NPASS Compound

Structure

CID250436 OpenBabel06191716052D 33 36 0 0 1 0 0 0 0 0999 V2000 -1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 2 0 0 0 0 3 9 2 0 0 0 0 3 15 1 0 0 0 0 4 9 1 0 0 0 0 4 16 2 0 0 0 0 5 10 2 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 17 2 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 24 1 0 0 0 0 13 19 2 0 0 0 0 13 25 1 0 0 0 0 14 19 1 0 0 0 0 14 26 1 0 0 0 0 15 20 2 0 0 0 0 15 27 1 0 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 17 32 1 0 0 0 0 18 21 1 0 0 0 0 18 33 1 6 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 21 8 1 6 0 0 0 21 32 1 0 0 0 0 22 31 2 0 0 0 0 22 33 1 0 0 0 0 M END $$$$

Physi-Chem Properties

Molecular Weight:	458.08
Volume:	425.17
LogP:	1.893
LogD:	0.652
LogS:	-3.917
# Rotatable Bonds:	4
TPSA:	197.37
# H-Bond Aceptor:	11
# H-Bond Donor:	8
# Rings:	4
# Heavy Atoms:	11

MedChem Properties

QED Drug-Likeness Score:	0.212
Synthetic Accessibility Score:	3.74
Fsp3:	0.136
Lipinski Rule-of-5:	Rejected
Pfizer Rule:	Accepted
GSK Rule:	Rejected
BMS Rule:	1
Golden Triangle Rule:	Accepted
Chelating Alert:	1
PAINS Alert:	1

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-6.717
MDCK Permeability:	5.047400463809026e-06
Pgp-inhibitor:	0.022
Pgp-substrate:	0.001
Human Intestinal Absorption (HIA):	0.809
20% Bioavailability (F20%):	1.0
30% Bioavailability (F30%):	1.0

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.006
Plasma Protein Binding (PPB):	88.24195098876953%
Volume Distribution (VD):	0.514
Pgp-substrate:	8.135579109191895%

ADMET: Metabolism

CYP1A2-inhibitor:	0.345
CYP1A2-substrate:	0.071
CYP2C19-inhibitor:	0.025
CYP2C19-substrate:	0.034
CYP2C9-inhibitor:	0.594
CYP2C9-substrate:	0.18
CYP2D6-inhibitor:	0.012
CYP2D6-substrate:	0.171
CYP3A4-inhibitor:	0.097
CYP3A4-substrate:	0.089

ADMET: Excretion

Clearance (CL):	14.45
Half-life (T1/2):	0.933

ADMET: Toxicity

hERG Blockers:	0.141
Human Hepatotoxicity (H-HT):	0.365
Drug-inuced Liver Injury (DILI):	0.941
AMES Toxicity:	0.261
Rat Oral Acute Toxicity:	0.042
Maximum Recommended Daily Dose:	0.208
Skin Sensitization:	0.969
Carcinogencity:	0.034
Eye Corrosion:	0.003
Eye Irritation:	0.936
Respiratory Toxicity:	0.021

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs

Natural Product: NPC250436

Natural Product ID:	NPC250436
*Common Name:**	Epigalocatechin Gallate
IUPAC Name:	[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Synonyms:	(-)-Epigallocatechin Gallate
Standard InCHIKey:	WMBWREPUVVBILR-WIYYLYMNSA-N
Standard InCHI:	InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
SMILES:	c1c(cc(c(c1O)O)O)[C@@H]1[C@@H](Cc2c(cc(cc2O1)O)O)OC(=O)c1cc(c(c(c1)O)O)O
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL297453
PubChem CID:	65064
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000261] Phenylpropanoids and polyketides [CHEMONTID:0000334] Flavonoids [CHEMONTID:0000337] Flavans [CHEMONTID:0003012] Flavan-3-ols [CHEMONTID:0001584] Catechins [CHEMONTID:0001587] Catechin gallates

*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	n.a.	n.a.	n.a.	DOI[10.1016/j.foodchem.2013.08.121]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	Flowers	n.a.	n.a.	DOI[10.1016/j.foodcont.2014.02.001]
NPO17774	Hemerocallis fulva	Species	Xanthorrhoeaceae	Eukaryota	Flowers	n.a.	n.a.	DOI[10.1016/j.lwt.2014.11.023]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	leaf	n.a.	DOI[10.1016/S0031-9422(01)00320-X]
NPO4240	Elephantopus tomentosus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[10075766]
NPO25715	Senna siamea	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[10757709]
NPO16519	Persea americana	Species	Lauraceae	Eukaryota	n.a.	fruit	n.a.	PMID[10820058]
NPO2130	Ehretia dicksonii	Species	Ehretiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[10830513]
NPO2130	Ehretia dicksonii	Species	Ehretiaceae	Eukaryota	n.a.	leaf	n.a.	PMID[10830513]
NPO2130	Ehretia dicksonii	Species	Ehretiaceae	Eukaryota	n.a.	twig	n.a.	PMID[10830513]
NPO20523	Bacillus subtilis	Species	Bacillaceae	Bacteria	n.a.	n.a.	n.a.	PMID[11112781]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	leaf	n.a.	PMID[11738417]
NPO13332	Tacca chantrieri	Species	Taccaceae	Eukaryota	rhizomes	SiMao City, Yunnan Province, China	1996-OCT	PMID[11908966]
NPO19472	Thymus vulgaris	Species	Lamiaceae	Eukaryota	Leaves	n.a.	n.a.	PMID[12088434]
NPO6774	Khaya senegalensis	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12193039]
NPO28005	Panax japonicus	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[12350149]
NPO13332	Tacca chantrieri	Species	Taccaceae	Eukaryota	Rhizomes	n.a.	n.a.	PMID[12350150]
NPO2358	Manilkara zapota	Species	Sapotaceae	Eukaryota	Fruits	n.a.	n.a.	PMID[12880319]
NPO20523	Bacillus subtilis	Species	Bacillaceae	Bacteria	n.a.	n.a.	n.a.	PMID[153409]
NPO658	Leucopaxillus gentianeus	Species	Tricholomataceae	Eukaryota	n.a.	n.a.	n.a.	PMID[15568769]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	Flowers	n.a.	n.a.	PMID[16180814]
NPO40808	Daucus Carota	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[16180819]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	Fruits	n.a.	n.a.	PMID[16309325]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	seeds	Shizuoka prefecture, Japan	n.a.	PMID[16499314]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	n.a.	Seoul, Korea	2000-Jun	PMID[16643034]
NPO22423	Microtropis fokienensis	Species	Celastraceae	Eukaryota	stem	n.a.	n.a.	PMID[16643054]
NPO2211	Solanum nigrum	Species	Solanaceae	Eukaryota	Whole plant	n.a.	steroidal saponins	PMID[16933867]
NPO22423	Microtropis fokienensis	Species	Celastraceae	Eukaryota	leaves	n.a.	n.a.	PMID[17125218]
NPO658	Leucopaxillus gentianeus	Species	Tricholomataceae	Eukaryota	fruiting bodies	n.a.	n.a.	PMID[17190463]
NPO22423	Microtropis fokienensis	Species	Celastraceae	Eukaryota	n.a.	root	n.a.	PMID[17315960]
NPO22423	Microtropis fokienensis	Species	Celastraceae	Eukaryota	roots	n.a.	n.a.	PMID[17315960]
NPO25715	Senna siamea	Species	Fabaceae	Eukaryota	n.a.	leaf	n.a.	PMID[17685627]
NPO28092	Xyris pterygoblephara	Species	Xyridaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[17870137]
NPO138	Daphniphyllum paxianum	Species	Daphniphyllaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[17887722]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18068204]
NPO4240	Elephantopus tomentosus	Species	Asteraceae	Eukaryota	n.a.	stem	n.a.	PMID[18239317]
NPO4240	Elephantopus tomentosus	Species	Asteraceae	Eukaryota	n.a.	root	n.a.	PMID[18239317]
NPO28092	Xyris pterygoblephara	Species	Xyridaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18462007]
NPO6249	Garcinia mangostana	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18464091]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	fruit	n.a.	n.a.	PMID[18505286]
NPO6249	Garcinia mangostana	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18558747]
NPO22423	Microtropis fokienensis	Species	Celastraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18590313]
NPO22791	Astraeus pteridis	Species	Astraeaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19067555]
NPO21036	Celaenodendron mexicanum	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[19299148]
NPO6249	Garcinia mangostana	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19299148]
NPO15316	Hibiscus sabdariffa	Species	Malvaceae	Eukaryota	Flowers	n.a.	n.a.	PMID[19301817]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	fruit	n.a.	n.a.	PMID[19650637]
NPO6249	Garcinia mangostana	Species	Clusiaceae	Eukaryota	stem bark	Pangradin village, Jasinga, West Java, Indonesia	2005-AUG	PMID[19839614]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	Flowers	n.a.	n.a.	PMID[20467822]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20476749]
NPO13332	Tacca chantrieri	Species	Taccaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20715765]
NPO28265	Morus alba	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20815207]
NPO6249	Garcinia mangostana	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[20817450]
NPO23452	Parapiptadenia rigida	Species	Fabaceae	Eukaryota	n.a.	bark	n.a.	PMID[21080642]
NPO23452	Parapiptadenia rigida	Species	Fabaceae	Eukaryota	bark	Santa Maria, Rio Grande do Sul, Brazil	2007-OCT	PMID[21080642]
NPO28265	Morus alba	Species	Moraceae	Eukaryota	n.a.	bark	n.a.	PMID[21319773]
NPO28265	Morus alba	Species	Moraceae	Eukaryota	n.a.	root	n.a.	PMID[21319773]
NPO28265	Morus alba	Species	Moraceae	Eukaryota	n.a.	leaf	n.a.	PMID[21319773]
NPO1103	Dioscorea japonica	Species	Dioscoreaceae	Eukaryota	rhizomes	n.a.	n.a.	PMID[21353549]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21434603]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	fruit	n.a.	PMID[21462031]
NPO13504	Lotus japonicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21510636]
NPO15316	Hibiscus sabdariffa	Species	Malvaceae	Eukaryota	Flowers	n.a.	n.a.	PMID[21535810]
NPO23452	Parapiptadenia rigida	Species	Fabaceae	Eukaryota	n.a.	bark	n.a.	PMID[21553897]
NPO20523	Bacillus subtilis	Species	Bacillaceae	Bacteria	n.a.	n.a.	n.a.	PMID[21673922]
NPO19472	Thymus vulgaris	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[21707257]
NPO10149	Lespedeza bicolor	Species	Fabaceae	Eukaryota	roots	n.a.	n.a.	PMID[21911291]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	n.a.	flower	n.a.	PMID[21922925]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	flower buds	n.a.	n.a.	PMID[21925888]
NPO15316	Hibiscus sabdariffa	Species	Malvaceae	Eukaryota	Flowers	n.a.	n.a.	PMID[22178178]
NPO28265	Morus alba	Species	Moraceae	Eukaryota	n.a.	leaf	n.a.	PMID[22207282]
NPO3864	Hamamelis virginiana	Species	Hamamelidaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22216935]
NPO15316	Hibiscus sabdariffa	Species	Malvaceae	Eukaryota	Flowers	n.a.	n.a.	PMID[22280831]
NPO1346	Nerine bowdenii	Species	Amaryllidaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22312717]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	leaves	n.a.	n.a.	PMID[22377672]
NPO25322.1	Matricaria recutita	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[22682202]
NPO31026	Myrica rubra	Species	Myricaceae	Eukaryota	barks	n.a.	n.a.	PMID[23066712]
NPO25715	Senna siamea	Species	Fabaceae	Eukaryota	Stems	n.a.	n.a.	PMID[23078294]
NPO27826	Sinularia maxima	Species	Alcyoniidae	Eukaryota	n.a.	n.a.	n.a.	PMID[23200246]
NPO6774	Khaya senegalensis	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23210623]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	n.a.	leaf	n.a.	PMID[23265489]
NPO20523	Bacillus subtilis	Species	Bacillaceae	Bacteria	n.a.	n.a.	n.a.	PMID[23265519]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	fruits	n.a.	n.a.	PMID[23305920]
NPO20523	Bacillus subtilis	Species	Bacillaceae	Bacteria	n.a.	n.a.	n.a.	PMID[23317005]
NPO20523	Bacillus subtilis	Species	Bacillaceae	Bacteria	n.a.	n.a.	n.a.	PMID[23488669]
NPO25715	Senna siamea	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23513740]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	Leaves	Bandung, West Java, Indonesia		PMID[23621359]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	rhizome	n.a.	PMID[23713285]
NPO28265	Morus alba	Species	Moraceae	Eukaryota	n.a.	root	n.a.	PMID[23806866]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	flower buds	n.a.	n.a.	PMID[24063567]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	Roots	n.a.	n.a.	PMID[24461297]
NPO6249	Garcinia mangostana	Species	Clusiaceae	Eukaryota	n.a.	pericarp	n.a.	PMID[24555285]
NPO15316	Hibiscus sabdariffa	Species	Malvaceae	Eukaryota	Flowers	Kunming, China	n.a.	PMID[24621197]
NPO6249	Garcinia mangostana	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24717154]
NPO28265	Morus alba	Species	Moraceae	Eukaryota	n.a.	Konya, Turkey	2007-APR	PMID[24901948]
NPO28265	Morus alba	Species	Moraceae	Eukaryota	root bark	University of Veterinary and Pharmaceutical Sciences Brno (UVPS Brno), Brno, Czech Republic	2011-APR	PMID[24901948]
NPO28265	Morus alba	Species	Moraceae	Eukaryota	leaves	Chungbuk, Korea	n.a.	PMID[25935644]
NPO28265	Morus alba	Species	Moraceae	Eukaryota	n.a.	root	n.a.	PMID[25981820]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	rhizomes	n.a.	n.a.	PMID[26296476]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26305406]
NPO11877	Penicillium herquei	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[26848504]
NPO29719	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	Leaves	n.a.	n.a.	PMID[27140807]
NPO28265	Morus alba	Species	Moraceae	Eukaryota	n.a.	latex	n.a.	PMID[27294120]
NPO20523	Bacillus subtilis	Species	Bacillaceae	Bacteria	n.a.	n.a.	n.a.	PMID[27524650]
NPO5986	Ziziphus jujuba	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27617953]
NPO28005	Panax japonicus	Species	Araliaceae	Eukaryota	Roots	n.a.	n.a.	PMID[28006911]
NPO28005	Panax japonicus	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28202328]
NPO6165	Prunus salicina	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28202328]
NPO5986	Ziziphus jujuba	Species	Rhamnaceae	Eukaryota	Roots	n.a.	n.a.	PMID[28257196]
NPO8752	Xylaria cubensis	Species	Xylariaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28802670]
NPO20523	Bacillus subtilis	Species	Bacillaceae	Bacteria	n.a.	n.a.	n.a.	PMID[29115831]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	Rhizomes	n.a.	n.a.	PMID[29116780]
NPO14089	Hypericum ascyron	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30379546]
NPO28265	Morus alba	Species	Moraceae	Eukaryota	Root barks	n.a.	n.a.	PMID[3097265]
NPO21679	Nuphar lutea	Species	Nymphaeaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31182315]
NPO20523	Bacillus subtilis	Species	Bacillaceae	Bacteria	n.a.	n.a.	n.a.	PMID[31287310]
NPO14089	Hypericum ascyron	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31596079]
NPO10149	Lespedeza bicolor	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[31675225]
NPO3549	Euonymus maackii	Species	Celastraceae	Eukaryota	Seeds	n.a.	n.a.	PMID[31713425]
NPO26277	Euphorbia hirta	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32141299]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[32141747]
NPO29719	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	leaves	n.a.	n.a.	PMID[33127538]
NPO13332	Tacca chantrieri	Species	Taccaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[33253561]
NPO40667	Lamellodysidea cf. chlorea	Strain	Dysideidae	Eukaryota	n.a.	n.a.	n.a.	PMID[33269586]
NPO1831	Pseudodistoma arborescens	Species	Pseudodistomidae	Eukaryota	n.a.	n.a.	n.a.	PMID[8450325]
NPO11877	Penicillium herquei	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[8609085]
NPO6249	Garcinia mangostana	Species	Clusiaceae	Eukaryota	fruit hulls	Madras, Tamil Nadu, India	1993-MAR	PMID[9213587]
NPO16519	Persea americana	Species	Lauraceae	Eukaryota	Unripe fruit	n.a.	n.a.	PMID[9644064]
NPO29719	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	fresh sarcotestas	Kwanak Campus of Seoul National University, Seoul, Korea	1996-Sep	PMID[9677265]
NPO29719	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	leaves	St. Louis	1996-SEP	PMID[9834151]
NPO29719	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[9834158]
NPO6249	Garcinia mangostana	Species	Clusiaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO16519	Persea americana	Species	Lauraceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	Stem	n.a.	n.a.	Database[FooDB]
NPO16519	Persea americana	Species	Lauraceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO19472	Thymus vulgaris	Species	Lamiaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO29719	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	Wood	n.a.	n.a.	Database[FooDB]
NPO29719	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO4594	Vitellaria paradoxa	Species	Sapotaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO19472	Thymus vulgaris	Species	Lamiaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO15316	Hibiscus sabdariffa	Species	Malvaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	n.a.	n.a.		Database[FooDB]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO25322.1	Matricaria recutita	Species	Asteraceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO16519	Persea americana	Species	Lauraceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO21679	Nuphar lutea	Species	Nymphaeaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	Leaf Essent. Oil	n.a.	n.a.	Database[FooDB]
NPO15316	Hibiscus sabdariffa	Species	Malvaceae	Eukaryota	Calyx	n.a.	n.a.	Database[FooDB]
NPO19472	Thymus vulgaris	Species	Lamiaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	Cotyledon	n.a.	n.a.	Database[FooDB]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO19472	Thymus vulgaris	Species	Lamiaceae	Eukaryota	Essential Oil	n.a.	n.a.	Database[FooDB]
NPO2358	Manilkara zapota	Species	Sapotaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO29719	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	Flower	n.a.	n.a.	Database[FooDB]
NPO29719	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO4594	Vitellaria paradoxa	Species	Sapotaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO29719	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO15316	Hibiscus sabdariffa	Species	Malvaceae	Eukaryota	Flower	n.a.	n.a.	Database[FooDB]
NPO15316	Hibiscus sabdariffa	Species	Malvaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO15316	Hibiscus sabdariffa	Species	Malvaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO6249	Garcinia mangostana	Species	Clusiaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO2358	Manilkara zapota	Species	Sapotaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	Seed	n.a.	n.a.	Database[FooDB]
NPO2358	Manilkara zapota	Species	Sapotaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO4969	Sesbania bispinosa	Species	Fabaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	Seed Oil	n.a.	n.a.	Database[FooDB]
NPO16519	Persea americana	Species	Lauraceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO15316	Hibiscus sabdariffa	Species	Malvaceae	Eukaryota	Fruit	n.a.	n.a.	Database[FooDB]
NPO6249	Garcinia mangostana	Species	Clusiaceae	Eukaryota		n.a.	n.a.	Database[FooDB]
NPO19472	Thymus vulgaris	Species	Lamiaceae	Eukaryota	Shoot	n.a.	n.a.	Database[FooDB]
NPO2358	Manilkara zapota	Species	Sapotaceae	Eukaryota	Latex Exudate	n.a.	n.a.	Database[FooDB]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	Shoot	n.a.	n.a.	Database[FooDB]
NPO19472	Thymus vulgaris	Species	Lamiaceae	Eukaryota	Leaf	n.a.	n.a.	Database[FooDB]
NPO15316	Hibiscus sabdariffa	Species	Malvaceae	Eukaryota	Stem	n.a.	n.a.	Database[FooDB]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO19472	Thymus vulgaris	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5723	Quercus robur	Species	Fagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO25774	Virola multinervia	Species	Myristicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4240	Elephantopus tomentosus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO9153	Sorbaria sorbifolia	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO22230	Rhodiola crenulata	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5986	Ziziphus jujuba	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO10149	Lespedeza bicolor	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO1103	Dioscorea japonica	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO2211	Solanum nigrum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO963	Litsea pungens	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO11771	Strophanthus kombe	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO14089	Hypericum ascyron	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO3864	Hamamelis virginiana	Species	Hamamelidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO20715	Astragalus cibarius	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO27754	Rubia oncotricha	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO8127	Veronica arvensis	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO6165	Prunus salicina	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO16519	Persea americana	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO28265	Morus alba	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO6249	Garcinia mangostana	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO31026	Myrica rubra	Species	Myricaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO26277	Euphorbia hirta	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13907	Senecio renardii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO17774	Hemerocallis fulva	Species	Xanthorrhoeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO5054	Limonium gmelinii	Species	Plumbaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO16519	Persea americana	Species	Lauraceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO19472	Thymus vulgaris	Species	Lamiaceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO25322.1	Matricaria recutita	Species	Asteraceae	Eukaryota	n.a.	n.a.		Database[Phenol-Explorer]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO6249	Garcinia mangostana	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO26277	Euphorbia hirta	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5054	Limonium gmelinii	Species	Plumbaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1334	Senegalia catechu	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO20715	Astragalus cibarius	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5723	Quercus robur	Species	Fagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3864	Hamamelis virginiana	Species	Hamamelidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25774	Virola multinervia	Species	Myristicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO17774	Hemerocallis fulva	Species	Xanthorrhoeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1103	Dioscorea japonica	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13907	Senecio renardii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO19472	Thymus vulgaris	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8127	Veronica arvensis	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO6622	Artemisia klotzchiana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO19984	Turpinia ternata	Species	Staphyleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9153	Sorbaria sorbifolia	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO6165	Prunus salicina	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO11771	Strophanthus kombe	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO2211	Solanum nigrum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3549	Euonymus maackii	Species	Celastraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3440	Folium camelliae sinensis	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCMID]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13332	Tacca chantrieri	Species	Taccaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO21679	Nuphar lutea	Species	Nymphaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO28265	Morus alba	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO963	Litsea pungens	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO25715	Senna siamea	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO10149	Lespedeza bicolor	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO5986	Ziziphus jujuba	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3199	Balanophora involucrata	Species	Balanophoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO16519	Persea americana	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO10613	Thalictrum longistylum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO27754	Rubia oncotricha	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4240	Elephantopus tomentosus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22230	Rhodiola crenulata	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO14089	Hypericum ascyron	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO9153	Sorbaria sorbifolia	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO6165	Prunus salicina	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO11771	Strophanthus kombe	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO31026	Myrica rubra	Species	Myricaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO5986	Ziziphus jujuba	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO963	Litsea pungens	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO28005	Panax japonicus	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO28265	Morus alba	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO22230	Rhodiola crenulata	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO14089	Hypericum ascyron	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO5054	Limonium gmelinii	Species	Plumbaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO2211	Solanum nigrum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO3864	Hamamelis virginiana	Species	Hamamelidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO10149	Lespedeza bicolor	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO19472	Thymus vulgaris	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO17774	Hemerocallis fulva	Species	Xanthorrhoeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO5986	Ziziphus jujuba	Species	Rhamnaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO26277	Euphorbia hirta	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO1334	Senegalia catechu	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO22230	Rhodiola crenulata	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO19472	Thymus vulgaris	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO17774	Hemerocallis fulva	Species	Xanthorrhoeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO1103	Dioscorea japonica	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO28005	Panax japonicus	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO2211	Solanum nigrum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO28265	Morus alba	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO12069	Isaria felina	Species	Cordycipitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13002	Petasites georgicus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8492	Viburnum urceolatum	Species	Adoxaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11949	Iris ensata	Species	Iridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14289	Pieris napi	Species	Pieridae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19969	Dermocybe canaria	Species	Cortinariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9669	Dictyopteris acrostichoides	Species	Dictyotaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6774	Khaya senegalensis	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO24327	Machilus macrantha	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28173	Boronia coerulescens	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20715	Astragalus cibarius	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5735	Solidago serotina	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18828	Iryanthera coriacea	Species	Myristicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20523	Bacillus subtilis	Species	Bacillaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO3112	Honorius nutans	Species	Hyacinthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26277	Euphorbia hirta	Species	Euphorbiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11877	Penicillium herquei	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28265	Morus alba	Species	Moraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10389	Larix cajanderi	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27848	Conoideocrella luteorostrata	Species	Clavicipitaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23452	Parapiptadenia rigida	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2358	Manilkara zapota	Species	Sapotaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3549	Euonymus maackii	Species	Celastraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8258	Camellia sinensis	Species	Theaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4594	Vitellaria paradoxa	Species	Sapotaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7347	Viguiera oblongifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28005	Panax japonicus	Species	Araliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10865	Sextonia rubra	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8808	Artemisia schimperi	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28104	Streptomyces hachijoensis	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO21255	Hymenoxys insignis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10012	Triaenophora rupestris	Species	Orobanchaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11823	Marine actinobacterium	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO1661	Bartramia pomiformis	Species	Bartramiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11657	Angelica lucida	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO658	Leucopaxillus gentianeus	Species	Tricholomataceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28212	Ilex purpurea	Species	Aquifoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22791	Astraeus pteridis	Species	Astraeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10613	Thalictrum longistylum	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2130	Ehretia dicksonii	Species	Ehretiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1831	Pseudodistoma arborescens	Species	Pseudodistomidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO16519	Persea americana	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13076	Cephalaria grossheimii	Species	Caprifoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13907	Senecio renardii	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9252	Adina sessilifolia	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25715	Senna siamea	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1346	Nerine bowdenii	Species	Amaryllidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6179	Aframomum amaniense	Species	Zingiberaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21036	Celaenodendron mexicanum	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO3199	Balanophora involucrata	Species	Balanophoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21918	Aconitum heterophylloides	Species	Ranunculaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28092	Xyris pterygoblephara	Species	Xyridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12910	Ixeris stolonifera	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO26293	Ginkgo biloba	Species	Ginkgoaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13701	Melaleuca rhaphiophylla	Species	Myrtaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25322.1	Matricaria recutita	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO10149	Lespedeza bicolor	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6622	Artemisia klotzchiana	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7169	Nama hispidum	Species	Namaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO20604	Cneoridium dumosum	Species	Rutaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8752	Xylaria cubensis	Species	Xylariaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9518	Gardenia jasminoides	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13332	Tacca chantrieri	Species	Taccaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11558	Atylosia trinervia	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7050	Picea mariana	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9153	Sorbaria sorbifolia	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25774	Virola multinervia	Species	Myristicaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8777	Euryops algoensis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12677	Penicillium kapuscinskii	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15316	Hibiscus sabdariffa	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8127	Veronica arvensis	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12317	Naja kaouthia	Species	Elapidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4240	Elephantopus tomentosus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO7752	Beilschmiedia anacardioides	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13472	Cotula cinerea	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1697	Bitis gabonica	Species	Viperidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1524	Rosa rugosa	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6259	Keiferia lycopersicella	Species	Gelechiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27826	Sinularia maxima	Species	Alcyoniidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6845	Mimusops caffra	Species	Sapotaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21164	Veratrum dahuricum	Species	Melanthiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1334	Senegalia catechu	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12414	Penicillium paxilli	Species	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14372	Melochia tomentosa	Species	Malvaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21679	Nuphar lutea	Species	Nymphaeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9404	Lejeunea pallescens	Species	Lejeuneaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19984	Turpinia ternata	Species	Staphyleaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3995	Limonium sinense	Species	Plumbaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11882	Cedrus libani	Species	Pinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1038	Phoenix loureiroi	Species	Arecaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO18859	Carica pennata	Species	Caricaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23494	Centaurea linifolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12893	Dermolepida albohirtum	Species	Scarabaeidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO19472	Thymus vulgaris	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13504	Lotus japonicus	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14504	Alectoria divergens	Species	Parmeliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO138	Daphniphyllum paxianum	Species	Daphniphyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3458	Lupinus verbasciformis	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9930	Dendrodoris tuberculosa	Species	Dendrodorididae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23614	Ovophis okinavensis	Species	Viperidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14564	Oophaga pumilio	Species	Dendrobatidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO23879	Serratula inermis	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12585	Craspidospermum verticillatum	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14089	Hypericum ascyron	Species	Hypericaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO3864	Hamamelis virginiana	Species	Hamamelidaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4969	Sesbania bispinosa	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11709	Salvia parryi	Species	Lamiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO17130	Hylotelephium telephium	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO25848	Oscillochloris trichoides	Species	Oscillochloridaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO12061	Justicia paniculata	Species	Acanthaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11771	Strophanthus kombe	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4544	Gomortega keule	Species	Gomortegaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1103	Dioscorea japonica	Species	Dioscoreaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5723	Quercus robur	Species	Fagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2211	Solanum nigrum	Species	Solanaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6165	Prunus salicina	Species	Rosaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12754	Cerinthe minor	Species	Boraginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22423	Microtropis fokienensis	Species	Celastraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14615	Streptomyces paulus	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO23954	Tridachia crispata	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[UNPD]
NPO17774	Hemerocallis fulva	Species	Xanthorrhoeaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO11934	Castanea vesca	Species	Fagaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28387	Acanthophyllum elatius	Species	Caryophyllaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28155	Perezia carpholepis	Species	Pereziidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO28329	Cereus candicans	Species	Sagartiidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21327	Ramalina stenospora	Species	Ramalinaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO963	Litsea pungens	Species	Lauraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO14200	Aristolochia zollingeriana	Species	Aristolochiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12081	Streptomyces xanthochromogenes	Species	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[UNPD]
NPO21542	Vernonia menthaefolia	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21498	Coccus ilicis	Species	Coccidae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12234	Khaya ivorensis	Species	Meliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO21956	Alyxia reinwardtii	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO27754	Rubia oncotricha	Species	Rubiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO6249	Garcinia mangostana	Species	Clusiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO5054	Limonium gmelinii	Species	Plumbaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22230	Rhodiola crenulata	Species	Crassulaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO8666	Acorus tatarinowii	Species	Acoraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]

☑ Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

NP Quantity Composition/Concentration

Organism ID	NP ID	Organism Material Preparation	Organism Part	NP Quantity (Standard)	NP Quantity (Minimum)	NP Quantity (Maximum)	Quantity Unit	Reference
NPO1524	NPC250436	n.a.	Flowers	131	n.a.	n.a.	mg rutin/g extract of DW	DOI[10.1016/j.foodcont.2014.02.001]
NPO17774	NPC250436	n.a.	Flowers	2.80-6.23	n.a.	n.a.	mg/g extract of DW	DOI[10.1016/j.lwt.2014.11.023]
NPO15316	NPC250436	n.a.	Flowers	2.798	n.a.	n.a.	mg/mL extract	PMID[19301817]
NPO16519	NPC250436	n.a.	n.a.	0.15	n.a.	n.a.	mg/100g of FW	Database [Phenol-Explorer]
NPO25322.1	NPC250436	n.a.	n.a.	0.78	n.a.	n.a.	mg/100mL	Database [Phenol-Explorer]

☑ Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

Biological Activity

Activity Type	# Activity
EC50	18
ED50	5
GI50	2
IC50	186
Kd	5
Ki	12
MIC	46
Others	405
Potency	62

Activity Type	# Activity
Cell Line	130
CELL-LINE	4
Individual Protein	174
LIPID	2
NON-MOLECULAR	22
Organism	195
Others	171
PROTEIN COMPLEX	28
PROTEIN FAMILY	4
Protein-Protein Interaction	1
SINGLE PROTEIN	22
Tissue	8

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT12	Individual Protein	Human immunodeficiency virus type 1 integrase	Human immunodeficiency virus 1	Inhibition	>	50.0	%	PMID[559060]
NPT459	Individual Protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	IC50	=	730.0	nM	PMID[559061]
NPT326	Individual Protein	Squalene monooxygenase	Rattus norvegicus	IC50	=	690.0	nM	PMID[559062]
NPT759	Cell Line	H9	Homo sapiens	IC50	=	8.0	ug.mL-1	PMID[559065]
NPT1332	Individual Protein	Fatty acid synthase	Plasmodium falciparum	IC50	=	400.0	nM	PMID[559066]
NPT1333	Individual Protein	Enoyl-acyl-carrier protein reductase	Plasmodium falciparum	IC50	=	200.0	nM	PMID[559066]
NPT1334	Individual Protein	"3-oxoacyl-acyl-carrier protein reductase"	Plasmodium falciparum	IC50	=	300.0	nM	PMID[559066]
NPT1333	Individual Protein	Enoyl-acyl-carrier protein reductase	Plasmodium falciparum	IC50	=	250.0	nM	PMID[559068]
NPT1573	Individual Protein	Enoyl-[acyl-carrier-protein] reductase	Escherichia coli K-12	IC50	=	15000.0	nM	PMID[559068]
NPT1333	Individual Protein	Enoyl-acyl-carrier protein reductase	Plasmodium falciparum	Ki	=	186.0	nM	PMID[559068]
NPT1333	Individual Protein	Enoyl-acyl-carrier protein reductase	Plasmodium falciparum	Ki	=	79.0	nM	PMID[559068]
NPT1333	Individual Protein	Enoyl-acyl-carrier protein reductase	Plasmodium falciparum	Ki	=	8.0	nM	PMID[559068]
NPT1335	Individual Protein	Glucose-6-phosphate 1-dehydrogenase	Saccharomyces cerevisiae S288c	IC50	=	250.0	nM	PMID[559074]
NPT1336	Individual Protein	"6-phosphogluconate dehydrogenase"	Homo sapiens	IC50	=	720.0	nM	PMID[559074]
NPT139	Cell Line	HT-29	Homo sapiens	T1/2	<	2.0	hr	PMID[559076]
NPT2818	Individual Protein	Dihydrofolate reductase	Homo sapiens	Activity	=	0.92	uM	PMID[559076]
NPT326	Individual Protein	Squalene monooxygenase	Rattus norvegicus	IC50	=	690.0	nM	PMID[559078]
NPT116	Cell Line	HL-60	Homo sapiens	IC50	=	9400.0	nM	PMID[559079]
NPT116	Cell Line	HL-60	Homo sapiens	Activity	=	45.0	%	PMID[559079]
NPT31	Individual Protein	Cyclooxygenase-2	Homo sapiens	Inhibition	=	13.0	%	PMID[559080]
NPT30	Individual Protein	Cyclooxygenase-1	Homo sapiens	Inhibition	=	51.0	%	PMID[559080]
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	70.0	%	PMID[559083]
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	80.0	%	PMID[559083]
NPT393	Cell Line	HCT-116	Homo sapiens	IC50	=	161000.0	nM	PMID[559087]
NPT660	Cell Line	SW480	Homo sapiens	IC50	=	195000.0	nM	PMID[559087]
NPT616	Cell Line	MDCK	Canis lupus familiaris	CC50	=	275000.0	nM	PMID[559088]
NPT137	Cell Line	L1210	Mus musculus	IC50	=	690000.0	nM	PMID[559089]
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Activity	=	20.1	%	PMID[559091]
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Activity	=	42.2	%	PMID[559091]
NPT519	Cell Line	SH-SY5Y	Homo sapiens	EC50	=	39.87	nM	PMID[559093]
NPT4016	Individual Protein	Matrix metalloproteinase 7	Homo sapiens	IC50	=	21500.0	nM	PMID[559095]
NPT4015	Individual Protein	Matrix metalloproteinase 14	Homo sapiens	IC50	=	6800.0	nM	PMID[559095]
NPT568	Individual Protein	Matrix metalloproteinase-2	Homo sapiens	IC50	=	9600.0	nM	PMID[559095]
NPT1337	Individual Protein	Hepatocyte growth factor receptor	Homo sapiens	IC50	=	10000.0	nM	PMID[559098]
NPT1337	Individual Protein	Hepatocyte growth factor receptor	Homo sapiens	Ki	=	3300.0	nM	PMID[559098]
NPT279	Individual Protein	Leukocyte elastase	Homo sapiens	Inhibition	=	26.6	%	PMID[559099]
NPT279	Individual Protein	Leukocyte elastase	Homo sapiens	Inhibition	=	41.3	%	PMID[559099]
NPT279	Individual Protein	Leukocyte elastase	Homo sapiens	Inhibition	=	63.6	%	PMID[559099]
NPT279	Individual Protein	Leukocyte elastase	Homo sapiens	Inhibition	=	71.4	%	PMID[559099]
NPT279	Individual Protein	Leukocyte elastase	Homo sapiens	Inhibition	=	78.4	%	PMID[559099]
NPT279	Individual Protein	Leukocyte elastase	Homo sapiens	IC50	=	12800.0	nM	PMID[559099]
NPT1332	Individual Protein	Fatty acid synthase	Plasmodium falciparum	IC50	=	0.03	ug.mL-1	PMID[559110]
NPT1334	Individual Protein	"3-oxoacyl-acyl-carrier protein reductase"	Plasmodium falciparum	IC50	=	0.32	ug.mL-1	PMID[559110]
NPT47	Individual Protein	ATP-dependent DNA helicase Q1	Homo sapiens	Potency	=	3162.3	nM	PMID[559111]
NPT48	Individual Protein	Lysine-specific demethylase 4D-like	Homo sapiens	Potency	=	8912.5	nM	PMID[559111]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	=	316.2	nM	PMID[559111]
NPT51	Individual Protein	Microtubule-associated protein tau	Homo sapiens	Potency	=	14125.4	nM	PMID[559111]
NPT51	Individual Protein	Microtubule-associated protein tau	Homo sapiens	Potency	=	12589.3	nM	PMID[559111]
NPT52	Individual Protein	Pyruvate kinase isozymes M1/M2	Homo sapiens	Potency	=	3981.1	nM	PMID[559111]
NPT3	Individual Protein	Thioredoxin glutathione reductase	Schistosoma mansoni	Potency	=	11220.2	nM	PMID[559111]
NPT53	Individual Protein	"4'-phosphopantetheinyl transferase ffp"	Bacillus subtilis	Potency	=	11220.2	nM	PMID[559111]
NPT51	Individual Protein	Microtubule-associated protein tau	Homo sapiens	Potency	=	25118.9	nM	PMID[559111]
NPT55	Individual Protein	Putative fructose-1,6-bisphosphate aldolase	Giardia intestinalis	Potency	=	14091.9	nM	PMID[559111]
NPT60	Individual Protein	Lysosomal alpha-glucosidase	Homo sapiens	Potency	=	3981.1	nM	PMID[559111]
NPT59	Individual Protein	DNA polymerase beta	Homo sapiens	Potency	=	446.7	nM	PMID[559111]
NPT189	Cell Line	Vero	Chlorocebus aethiops	Inhibition	=	80.0	%	PMID[559113]
NPT306	Cell Line	PC-3	Homo sapiens	Inhibition	=	32.0	%	PMID[559114]
NPT886	Cell Line	NIH3T3	Mus musculus	Activity	=	59.5	%	PMID[559115]
NPT283	Individual Protein	MAP kinase p38 alpha	Homo sapiens	IC50	=	2210.0	nM	PMID[559115]
NPT5	Individual Protein	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Homo sapiens	Potency	n.a.	1778.3	nM	PMID[559111]
NPT63	Individual Protein	Bromodomain adjacent to zinc finger domain protein 2B	Homo sapiens	Potency	n.a.	8912.5	nM	PMID[559111]
NPT116	Cell Line	HL-60	Homo sapiens	Activity	=	2.6	%	PMID[559116]
NPT116	Cell Line	HL-60	Homo sapiens	Activity	=	2.7	%	PMID[559116]
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	3.5	%	PMID[559116]
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	3.8	%	PMID[559116]
NPT116	Cell Line	HL-60	Homo sapiens	Activity	=	4.2	%	PMID[559116]
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	4.5	%	PMID[559116]
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	5.1	%	PMID[559116]
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	5.3	%	PMID[559116]
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	5.4	%	PMID[559116]
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	5.9	%	PMID[559116]
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	6.7	%	PMID[559116]
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	7.7	%	PMID[559116]
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	7.8	%	PMID[559116]
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	8.5	%	PMID[559116]
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	13.0	%	PMID[559116]
NPT111	Cell Line	K562	Homo sapiens	Activity	=	14.3	%	PMID[559116]
NPT80	Cell Line	Raji	Homo sapiens	Activity	=	14.9	%	PMID[559116]
NPT116	Cell Line	HL-60	Homo sapiens	Activity	=	45.9	%	PMID[559116]
NPT116	Cell Line	HL-60	Homo sapiens	Activity	=	49.2	%	PMID[559116]
NPT113	Cell Line	RAW264.7	Mus musculus	IC50	=	29800.0	nM	PMID[559119]
NPT46	Individual Protein	Thyroid hormone receptor beta-1	Homo sapiens	Potency	n.a.	28183.8	nM	PMID[559121]
NPT484	Individual Protein	Luciferin 4-monooxygenase	Photinus pyralis	Potency	n.a.	21331.3	nM	PMID[559111]
NPT616	Cell Line	MDCK	Canis lupus familiaris	TD50	=	45.5	uM	PMID[559122]
NPT3114	Individual Protein	Dual-specificity tyrosine-phosphorylation regulated kinase 1A	Homo sapiens	IC50	=	13440.0	nM	PMID[559123]
NPT3114	Individual Protein	Dual-specificity tyrosine-phosphorylation regulated kinase 1A	Homo sapiens	Inhibition	=	47.6	%	PMID[559123]
NPT113	Cell Line	RAW264.7	Mus musculus	Inhibition	=	70.0	%	PMID[559124]
NPT113	Cell Line	RAW264.7	Mus musculus	Inhibition	=	75.0	%	PMID[559124]
NPT113	Cell Line	RAW264.7	Mus musculus	Inhibition	=	90.0	%	PMID[559124]
NPT681	Cell Line	PC-12	Rattus norvegicus	Activity	=	65.4	%	PMID[559128]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	Inhibition	=	20.1	%	PMID[559130]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	Inhibition	=	51.3	%	PMID[559130]
NPT2752	Individual Protein	DNA (cytosine-5)-methyltransferase 1	Homo sapiens	Inhibition	=	42.0	%	PMID[559131]
NPT3701	Individual Protein	CpG DNA methylase	Spiroplasma monobiae	Ki	=	28.0	nM	PMID[559131]
NPT134	Cell Line	SK-BR-3	Homo sapiens	IC50	=	149000.0	nM	PMID[559133]
NPT286	Individual Protein	Receptor protein-tyrosine kinase erbB-2	Homo sapiens	Inhibition	=	18.0	%	PMID[559133]
NPT163	Individual Protein	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens	Potency	n.a.	12589.3	nM	PMID[559121]
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	27306.0	nM	PMID[559121]
NPT65	Cell Line	HepG2	Homo sapiens	Imax	=	54.2	%	PMID[559134]
NPT65	Cell Line	HepG2	Homo sapiens	Imax	=	40.2	%	PMID[559134]
NPT65	Cell Line	HepG2	Homo sapiens	Activity	>	200.0	uM	PMID[559134]
NPT65	Cell Line	HepG2	Homo sapiens	IC30	=	6.3	uM	PMID[559134]
NPT65	Cell Line	HepG2	Homo sapiens	IC30	=	26.2	uM	PMID[559134]
NPT134	Cell Line	SK-BR-3	Homo sapiens	IC50	=	150000.0	nM	PMID[559136]
NPT3141	Individual Protein	Fatty acid synthase	Gallus gallus	IC50	=	100000.0	nM	PMID[559136]
NPT3141	Individual Protein	Fatty acid synthase	Gallus gallus	IC50	=	52000.0	nM	PMID[559136]
NPT66	Individual Protein	Acetylcholinesterase	Electrophorus electricus	Inhibition	=	-14.31	%	PMID[559137]
NPT144	Individual Protein	Telomerase reverse transcriptase	Homo sapiens	Ratio IC50	=	10.56	n.a.	PMID[559138]
NPT144	Individual Protein	Telomerase reverse transcriptase	Homo sapiens	Ratio IC50	=	8.16	n.a.	PMID[559138]
NPT144	Individual Protein	Telomerase reverse transcriptase	Homo sapiens	Imax	=	80.0	%	PMID[559138]
NPT144	Individual Protein	Telomerase reverse transcriptase	Homo sapiens	IC50	=	1000.0	nM	PMID[559138]
NPT144	Individual Protein	Telomerase reverse transcriptase	Homo sapiens	IC50	=	1080.0	nM	PMID[559138]
NPT144	Individual Protein	Telomerase reverse transcriptase	Homo sapiens	IC50	=	1180.0	nM	PMID[559138]
NPT3703	Individual Protein	DNA topoisomerase 2	Saccharomyces cerevisiae S288c	IC50	=	3000000.0	nM	PMID[559139]
NPT681	Cell Line	PC-12	Rattus norvegicus	FC	=	6.0	n.a.	PMID[559141]
NPT519	Cell Line	SH-SY5Y	Homo sapiens	FC	=	6.0	n.a.	PMID[559141]
NPT784	Cell Line	MDA-MB-468	Homo sapiens	Inhibition	=	3.0	%	PMID[559141]
NPT784	Cell Line	MDA-MB-468	Homo sapiens	GI	=	15.0	%	PMID[559141]
NPT146	Cell Line	SK-OV-3	Homo sapiens	FC	>	2.0	n.a.	PMID[559141]
NPT604	Individual Protein	Serum albumin	Homo sapiens	Activity	=	85.2	%	PMID[559142]
NPT604	Individual Protein	Serum albumin	Homo sapiens	Activity	=	68.7	%	PMID[559142]
NPT1161	Cell Line	CHO	Cricetulus griseus	Activity	=	9.0	%	PMID[559144]
NPT604	Individual Protein	Serum albumin	Homo sapiens	Activity	=	85.0	%	PMID[559144]
NPT604	Individual Protein	Serum albumin	Homo sapiens	Activity	=	99.0	%	PMID[559144]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	3200.0	nM	PMID[559144]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	7700.0	nM	PMID[559144]
NPT1161	Cell Line	CHO	Cricetulus griseus	FC	=	85.0	n.a.	PMID[559144]
NPT1161	Cell Line	CHO	Cricetulus griseus	FC	=	35.0	n.a.	PMID[559144]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	=	271000.0	nM	PMID[559144]
NPT520	Cell Line	"3T3-L1"	Mus musculus	Activity	=	54.5	%	PMID[559145]
NPT520	Cell Line	"3T3-L1"	Mus musculus	Activity	=	81.9	%	PMID[559145]
NPT520	Cell Line	"3T3-L1"	Mus musculus	Activity	=	94.9	%	PMID[559145]
NPT520	Cell Line	"3T3-L1"	Mus musculus	IC50	=	112000.0	nM	PMID[559147]
NPT51	Individual Protein	Microtubule-associated protein tau	Homo sapiens	IC50	=	1800.0	nM	PMID[559148]
NPT279	Individual Protein	Leukocyte elastase	Homo sapiens	Inhibition	=	88.17	%	PMID[559149]
NPT1893	Cell Line	MEF	Mus musculus	GI50	=	14000.0	nM	PMID[559150]
NPT1893	Cell Line	MEF	Mus musculus	GI50	=	7000.0	nM	PMID[559150]
NPT5434	Individual Protein	"3-oxoacyl-(Acyl-carrier protein) reductase"	Plasmodium falciparum (isolate 3D7)	IC50	=	320.0	nM	PMID[559152]
NPT1332	Individual Protein	Fatty acid synthase	Plasmodium falciparum	IC50	=	30.0	nM	PMID[559152]
NPT3114	Individual Protein	Dual-specificity tyrosine-phosphorylation regulated kinase 1A	Homo sapiens	IC50	=	330.0	nM	PMID[559156]
NPT5435	Individual Protein	"40S ribosomal protein SA"	Homo sapiens	Inhibition	=	47.0	%	PMID[559157]
NPT762	Cell Line	A-431	Homo sapiens	Activity	=	30.0	%	PMID[559157]
NPT762	Cell Line	A-431	Homo sapiens	Activity	=	80.0	%	PMID[559157]
NPT134	Cell Line	SK-BR-3	Homo sapiens	Activity	=	40.0	%	PMID[559157]
NPT134	Cell Line	SK-BR-3	Homo sapiens	Ratio EC50	=	2.0	n.a.	PMID[559157]
NPT762	Cell Line	A-431	Homo sapiens	Ratio EC50	=	2.0	n.a.	PMID[559157]
NPT762	Cell Line	A-431	Homo sapiens	EC50	=	38000.0	nM	PMID[559157]
NPT762	Cell Line	A-431	Homo sapiens	EC50	=	266000.0	nM	PMID[559157]
NPT37	Individual Protein	Signal transducer and activator of transcription 1-alpha/beta	Homo sapiens	Kd	=	700.0	nM	PMID[559159]
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	61130.6	nM	PMID[559121]
NPT49	Individual Protein	DNA-(apurinic or apyrimidinic site) lyase	Homo sapiens	Potency	n.a.	891.3	nM	PMID[559111]
NPT1429	Individual Protein	Heat shock protein HSP 90-beta	Homo sapiens	IC50	=	155000.0	nM	PMID[559160]
NPT3909	Individual Protein	Beta-secretase 1	Mus musculus	Activity	=	57.23	%	PMID[559162]
NPT144	Individual Protein	Telomerase reverse transcriptase	Homo sapiens	IC50	=	1000.0	nM	PMID[559163]
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Activity	=	96.2	%	PMID[559164]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	76100.0	nM	PMID[559165]
NPT3836	Individual Protein	Intercellular adhesion molecule-1	Homo sapiens	Inhibition	=	85.0	%	PMID[559166]
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Activity	=	16.57	%	PMID[559167]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	74000.0	nM	PMID[559171]
NPT2752	Individual Protein	DNA (cytosine-5)-methyltransferase 1	Homo sapiens	IC50	=	500.0	nM	PMID[559174]
NPT1460	Cell Line	L929	Mus musculus	IC50	=	82300.0	nM	PMID[559176]
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Activity	=	80.8	%	PMID[559181]
NPT1580	Individual Protein	Salivary alpha-amylase	Homo sapiens	IC50	=	1400000.0	nM	PMID[559184]
NPT1125	Cell Line	T98G	Homo sapiens	IC50	=	166000.0	nM	PMID[559187]
NPT1079	Individual Protein	Histone acetyltransferase p300	Homo sapiens	IC50	=	30000.0	nM	PMID[559188]
NPT1834	Individual Protein	CREB-binding protein	Homo sapiens	IC50	=	50000.0	nM	PMID[559188]
NPT1080	Individual Protein	Histone acetyltransferase PCAF	Homo sapiens	IC50	=	60000.0	nM	PMID[559188]
NPT4248	Individual Protein	Histone acetyltransferase KAT5	Homo sapiens	IC50	=	70000.0	nM	PMID[559188]
NPT65	Cell Line	HepG2	Homo sapiens	Activity	=	33.1	%	PMID[559189]
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Activity	=	98.6	%	PMID[559190]
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Activity	=	99.0	%	PMID[559191]
NPT616	Cell Line	MDCK	Canis lupus familiaris	CC50	=	275400.0	nM	PMID[559193]
NPT1166	Individual Protein	Angiotensin-converting enzyme	Homo sapiens	Inhibition	=	82.02	%	PMID[559199]
NPT1535	Cell Line	U-87 MG	Homo sapiens	Activity	=	98.0	%	PMID[559205]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	Activity	=	99.0	%	PMID[559205]
NPT461	Cell Line	PANC-1	Homo sapiens	Activity	=	95.0	%	PMID[559205]
NPT1081	Cell Line	BXPC-3	Homo sapiens	Activity	=	97.0	%	PMID[559205]
NPT397	Cell Line	NCI-H460	Homo sapiens	Activity	=	105.0	%	PMID[559205]
NPT81	Cell Line	A549	Homo sapiens	Activity	=	103.0	%	PMID[559205]
NPT139	Cell Line	HT-29	Homo sapiens	Activity	=	96.0	%	PMID[559205]
NPT396	Cell Line	T47D	Homo sapiens	Activity	=	100.0	%	PMID[559205]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	Activity	=	102.0	%	PMID[559205]
NPT1535	Cell Line	U-87 MG	Homo sapiens	IC50	=	18000.0	nM	PMID[559205]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	IC50	=	31000.0	nM	PMID[559205]
NPT461	Cell Line	PANC-1	Homo sapiens	IC50	=	62000.0	nM	PMID[559205]
NPT1081	Cell Line	BXPC-3	Homo sapiens	IC50	=	33000.0	nM	PMID[559205]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	29000.0	nM	PMID[559205]
NPT397	Cell Line	NCI-H460	Homo sapiens	IC50	=	18000.0	nM	PMID[559205]
NPT139	Cell Line	HT-29	Homo sapiens	IC50	=	60000.0	nM	PMID[559205]
NPT396	Cell Line	T47D	Homo sapiens	IC50	=	57000.0	nM	PMID[559205]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	83000.0	nM	PMID[559205]
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	33600.0	nM	PMID[559205]
NPT2410	Cell Line	NCI-H1299	Homo sapiens	IC50	>	80000.0	nM	PMID[559206]
NPT1592	Individual Protein	Dipeptidyl peptidase IV	Homo sapiens	IC50	=	10210.0	nM	PMID[559207]
NPT3114	Individual Protein	Dual-specificity tyrosine-phosphorylation regulated kinase 1A	Homo sapiens	IC50	=	330.0	nM	PMID[559208]
NPT1612	Individual Protein	MAP kinase-activated protein kinase 5	Homo sapiens	IC50	=	1000.0	nM	PMID[559208]
NPT134	Cell Line	SK-BR-3	Homo sapiens	IC50	=	4000.0	nM	PMID[559211]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	4000.0	nM	PMID[559211]
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Activity	=	92.5	%	PMID[559213]
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Activity	=	63.0	%	PMID[559213]
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Activity	=	60.1	%	PMID[559213]
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Activity	=	87.2	%	PMID[559216]
NPT389	Cell Line	RPMI-8226	Homo sapiens	Activity	>	100.0	%	PMID[559219]
NPT2015	Cell Line	U-266	Homo sapiens	IC50	=	23200.0	nM	PMID[559219]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	74000.0	nM	PMID[559222]
NPT5536	Individual Protein	Sarcoplasmic/endoplasmic reticulum calcium ATP-ase	Oryctolagus cuniculus	IC50	=	12000.0	nM	PMID[559223]
NPT1079	Individual Protein	Histone acetyltransferase p300	Homo sapiens	IC50	=	30000.0	nM	PMID[559224]
NPT1080	Individual Protein	Histone acetyltransferase PCAF	Homo sapiens	IC50	=	60000.0	nM	PMID[559224]
NPT1834	Individual Protein	CREB-binding protein	Homo sapiens	IC50	=	50000.0	nM	PMID[559224]
NPT4248	Individual Protein	Histone acetyltransferase KAT5	Homo sapiens	IC50	=	70000.0	nM	PMID[559224]
NPT2503	Cell Line	NCI-H1703	Homo sapiens	IC50	=	17100.0	nM	PMID[559225]
NPT2410	Cell Line	NCI-H1299	Homo sapiens	IC50	=	20600.0	nM	PMID[559225]
NPT1820	Cell Line	NCI-H1650	Homo sapiens	IC50	=	24800.0	nM	PMID[559225]
NPT3377	Cell Line	PC-9	""	IC50	=	77400.0	nM	PMID[559225]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	185000.0	nM	PMID[559225]
NPT3141	Individual Protein	Fatty acid synthase	Gallus gallus	IC50	=	52000.0	nM	PMID[559225]
NPT232	Individual Protein	Cannabinoid CB1 receptor	Homo sapiens	Ki	=	33600.0	nM	PMID[559228]
NPT1287	Individual Protein	Cannabinoid CB2 receptor	Homo sapiens	Ki	=	42800.0	nM	PMID[559228]
NPT1187	Individual Protein	Proteasome Macropain subunit MB1	Homo sapiens	IC50	=	86.0	nM	PMID[559229]
NPT1187	Individual Protein	Proteasome Macropain subunit MB1	Homo sapiens	IC50	=	1000.0	nM	PMID[559229]
NPT1187	Individual Protein	Proteasome Macropain subunit MB1	Homo sapiens	IC50	=	18000.0	nM	PMID[559229]
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Activity	=	95.7	%	PMID[559230]
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Activity	=	33.4	%	PMID[559230]
NPT1274	Individual Protein	DNA repair protein RAD52 homolog	Homo sapiens	IC50	=	277.0	nM	PMID[559231]
NPT1274	Individual Protein	DNA repair protein RAD52 homolog	Homo sapiens	IC50	=	1600.0	nM	PMID[559231]
NPT1274	Individual Protein	DNA repair protein RAD52 homolog	Homo sapiens	IC50	=	6700.0	nM	PMID[559231]
NPT1274	Individual Protein	DNA repair protein RAD52 homolog	Homo sapiens	IC50	=	3700.0	nM	PMID[559231]
NPT1573	Individual Protein	Enoyl-[acyl-carrier-protein] reductase	Escherichia coli K-12	IC50	=	5000.0	nM	PMID[559238]
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Activity	=	80.8	%	PMID[559239]
NPT616	Cell Line	MDCK	Canis lupus familiaris	CC50	>	200000.0	nM	PMID[559241]
NPT1274	Individual Protein	DNA repair protein RAD52 homolog	Homo sapiens	IC50	=	277.0	nM	PMID[559250]
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	49098	nM	PubChem BioAssay data set
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	68729.1	nM	PubChem BioAssay data set
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	52494.2	nM	PubChem BioAssay data set
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	263.1	nM	PubChem BioAssay data set
NPT162	Individual Protein	Heat shock protein beta-1	Homo sapiens	Potency	n.a.	52970.7	nM	PubChem BioAssay data set
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	27361.6	nM	PubChem BioAssay data set
NPT163	Individual Protein	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens	Potency	n.a.	52970.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	IC50	=	20800.0	nM	PMID[559063]
NPT2	Others	Unspecified	""	IC50	>	500000.0	nM	PMID[559063]
NPT35	Others	n.a.	""	P	=	8.0	n.a.	PMID[559063]
NPT164	Organism	Human herpesvirus 4	Human herpesvirus 4	Activation	=	15.5	%	PMID[559064]
NPT164	Organism	Human herpesvirus 4	Human herpesvirus 4	Activation	>	35.0	%	PMID[559064]
NPT164	Organism	Human herpesvirus 4	Human herpesvirus 4	Activation	>	69.0	%	PMID[559064]
NPT164	Organism	Human herpesvirus 4	Human herpesvirus 4	Activation	>	95.9	%	PMID[559064]
NPT164	Organism	Human herpesvirus 4	Human herpesvirus 4	Viability	=	60.0	%	PMID[559064]
NPT164	Organism	Human herpesvirus 4	Human herpesvirus 4	Viability	>	80.0	%	PMID[559064]
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	EC50	=	7.0	ug.mL-1	PMID[559065]
NPT27	Others	Unspecified	""	Therapeutic index	=	1.1	n.a.	PMID[559065]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	25500.0	nM	PMID[559066]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	9900.0	nM	PMID[559066]
NPT1	Others	Radical scavenging activity	""	IC50	=	3760000.0	nM	PMID[559067]
NPT742	Organism	Influenza A virus	Influenza A virus	IC50	=	41250.0	nM	PMID[559069]
NPT2	Others	Unspecified	""	IC50	=	200.0	nM	PMID[559070]
NPT2	Others	Unspecified	""	Inhibition	=	4.0	%	PMID[559070]
NPT2	Others	Unspecified	""	Inhibition	=	10.0	%	PMID[559070]
NPT2	Others	Unspecified	""	Kd	=	23000.0	nM	PMID[559071]
NPT2	Others	Unspecified	""	IC50	=	50000.0	nM	PMID[559071]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	=	10000.0	nM	PMID[559071]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	9900.0	nM	PMID[559072]
NPT2	Others	Unspecified	""	Inhibition	=	13.0	%	PMID[559073]
NPT2	Others	Unspecified	""	IC50	=	6440.0	nM	PMID[559074]
NPT2	Others	Unspecified	""	IC50	=	25000.0	nM	PMID[559074]
NPT605	Organism	Homo sapiens	Homo sapiens	Cp	=	0.3	umol/L	PMID[559074]
NPT2	Others	Unspecified	""	Ratio IC50	=	100.0	n.a.	PMID[559074]
NPT980	Individual Protein	Apoptosis regulator Bcl-2	Homo sapiens	Ki	=	234.42	nM	PMID[559075]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	4.8	mM	PMID[559076]
NPT1	Others	Radical scavenging activity	""	IC50	=	5.6	ug.mL-1	PMID[559077]
NPT2	Others	Unspecified	""	Inhibition	=	26.5	%	PMID[559081]
NPT2	Others	Unspecified	""	Inhibition	=	10.5	%	PMID[559081]
NPT2	Others	Unspecified	""	Inhibition	=	3.0	%	PMID[559081]
NPT35	Others	n.a.	""	LogP	=	0.09	n.a.	PMID[559082]
NPT2	Others	Unspecified	""	Inhibition	=	6.4	%	PMID[559083]
NPT2	Others	Unspecified	""	Inhibition	=	34.9	%	PMID[559083]
NPT2	Others	Unspecified	""	Inhibition	=	68.1	%	PMID[559083]
NPT2	Others	Unspecified	""	Inhibition	=	87.7	%	PMID[559083]
NPT24	Organism	Human immunodeficiency virus 1	Human immunodeficiency virus 1	IC50	=	19910.0	nM	PMID[559084]
NPT2	Others	Unspecified	""	IC50	=	12200.0	nM	PMID[559085]
NPT2	Others	Unspecified	""	IC50	=	9400.0	nM	PMID[559085]
NPT2	Others	Unspecified	""	FC	=	3.6	n.a.	PMID[559086]
NPT1453	Organism	Influenza A virus (A/PR/8/34(H1N1))	Influenza A virus (A/Puerto Rico/8/1934(H1N1))	EC50	=	94600.0	nM	PMID[559088]
NPT2	Others	Unspecified	""	Ratio CC50/EC50	=	2.91	n.a.	PMID[559088]
NPT1453	Organism	Influenza A virus (A/PR/8/34(H1N1))	Influenza A virus (A/Puerto Rico/8/1934(H1N1))	EC50	=	391.0	nM	PMID[559088]
NPT2	Others	Unspecified	""	Ratio CC50/EC50	=	703.0	n.a.	PMID[559088]
NPT1	Others	Radical scavenging activity	""	IC50	=	2.7	ug.mL-1	PMID[559090]
NPT1	Others	Radical scavenging activity	""	ED50	=	7.0	uM	PMID[559092]
NPT27	Others	Unspecified	""	Activity	=	95.2	%	PMID[559094]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Inhibition	=	46.7	%	PMID[559094]
NPT1	Others	Radical scavenging activity	""	ED50	=	7.0	uM	PMID[559096]
NPT35	Others	n.a.	""	Activity	=	4.8	n.a.	PMID[559097]
NPT605	Organism	Homo sapiens	Homo sapiens	Cp	=	7.5	uM	PMID[559098]
NPT32	Organism	Mus musculus	Mus musculus	Cp	=	9.0	uM	PMID[559098]
NPT2	Others	Unspecified	""	IC50	=	86.0	nM	PMID[559100]
NPT2	Others	Unspecified	""	IC50	=	170.0	nM	PMID[559101]
NPT2	Others	Unspecified	""	Inhibition	=	22.0	%	PMID[559100]
NPT35	Others	n.a.	""	Activity	=	5.95	MU	PMID[559102]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	4.39	MU	PMID[559102]
NPT35	Others	n.a.	""	Activity	=	6.08	MU	PMID[559102]
NPT2	Others	Unspecified	""	Ratio IC50	=	20.0	n.a.	PMID[559103]
NPT2	Others	Unspecified	""	Inhibition	=	100.0	%	PMID[559103]
NPT2	Others	Unspecified	""	IC50	=	3700.0	nM	PMID[559103]
NPT2	Others	Unspecified	""	Ratio IC50	=	10.0	n.a.	PMID[559103]
NPT2	Others	Unspecified	""	IC50	=	180.0	nM	PMID[559103]
NPT175	Organism	Enterococcus faecalis	Enterococcus faecalis	MIC	>	128.0	ug.mL-1	PMID[559104]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	>	128.0	ug.mL-1	PMID[559104]
NPT729	Organism	Micrococcus luteus	Micrococcus luteus	MIC	=	32.0	ug.mL-1	PMID[559104]
NPT17	Organism	Staphylococcus epidermidis	Staphylococcus epidermidis	MIC	=	128.0	ug.mL-1	PMID[559104]
NPT79	Organism	Bacillus subtilis	Bacillus subtilis	MIC	>	128.0	ug.mL-1	PMID[559104]
NPT19	Organism	Escherichia coli	Escherichia coli	MIC	>	128.0	ug.mL-1	PMID[559104]
NPT172	Organism	Proteus mirabilis	Proteus mirabilis	MIC	>	128.0	ug.mL-1	PMID[559104]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	>	128.0	ug.mL-1	PMID[559104]
NPT35	Others	n.a.	""	Stability	=	15.0	%	PMID[559104]
NPT187	Organism	Issatchenkia orientalis	Pichia kudriavzevii	MIC	>	128.0	ug.mL-1	PMID[559104]
NPT820	Organism	Clavispora lusitaniae	Clavispora lusitaniae	MIC	>	128.0	ug.mL-1	PMID[559104]
NPT20	Organism	Candida albicans	Candida albicans	MIC	>	128.0	ug.mL-1	PMID[559104]
NPT186	Organism	Candida tropicalis	Candida tropicalis	MIC	>	128.0	ug.mL-1	PMID[559104]
NPT2	Others	Unspecified	""	Inhibition	=	32.0	%	PMID[559107]
NPT2	Others	Unspecified	""	Inhibition	=	17.0	%	PMID[559107]
NPT865	Individual Protein	Fatty acid synthase	Homo sapiens	IC50	=	51970.0	nM	PMID[559109]
NPT795	Individual Protein	Zinc finger protein mex-5	Caenorhabditis elegans	EC50	=	727.0	nM	PMID[559112]
NPT2	Others	Unspecified	""	EC50	>	110000.0	nM	PMID[559112]
NPT197	Protein-Protein Interaction	Menin/Histone-lysine N-methyltransferase MLL	Homo sapiens	Potency	=	17782.8	nM	PMID[559111]
NPT797	Individual Protein	Cytoplasmic zinc-finger protein	Caenorhabditis elegans	EC50	=	5892.0	nM	PMID[559112]
NPT1141	Organism	Human herpesvirus 2	Human herpesvirus 2	FC	=	3.0	n.a.	PMID[559113]
NPT190	Organism	Human herpesvirus 1	Human herpesvirus 1	FC	=	3.5	n.a.	PMID[559113]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	FC	=	4.0	n.a.	PMID[559113]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	25000.0	nM	PMID[559113]
NPT1141	Organism	Human herpesvirus 2	Human herpesvirus 2	IC50	=	12270.0	nM	PMID[559113]
NPT1141	Organism	Human herpesvirus 2	Human herpesvirus 2	IC50	=	12480.0	nM	PMID[559113]
NPT1141	Organism	Human herpesvirus 2	Human herpesvirus 2	IC50	=	12500.0	nM	PMID[559113]
NPT1141	Organism	Human herpesvirus 2	Human herpesvirus 2	IC50	=	12470.0	nM	PMID[559113]
NPT1141	Organism	Human herpesvirus 2	Human herpesvirus 2	IC50	=	12050.0	nM	PMID[559113]
NPT190	Organism	Human herpesvirus 1	Human herpesvirus 1	IC50	=	48410.0	nM	PMID[559113]
NPT190	Organism	Human herpesvirus 1	Human herpesvirus 1	IC50	=	45360.0	nM	PMID[559113]
NPT190	Organism	Human herpesvirus 1	Human herpesvirus 1	IC50	=	16000.0	nM	PMID[559113]
NPT190	Organism	Human herpesvirus 1	Human herpesvirus 1	IC50	=	48180.0	nM	PMID[559113]
NPT190	Organism	Human herpesvirus 1	Human herpesvirus 1	IC50	=	49090.0	nM	PMID[559113]
NPT190	Organism	Human herpesvirus 1	Human herpesvirus 1	IC50	=	18300.0	nM	PMID[559113]
NPT190	Organism	Human herpesvirus 1	Human herpesvirus 1	IC50	=	72300.0	nM	PMID[559113]
NPT1141	Organism	Human herpesvirus 2	Human herpesvirus 2	FC	>=	2.0	n.a.	PMID[559113]
NPT1141	Organism	Human herpesvirus 2	Human herpesvirus 2	FC	>	4.0	n.a.	PMID[559113]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	FC	=	0.56	n.a.	PMID[559113]
NPT1141	Organism	Human herpesvirus 2	Human herpesvirus 2	FC	=	3.15	n.a.	PMID[559113]
NPT190	Organism	Human herpesvirus 1	Human herpesvirus 1	FC	=	2.0	n.a.	PMID[559113]
NPT190	Organism	Human herpesvirus 1	Human herpesvirus 1	FC	>=	3.0	n.a.	PMID[559113]
NPT1141	Organism	Human herpesvirus 2	Human herpesvirus 2	FC	=	2.0	n.a.	PMID[559113]
NPT190	Organism	Human herpesvirus 1	Human herpesvirus 1	FC	=	3.0	n.a.	PMID[559113]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	FC	>=	3.0	n.a.	PMID[559113]
NPT27	Others	Unspecified	""	Inhibition	=	97.0	%	PMID[559113]
NPT2	Others	Unspecified	""	IC50	=	6290.0	nM	PMID[559114]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	9900.0	nM	PMID[559117]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Inhibition	=	33.4	%	PMID[559118]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Inhibition	=	83.8	%	PMID[559118]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Inhibition	=	41.7	%	PMID[559118]
NPT610	Others	Molecular identity unknown	""	Activity	=	1.9	%	PMID[559118]
NPT610	Others	Molecular identity unknown	""	Activity	=	51.9	%	PMID[559118]
NPT610	Others	Molecular identity unknown	""	Activity	=	12.1	%	PMID[559118]
NPT610	Others	Molecular identity unknown	""	Activity	=	20.1	%	PMID[559118]
NPT610	Others	Molecular identity unknown	""	Activity	=	4.5	%	PMID[559118]
NPT610	Others	Molecular identity unknown	""	Activity	=	42.3	%	PMID[559118]
NPT610	Others	Molecular identity unknown	""	Activity	=	8.3	%	PMID[559118]
NPT610	Others	Molecular identity unknown	""	Activity	=	19.6	%	PMID[559118]
NPT2	Others	Unspecified	""	FC	=	21.0	n.a.	PMID[559119]
NPT2	Others	Unspecified	""	Inhibition	=	89.0	%	PMID[559120]
NPT99	Individual Protein	Peroxisome proliferator-activated receptor gamma	Homo sapiens	Potency	n.a.	35481.3	nM	PMID[559121]
NPT27	Others	Unspecified	""	Ratio TD50/ED50	=	5.5	n.a.	PMID[559122]
NPT742	Organism	Influenza A virus	Influenza A virus	ED50	=	8.3	uM	PMID[559122]
NPT2	Others	Unspecified	""	IC50	=	3000.0	nM	PMID[559125]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	Inhibition	=	-18.24	%	PMID[559127]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	Inhibition	=	-12.61	%	PMID[559127]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	Inhibition	=	-11.78	%	PMID[559127]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	Inhibition	=	-0.72	%	PMID[559127]
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	18.64	%	PMID[559127]
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	25.48	%	PMID[559127]
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	39.79	%	PMID[559127]
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	51.17	%	PMID[559127]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	Inhibition	=	5.78	%	PMID[559127]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	IC50	=	757.0	nM	PMID[559127]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	RFU	=	-6.56	n.a.	PMID[559127]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	RFU	=	-6.19	n.a.	PMID[559127]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	RFU	=	-5.27	n.a.	PMID[559127]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	RFU	=	-2.41	n.a.	PMID[559127]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	RFU	=	1.52	n.a.	PMID[559127]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	RFU	=	20.75	n.a.	PMID[559127]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	RFU	=	26.37	n.a.	PMID[559127]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	RFU	=	85.78	n.a.	PMID[559127]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	RFU	=	87.43	n.a.	PMID[559127]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	RFU	=	88.78	n.a.	PMID[559127]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	RFU	=	98.94	n.a.	PMID[559127]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	RFU	=	99.28	n.a.	PMID[559127]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	Inhibition	=	38.0	%	PMID[559127]
NPT740	Individual Protein	Beta-secretase 1	Homo sapiens	IC50	=	1600.0	nM	PMID[559127]
NPT2	Others	Unspecified	""	IC50	=	42800.0	nM	PMID[559129]
NPT1	Others	Radical scavenging activity	""	IC50	=	8300.0	nM	PMID[559129]
NPT2	Others	Unspecified	""	FC	=	3.9	n.a.	PMID[559130]
NPT713	Individual Protein	Bile salt export pump	Homo sapiens	IC50	=	214000.0	nM	PMID[559132]
NPT2	Others	Unspecified	""	Activity	=	2.2	mM	PMID[559134]
NPT2	Others	Unspecified	""	Activity	=	0.125	V	PMID[559134]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	26.1	ug.mL-1	PMID[559135]
NPT67	Individual Protein	Cholinesterase	Equus caballus	Inhibition	=	-4.27	%	PMID[559137]
NPT2	Others	Unspecified	""	IC50	>	75000.0	nM	PMID[559138]
NPT2	Others	Unspecified	""	Ratio IC50	=	3.02	n.a.	PMID[559138]
NPT2	Others	Unspecified	""	Ratio IC50	=	8.33	n.a.	PMID[559138]
NPT2	Others	Unspecified	""	Ratio IC50	=	3.0	n.a.	PMID[559138]
NPT2	Others	Unspecified	""	Imax	=	85.0	%	PMID[559138]
NPT2	Others	Unspecified	""	IC50	=	370.0	nM	PMID[559138]
NPT980	Individual Protein	Apoptosis regulator Bcl-2	Homo sapiens	Ki	=	335.0	nM	PMID[559139]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	log(%)	=	1.064	n.a.	PMID[559140]
NPT1521	Organism	Stenotrophomonas maltophilia	Stenotrophomonas maltophilia	MIC90	=	512.0	ug.mL-1	PMID[559141]
NPT1521	Organism	Stenotrophomonas maltophilia	Stenotrophomonas maltophilia	MIC90	=	256.0	ug.mL-1	PMID[559141]
NPT1521	Organism	Stenotrophomonas maltophilia	Stenotrophomonas maltophilia	MIC50	=	512.0	ug.mL-1	PMID[559141]
NPT1521	Organism	Stenotrophomonas maltophilia	Stenotrophomonas maltophilia	MIC50	=	256.0	ug.mL-1	PMID[559141]
NPT5431	Tissue	Epidermal microsome	Homo sapiens	Inhibition	=	41.0	%	PMID[559141]
NPT5432	Tissue	Dermis	Homo sapiens	Inhibition	=	30.0	%	PMID[559141]
NPT5433	Tissue	Epidermis	Homo sapiens	Inhibition	=	30.0	%	PMID[559141]
NPT21750	LIPID	Lipid bilayer	n.a.	Activity	=	78.8	%	PMID[559142]
NPT2	Others	Unspecified	""	Activity	=	37.4	%	PMID[559142]
NPT614	Tissue	Plasma	Rattus norvegicus	PPB	=	85.0	%	PMID[559142]
NPT621	Tissue	Plasma	Homo sapiens	PPB	=	85.0	%	PMID[559142]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	47.9	mg/ml	PMID[559143]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	151.1	uM	PMID[559143]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	10.2	uU/ml	PMID[559143]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	169.6	mg/dl	PMID[559143]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	251.5	g	PMID[559143]
NPT621	Tissue	Plasma	Homo sapiens	Cp	=	11.3	uM	PMID[559144]
NPT2	Others	Unspecified	""	IC50	=	700.0	nM	PMID[559146]
NPT2	Others	Unspecified	""	IC50	=	1100.0	nM	PMID[559146]
NPT2	Others	Unspecified	""	Ratio IC50	>	50.0	n.a.	PMID[559148]
NPT2	Others	Unspecified	""	IC50	>	200000.0	nM	PMID[559148]
NPT2	Others	Unspecified	""	IC50	=	3900.0	nM	PMID[559148]
NPT78	Individual Protein	Beta amyloid A4 protein	Homo sapiens	IC50	=	100000.0	nM	PMID[559148]
NPT2	Others	Unspecified	""	Inhibition	=	41.16	%	PMID[559149]
NPT755	Individual Protein	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Homo sapiens	IC50	=	20000.0	nM	PMID[559150]
NPT2	Others	Unspecified	""	Ratio IC50	=	129.4	n.a.	PMID[559153]
NPT27	Others	Unspecified	""	IC50	=	436300.0	nM	PMID[559153]
NPT634	Organism	Leishmania amazonensis	Leishmania amazonensis	GI	=	83.6	%	PMID[559153]
NPT634	Organism	Leishmania amazonensis	Leishmania amazonensis	IC50	=	1600.0	nM	PMID[559153]
NPT73	Individual Protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	49.04	%	PMID[559154]
NPT72	Individual Protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	45.88	%	PMID[559154]
NPT2	Others	Unspecified	""	IC50	=	1995.26	nM	PMID[559155]
NPT2	Others	Unspecified	""	IC50	=	1900.0	nM	PMID[559155]
NPT610	Others	Molecular identity unknown	""	Activity	=	30.0	%	PMID[559157]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	EC50	=	100000.0	nM	PMID[559157]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	EC50	=	195000.0	nM	PMID[559157]
NPT2	Others	Unspecified	""	Ki	=	25.0	nM	PMID[559161]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	610.0	nM	PMID[559166]
NPT1666	Organism	Plasmodium falciparum D6	Plasmodium falciparum D6	IC50	=	73.0	nM	PMID[559166]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	1400.0	nM	PMID[559166]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	20000.0	nM	PMID[559168]
NPT2	Others	Unspecified	""	IC50	=	0.03	ug.mL-1	PMID[559169]
NPT2	Others	Unspecified	""	IC50	=	0.2	ug.mL-1	PMID[559169]
NPT78	Individual Protein	Beta amyloid A4 protein	Homo sapiens	Activity	=	16.0	%	PMID[559170]
NPT78	Individual Protein	Beta amyloid A4 protein	Homo sapiens	IC50	=	4600.0	nM	PMID[559170]
NPT78	Individual Protein	Beta amyloid A4 protein	Homo sapiens	IC50	=	3000.0	nM	PMID[559170]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	29800.0	nM	PMID[559172]
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	50.0	%	PMID[559173]
NPT78	Individual Protein	Beta amyloid A4 protein	Homo sapiens	Inhibition	=	95.1	%	PMID[559175]
NPT78	Individual Protein	Beta amyloid A4 protein	Homo sapiens	IC50	=	500.0	nM	PMID[559175]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	IC50	=	124.1	nM	PMID[559176]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	IC50	=	122.6	nM	PMID[559176]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	Ratio	=	1.2	n.a.	PMID[559176]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	69100.0	nM	PMID[559176]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	56000.0	nM	PMID[559176]
NPT634	Organism	Leishmania amazonensis	Leishmania amazonensis	FC	=	2.9	n.a.	PMID[559177]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	49.5	%	PMID[559178]
NPT84	Individual Protein	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Rattus norvegicus	IC50	=	330.0	nM	PMID[559179]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	>=	19.0	mm	PMID[559180]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	IZ	=	8.0	mm	PMID[559180]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	140000.0	nM	PMID[559180]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	280000.0	nM	PMID[559180]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	560000.0	nM	PMID[559180]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	4000.0	nM	PMID[559180]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	70000.0	nM	PMID[559180]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	40000.0	nM	PMID[559180]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	MIC	=	20000.0	nM	PMID[559180]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	FICI	=	0.06	n.a.	PMID[559180]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	FICI	=	0.31	n.a.	PMID[559180]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	FICI	=	0.2	n.a.	PMID[559180]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	FICI	=	0.28	n.a.	PMID[559180]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	FICI	=	0.09	n.a.	PMID[559180]
NPT16	Organism	Staphylococcus aureus	Staphylococcus aureus	FICI	=	0.07	n.a.	PMID[559180]
NPT2	Others	Unspecified	""	Activity	=	54.5	%	PMID[559183]
NPT27	Others	Unspecified	""	FC	=	0.43	n.a.	PMID[559185]
NPT27	Others	Unspecified	""	Activity	=	101.0	%	PMID[559185]
NPT27	Others	Unspecified	""	Activity	=	98.0	%	PMID[559185]
NPT27	Others	Unspecified	""	Activity	=	90.0	%	PMID[559185]
NPT27	Others	Unspecified	""	Activity	=	93.0	%	PMID[559185]
NPT27	Others	Unspecified	""	Activity	=	91.0	%	PMID[559185]
NPT27	Others	Unspecified	""	Activity	=	89.0	%	PMID[559185]
NPT27	Others	Unspecified	""	Activity	=	102.0	%	PMID[559185]
NPT2	Others	Unspecified	""	Activity	=	84.0	%	PMID[559185]
NPT2	Others	Unspecified	""	FC	=	0.75	n.a.	PMID[559185]
NPT23878	SINGLE PROTEIN	Translin-associated protein X	Homo sapiens	Inhibition	=	88.0	%	PMID[559192]
NPT2	Others	Unspecified	""	EC50	=	28400.0	nM	PMID[559193]
NPT2	Others	Unspecified	""	EC50	=	26100.0	nM	PMID[559193]
NPT2	Others	Unspecified	""	EC50	=	22800.0	nM	PMID[559193]
NPT963	Organism	Hepatitis B virus	Hepatitis B virus	Inhibition	>	80.0	%	PMID[559195]
NPT2	Others	Unspecified	""	IC50	=	2150.0	nM	PMID[559196]
NPT77	Individual Protein	Transthyretin	Homo sapiens	Kd	=	400.0	nM	PMID[559197]
NPT2	Others	Unspecified	""	IC50	=	31600.0	nM	PMID[559198]
NPT26580	SINGLE PROTEIN	Lactoperoxidase	Bos taurus	Km	=	320.0	nM	PMID[559200]
NPT26580	SINGLE PROTEIN	Lactoperoxidase	Bos taurus	Kcat	=	13.92	/s	PMID[559200]
NPT26580	SINGLE PROTEIN	Lactoperoxidase	Bos taurus	Kcat/Km	=	43.8	/uM/s	PMID[559200]
NPT35	Others	n.a.	""	Activity	=	1.97	uMequiv/uM	PMID[559201]
NPT956	Individual Protein	Prostaglandin E synthase	Homo sapiens	IC50	=	1800.0	nM	PMID[559202]
NPT20632	ORGANISM	Chikungunya virus	Chikungunya virus	EC50	=	6.54	ug.mL-1	PMID[559203]
NPT78	Individual Protein	Beta amyloid A4 protein	Homo sapiens	Inhibition	=	86.1	%	PMID[559204]
NPT21748	CELL-LINE	LN-229	Homo sapiens	Activity	=	106.0	%	PMID[559205]
NPT2	Others	Unspecified	""	Activity	=	102.0	%	PMID[559205]
NPT21749	CELL-LINE	COLO 201	Homo sapiens	Activity	=	100.0	%	PMID[559205]
NPT21748	CELL-LINE	LN-229	Homo sapiens	IC50	=	15000.0	nM	PMID[559205]
NPT2	Others	Unspecified	""	IC50	=	25000.0	nM	PMID[559205]
NPT21749	CELL-LINE	COLO 201	Homo sapiens	IC50	=	38000.0	nM	PMID[559205]
NPT21750	LIPID	Lipid bilayer	n.a.	Activity	=	11.2	uM	PMID[559205]
NPT2	Others	Unspecified	""	Ki	=	25.0	nM	PMID[559205]
NPT27	Others	Unspecified	""	Cp	<	1.0	uM	PMID[559205]
NPT32	Organism	Mus musculus	Mus musculus	Tmax	=	0.5	hr	PMID[559205]
NPT32	Organism	Mus musculus	Mus musculus	Cmax	=	5000.0	nM	PMID[559205]
NPT32	Organism	Mus musculus	Mus musculus	Tmax	=	0.08333	hr	PMID[559205]
NPT32	Organism	Mus musculus	Mus musculus	Cmax	=	12000.0	nM	PMID[559205]
NPT2	Others	Unspecified	""	Inhibition	=	63.0	%	PMID[559206]
NPT22782	SINGLE PROTEIN	L-lactate dehydrogenase	Homo sapiens	Inhibition	=	63.0	%	PMID[559206]
NPT22125	SINGLE PROTEIN	Phosphoglycerate mutase 1	Homo sapiens	IC50	=	490.0	nM	PMID[559206]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	6.28	%	PMID[559209]
NPT186	Organism	Candida tropicalis	Candida tropicalis	MIC	<=	1.0	ug.mL-1	PMID[559212]
NPT78	Individual Protein	Beta amyloid A4 protein	Homo sapiens	Inhibition	=	52.9	%	PMID[559213]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity_index	=	1.1	n.a.	PMID[559214]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity_index	=	1.5	n.a.	PMID[559214]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	4.6	n.a.	PMID[559214]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	9.1	mmol/g	PMID[559214]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	33.3	pg/ml	PMID[559214]
NPT2	Others	Unspecified	""	ED50	=	300.0	nM	PMID[559215]
NPT878	Organism	Streptococcus mutans	Streptococcus mutans	MBIC90	=	15.6	ug ml-1	PMID[559217]
NPT878	Organism	Streptococcus mutans	Streptococcus mutans	MIC	=	31.25	ug.mL-1	PMID[559217]
NPT2	Others	Unspecified	""	Inhibition	=	50.0	%	PMID[559217]
NPT22367	SINGLE PROTEIN	Genome polyprotein	Zika virus	IC50	=	87000.0	nM	PMID[559218]
NPT21773	SINGLE PROTEIN	Thiosulfate sulfurtransferase	Homo sapiens	IC50	=	7300.0	nM	PMID[559221]
NPT2	Others	Unspecified	""	IC50	=	16000.0	nM	PMID[559221]
NPT21772	PROTEIN COMPLEX	GroEL/GroES	Escherichia coli	IC50	=	580.0	nM	PMID[559221]
NPT21772	PROTEIN COMPLEX	GroEL/GroES	Escherichia coli	IC50	=	360.0	nM	PMID[559221]
NPT21774	PROTEIN COMPLEX	HSP60/HSP10	Homo sapiens	IC50	=	2300.0	nM	PMID[559221]
NPT21775	SINGLE PROTEIN	"60 kDa chaperonin"	Escherichia coli (strain K12)	IC50	>	250000.0	nM	PMID[559221]
NPT2	Others	Unspecified	""	Ratio IC50	>	10.0	n.a.	PMID[559221]
NPT21772	PROTEIN COMPLEX	GroEL/GroES	Escherichia coli	Inhibition	=	98.0	%	PMID[559221]
NPT21772	PROTEIN COMPLEX	GroEL/GroES	Escherichia coli	Inhibition	=	90.0	%	PMID[559221]
NPT2	Others	Unspecified	""	Inhibition	=	50.0	%	PMID[559224]
NPT2	Others	Unspecified	""	Ratio IC50	=	6.4	n.a.	PMID[559225]
NPT2	Others	Unspecified	""	Ratio IC50	=	5.3	n.a.	PMID[559225]
NPT2	Others	Unspecified	""	Ratio IC50	=	4.4	n.a.	PMID[559225]
NPT2	Others	Unspecified	""	IC50	=	110000.0	nM	PMID[559225]
NPT865	Individual Protein	Fatty acid synthase	Homo sapiens	Ratio	=	0.06	n.a.	PMID[559225]
NPT865	Individual Protein	Fatty acid synthase	Homo sapiens	Ratio	=	0.89	n.a.	PMID[559225]
NPT865	Individual Protein	Fatty acid synthase	Homo sapiens	Ratio	=	0.14	n.a.	PMID[559225]
NPT865	Individual Protein	Fatty acid synthase	Homo sapiens	Ratio	=	0.67	n.a.	PMID[559225]
NPT2	Others	Unspecified	""	Ratio IC50	=	1.4	n.a.	PMID[559225]
NPT2	Others	Unspecified	""	Ratio IC50	=	0.6	n.a.	PMID[559225]
NPT2	Others	Unspecified	""	IC50	=	17000000.0	nM	PMID[559226]
NPT1021	Organism	Leishmania infantum	Leishmania infantum	EC50	=	2600.0	nM	PMID[559227]
NPT1021	Organism	Leishmania infantum	Leishmania infantum	Inhibition	=	97.7	%	PMID[559227]
NPT2	Others	Unspecified	""	Ratio CC50/EC50	=	167.8	n.a.	PMID[559227]
NPT1021	Organism	Leishmania infantum	Leishmania infantum	Inhibition	=	47.5	%	PMID[559227]
NPT1021	Organism	Leishmania infantum	Leishmania infantum	Inhibition	=	93.6	%	PMID[559227]
NPT1021	Organism	Leishmania infantum	Leishmania infantum	Inhibition	=	98.7	%	PMID[559227]
NPT1021	Organism	Leishmania infantum	Leishmania infantum	ED50	=	12.4	mg/kg/day	PMID[559227]
NPT1021	Organism	Leishmania infantum	Leishmania infantum	ED90	=	21.5	mg/kg/day	PMID[559227]
NPT20556	SINGLE PROTEIN	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	99.33	%	PMID[559232]
NPT20556	SINGLE PROTEIN	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	99.51	%	PMID[559233]
NPT20556	SINGLE PROTEIN	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	IC50	=	1580.0	nM	PMID[559232]
NPT20556	SINGLE PROTEIN	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	IC50	=	720.0	nM	PMID[559233]
NPT22753	SINGLE PROTEIN	Replicase polyprotein 1ab	Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)	IC50	>	10000.0	nM	PMID[559232]
NPT22753	SINGLE PROTEIN	Replicase polyprotein 1ab	Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)	IC50	>	10000.0	nM	PMID[559233]
NPT22753	SINGLE PROTEIN	Replicase polyprotein 1ab	Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)	Inhibition	=	10.0	%	PMID[559232]
NPT22753	SINGLE PROTEIN	Replicase polyprotein 1ab	Middle East respiratory syndrome-related coronavirus (isolate UnitedKingdom/H123990006/2012) (Betacoronavirus England 1) (Humancoronavirus EMC)	Inhibition	=	16.0	%	PMID[559233]
NPT22291	PROTEIN FAMILY	Chymotrypsin	Homo sapiens	Inhibition	=	-0.5	%	PMID[559232]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-0.15	%	PMID[559234]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	0.29	%	PMID[559235]
NPT20	Organism	Candida albicans	Candida albicans	Inhibition	=	3.47	%	PMID[559236]
NPT85	Organism	Filobasidiella neoformans	Cryptococcus neoformans	Inhibition	=	-2.04	%	PMID[559236]
NPT19	Organism	Escherichia coli	Escherichia coli	Inhibition	=	5.85	%	PMID[559236]
NPT173	Organism	Klebsiella pneumoniae	Klebsiella pneumoniae	Inhibition	=	17.83	%	PMID[559236]
NPT18	Organism	Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	=	27.87	%	PMID[559236]
NPT747	Organism	Acinetobacter baumannii	Acinetobacter baumannii	Inhibition	=	29.27	%	PMID[559236]
NPT2922	Organism	Staphylococcus aureus subsp. aureus	Staphylococcus aureus subsp. aureus	Inhibition	=	13.39	%	PMID[559236]
NPT2	Others	Unspecified	""	Inhibition	=	92.0	%	PMID[559237]
NPT920	Individual Protein	Alpha-synuclein	Homo sapiens	Activity	=	96.3	%	PMID[559240]
NPT742	Organism	Influenza A virus	Influenza A virus	EC50	=	28930.0	nM	PMID[559241]
NPT2	Others	Unspecified	""	Ratio CC50/EC50	>	6.9	n.a.	PMID[559241]
NPT2	Others	Unspecified	""	EC50	=	6454.75	nM	PMID[559241]
NPT2	Others	Unspecified	""	Kd	=	956.32	nM	PMID[559241]
NPT888	Individual Protein	"78 kDa glucose-regulated protein"	Homo sapiens	RBA	=	271.0	%	PMID[559242]
NPT2	Others	Unspecified	""	IC50	=	73000.0	nM	PMID[559243]
NPT2	Others	Unspecified	""	IC50	=	870.0	nM	PMID[559244]
NPT77	Individual Protein	Transthyretin	Homo sapiens	Kd	=	400.0	nM	PMID[559245]
NPT22125	SINGLE PROTEIN	Phosphoglycerate mutase 1	Homo sapiens	IC50	=	490.0	nM	PMID[559246]
NPT2	Others	Unspecified	""	IC50	=	73000.0	nM	PMID[559247]
NPT2	Others	Unspecified	""	IC50	>	200000.0	nM	PMID[559248]
NPT77	Individual Protein	Transthyretin	Homo sapiens	Inhibition	=	53.0	%	PMID[559249]
NPT22917	SINGLE PROTEIN	Cytochrome c	Homo sapiens	Inhibition	=	63.0	%	PMID[559251]
NPT22917	SINGLE PROTEIN	Cytochrome c	Homo sapiens	Inhibition	=	50.0	%	PMID[559251]
NPT22917	SINGLE PROTEIN	Cytochrome c	Homo sapiens	Inhibition	=	62.0	%	PMID[559251]
NPT22917	SINGLE PROTEIN	Cytochrome c	Homo sapiens	T1/2	=	0.02167	hr	PMID[559251]
NPT27	Others	Unspecified	""	log Pe	=	-6.92	n.a.	PMID[559251]
NPT35	Others	n.a.	""	LogD	=	0.04	n.a.	PMID[559251]
NPT2	Others	Unspecified	""	Potency	n.a.	41697.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	21931.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	34446.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	66086.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	24386	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	47210.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	666.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	52494.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	48656.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	74150	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	27361.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	58899.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	26309.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	61254.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	43758.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	54593.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	18794.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	46785.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	77115.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	30700.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	68729.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	7711.5	nM	PubChem BioAssay data set
NPT74	Individual Protein	Proto-oncogene c-JUN	Homo sapiens	Potency	n.a.	30978.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	49098	nM	PubChem BioAssay data set
NPT2	Others	Unspecified	""	Potency	n.a.	37500.4	nM	PubChem BioAssay data set
NPT27936	PROTEIN COMPLEX	MexAB/OprM	Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM14847 / LMG 12228 / 1C / PRS 101 / PAO1)	MIC	=	64.0	ug.mL-1	PMID[559220]
NPT27936	PROTEIN COMPLEX	MexAB/OprM	Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM14847 / LMG 12228 / 1C / PRS 101 / PAO1)	MIC	=	16.0	ug.mL-1	PMID[559220]
NPT27936	PROTEIN COMPLEX	MexAB/OprM	Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM14847 / LMG 12228 / 1C / PRS 101 / PAO1)	MIC	=	0.5	ug.mL-1	PMID[559220]
NPT27936	PROTEIN COMPLEX	MexAB/OprM	Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM14847 / LMG 12228 / 1C / PRS 101 / PAO1)	MIC	=	128.0	ug.mL-1	PMID[559220]
NPT27936	PROTEIN COMPLEX	MexAB/OprM	Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM14847 / LMG 12228 / 1C / PRS 101 / PAO1)	MIC	=	2.0	ug.mL-1	PMID[559220]
NPT27936	PROTEIN COMPLEX	MexAB/OprM	Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM14847 / LMG 12228 / 1C / PRS 101 / PAO1)	MIC	=	32.0	ug.mL-1	PMID[559220]

☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.

Chemically structural similarity: I. Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC250436 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	385
0.1-0.2	1674
0.2-0.3	4178
0.3-0.4	9177
0.4-0.5	8820
0.5-0.6	3378
0.6-0.7	4885
0.7-0.8	6319
0.8-0.85	2817
0.85-0.9	999
0.9-0.95	43
0.95-1	22

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC291948
1.0	High Similarity	NPC104983
1.0	High Similarity	NPC300845
1.0	High Similarity	NPC88803
0.9933	High Similarity	NPC156818
0.9933	High Similarity	NPC160512
0.9933	High Similarity	NPC68324
0.9933	High Similarity	NPC38779
0.9933	High Similarity	NPC289322
0.9933	High Similarity	NPC114179
0.9867	High Similarity	NPC87317
0.9866	High Similarity	NPC318432
0.9801	High Similarity	NPC53889
0.9801	High Similarity	NPC24164
0.9664	High Similarity	NPC474656
0.9427	High Similarity	NPC473818
0.9423	High Similarity	NPC142614
0.9299	High Similarity	NPC471788
0.9295	High Similarity	NPC476372
0.9295	High Similarity	NPC476371
0.929	High Similarity	NPC289346
0.929	High Similarity	NPC24627
0.925	High Similarity	NPC100251
0.925	High Similarity	NPC271848
0.925	High Similarity	NPC262580
0.925	High Similarity	NPC289396
0.925	High Similarity	NPC81332
0.925	High Similarity	NPC212038
0.925	High Similarity	NPC65333
0.9241	High Similarity	NPC207575
0.9241	High Similarity	NPC13481
0.9236	High Similarity	NPC121290
0.9211	High Similarity	NPC75695
0.92	High Similarity	NPC142528
0.9195	High Similarity	NPC268515
0.9195	High Similarity	NPC40222
0.9193	High Similarity	NPC98583
0.9187	High Similarity	NPC204937
0.9187	High Similarity	NPC476365
0.9187	High Similarity	NPC149011
0.9172	High Similarity	NPC285108
0.9172	High Similarity	NPC90905
0.9172	High Similarity	NPC33298
0.9172	High Similarity	NPC4013
0.9167	High Similarity	NPC476373
0.9156	High Similarity	NPC222185
0.9139	High Similarity	NPC107636
0.913	High Similarity	NPC47140
0.913	High Similarity	NPC67134
0.9108	High Similarity	NPC112418
0.9108	High Similarity	NPC142252
0.9108	High Similarity	NPC158188
0.9103	High Similarity	NPC40702
0.9103	High Similarity	NPC37502
0.9103	High Similarity	NPC267627
0.9097	High Similarity	NPC165483
0.908	High Similarity	NPC79736
0.908	High Similarity	NPC67629
0.908	High Similarity	NPC297574
0.9079	High Similarity	NPC473091
0.9074	High Similarity	NPC175230
0.9074	High Similarity	NPC88560
0.9074	High Similarity	NPC172033
0.9068	High Similarity	NPC180768
0.9067	High Similarity	NPC262282
0.9062	High Similarity	NPC243877
0.9062	High Similarity	NPC14662
0.9062	High Similarity	NPC260266
0.906	High Similarity	NPC121573
0.906	High Similarity	NPC22176
0.906	High Similarity	NPC226738
0.906	High Similarity	NPC190587
0.9051	High Similarity	NPC219927
0.9051	High Similarity	NPC476247
0.9051	High Similarity	NPC477841
0.9051	High Similarity	NPC471745
0.9045	High Similarity	NPC203020
0.9045	High Similarity	NPC101731
0.9045	High Similarity	NPC471744
0.9045	High Similarity	NPC239966
0.9038	High Similarity	NPC1913
0.9038	High Similarity	NPC247713
0.9032	High Similarity	NPC203757
0.9024	High Similarity	NPC267549
0.9024	High Similarity	NPC476620
0.9024	High Similarity	NPC476618
0.9024	High Similarity	NPC476622
0.9024	High Similarity	NPC476623
0.9024	High Similarity	NPC476619
0.9024	High Similarity	NPC476621
0.9013	High Similarity	NPC476394
0.9013	High Similarity	NPC98809
0.9012	High Similarity	NPC476370
0.8994	High Similarity	NPC67959
0.8987	High Similarity	NPC165970
0.8987	High Similarity	NPC305987
0.8987	High Similarity	NPC228383
0.8987	High Similarity	NPC113163
0.8987	High Similarity	NPC84324
0.8987	High Similarity	NPC66618
0.8987	High Similarity	NPC288131
0.8987	High Similarity	NPC134783
0.8981	High Similarity	NPC289811
0.8981	High Similarity	NPC24339
0.8981	High Similarity	NPC284127
0.8981	High Similarity	NPC172202
0.8981	High Similarity	NPC476410
0.8981	High Similarity	NPC53545
0.8981	High Similarity	NPC117418
0.8981	High Similarity	NPC166456
0.8981	High Similarity	NPC74319
0.8981	High Similarity	NPC287872
0.8981	High Similarity	NPC160780
0.8981	High Similarity	NPC7543
0.8981	High Similarity	NPC94220
0.8981	High Similarity	NPC98083
0.897	High Similarity	NPC80956
0.8968	High Similarity	NPC469888
0.8968	High Similarity	NPC18727
0.8968	High Similarity	NPC197188
0.8968	High Similarity	NPC291510
0.8968	High Similarity	NPC144801
0.8968	High Similarity	NPC178134
0.8968	High Similarity	NPC43872
0.8968	High Similarity	NPC238672
0.8968	High Similarity	NPC116850
0.8963	High Similarity	NPC472991
0.8963	High Similarity	NPC472992
0.8963	High Similarity	NPC144097
0.8963	High Similarity	NPC61904
0.8957	High Similarity	NPC476374
0.8957	High Similarity	NPC472993
0.8954	High Similarity	NPC1612
0.8954	High Similarity	NPC183959
0.8947	High Similarity	NPC472969
0.8944	High Similarity	NPC45400
0.8944	High Similarity	NPC116745
0.8938	High Similarity	NPC7154
0.8938	High Similarity	NPC477840
0.8938	High Similarity	NPC58223
0.8938	High Similarity	NPC7688
0.8938	High Similarity	NPC125039
0.8938	High Similarity	NPC36916
0.8938	High Similarity	NPC36
0.8938	High Similarity	NPC72787
0.8938	High Similarity	NPC165720
0.8933	High Similarity	NPC134975
0.8931	High Similarity	NPC291957
0.8931	High Similarity	NPC14030
0.8931	High Similarity	NPC220912
0.8924	High Similarity	NPC119125
0.8924	High Similarity	NPC166277
0.8917	High Similarity	NPC475267
0.8917	High Similarity	NPC99597
0.8917	High Similarity	NPC210084
0.8917	High Similarity	NPC35598
0.8917	High Similarity	NPC48208
0.8917	High Similarity	NPC162869
0.8917	High Similarity	NPC63454
0.8917	High Similarity	NPC183851
0.8917	High Similarity	NPC129684
0.8917	High Similarity	NPC472860
0.8917	High Similarity	NPC474836
0.8917	High Similarity	NPC474208
0.8917	High Similarity	NPC133984
0.8917	High Similarity	NPC222689
0.8917	High Similarity	NPC299520
0.8917	High Similarity	NPC108456
0.8917	High Similarity	NPC156057
0.8917	High Similarity	NPC291508
0.8916	High Similarity	NPC117668
0.8916	High Similarity	NPC208797
0.8916	High Similarity	NPC53680
0.8916	High Similarity	NPC8940
0.891	High Similarity	NPC200761
0.891	High Similarity	NPC145425
0.891	High Similarity	NPC45849
0.891	High Similarity	NPC470327
0.891	High Similarity	NPC477503
0.8909	High Similarity	NPC472387
0.8909	High Similarity	NPC267680
0.8909	High Similarity	NPC253521
0.8909	High Similarity	NPC293626
0.8909	High Similarity	NPC217387
0.8909	High Similarity	NPC196127
0.8909	High Similarity	NPC35167
0.8909	High Similarity	NPC258044
0.8909	High Similarity	NPC113836
0.8909	High Similarity	NPC37668
0.8903	High Similarity	NPC3746
0.8903	High Similarity	NPC257648
0.8903	High Similarity	NPC44260
0.8903	High Similarity	NPC219582
0.8903	High Similarity	NPC302950
0.8903	High Similarity	NPC289968
0.8903	High Similarity	NPC477231
0.8903	High Similarity	NPC61152
0.8903	High Similarity	NPC236637
0.8903	High Similarity	NPC16024
0.8903	High Similarity	NPC106976

Chemically structural similarity: II. Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC250436 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	361
0.1-0.2	921
0.2-0.3	1852
0.3-0.4	2562
0.4-0.5	1778
0.5-0.6	1006
0.6-0.7	477
0.7-0.8	136
0.8-0.85	41
0.85-0.9	15
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD4868	Clinical (unspecified phase)
0.925	High Similarity	NPD7993	Clinical (unspecified phase)
0.8968	High Similarity	NPD1465	Phase 2
0.8938	High Similarity	NPD6166	Phase 2
0.8938	High Similarity	NPD6167	Clinical (unspecified phase)
0.8938	High Similarity	NPD6168	Clinical (unspecified phase)
0.8903	High Similarity	NPD1934	Approved
0.8846	High Similarity	NPD2393	Clinical (unspecified phase)
0.8773	High Similarity	NPD5844	Phase 1
0.8712	High Similarity	NPD3818	Discontinued
0.8675	High Similarity	NPD4338	Clinical (unspecified phase)
0.8608	High Similarity	NPD2801	Approved
0.8606	High Similarity	NPD7074	Phase 3
0.8562	High Similarity	NPD4381	Clinical (unspecified phase)
0.8562	High Similarity	NPD7075	Discontinued
0.8553	High Similarity	NPD3817	Phase 2
0.8545	High Similarity	NPD7054	Approved
0.8535	High Similarity	NPD4380	Phase 2
0.8506	High Similarity	NPD1511	Approved
0.85	High Similarity	NPD3882	Suspended
0.8494	Intermediate Similarity	NPD7472	Approved
0.8481	Intermediate Similarity	NPD7411	Suspended
0.8466	Intermediate Similarity	NPD6232	Discontinued
0.8443	Intermediate Similarity	NPD6797	Phase 2
0.8397	Intermediate Similarity	NPD1512	Approved
0.8393	Intermediate Similarity	NPD7251	Discontinued
0.8389	Intermediate Similarity	NPD230	Phase 1
0.8375	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.8323	Intermediate Similarity	NPD5402	Approved
0.8313	Intermediate Similarity	NPD7473	Discontinued
0.8301	Intermediate Similarity	NPD1549	Phase 2
0.8261	Intermediate Similarity	NPD7819	Suspended
0.8258	Intermediate Similarity	NPD6190	Approved
0.8235	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8235	Intermediate Similarity	NPD7808	Phase 3
0.8235	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8232	Intermediate Similarity	NPD5494	Approved
0.8228	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.821	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.82	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.82	Intermediate Similarity	NPD1613	Approved
0.8199	Intermediate Similarity	NPD6801	Discontinued
0.8194	Intermediate Similarity	NPD3750	Approved
0.8182	Intermediate Similarity	NPD6959	Discontinued
0.8171	Intermediate Similarity	NPD6234	Discontinued
0.8153	Intermediate Similarity	NPD6799	Approved
0.8144	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8129	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.8113	Intermediate Similarity	NPD5403	Approved
0.811	Intermediate Similarity	NPD3749	Approved
0.8108	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.8101	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8077	Intermediate Similarity	NPD4628	Phase 3
0.8072	Intermediate Similarity	NPD7199	Phase 2
0.807	Intermediate Similarity	NPD6559	Discontinued
0.8063	Intermediate Similarity	NPD1653	Approved
0.8054	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.8049	Intermediate Similarity	NPD7768	Phase 2
0.8047	Intermediate Similarity	NPD7228	Approved
0.8	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7989	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7987	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7987	Intermediate Similarity	NPD1510	Phase 2
0.7987	Intermediate Similarity	NPD5401	Approved
0.7987	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7976	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7975	Intermediate Similarity	NPD37	Approved
0.7963	Intermediate Similarity	NPD6599	Discontinued
0.7947	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7939	Intermediate Similarity	NPD4967	Phase 2
0.7939	Intermediate Similarity	NPD4966	Approved
0.7939	Intermediate Similarity	NPD4965	Approved
0.7935	Intermediate Similarity	NPD2796	Approved
0.7925	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7871	Intermediate Similarity	NPD3748	Approved
0.7861	Intermediate Similarity	NPD7685	Pre-registration
0.7853	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7843	Intermediate Similarity	NPD943	Approved
0.7834	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7821	Intermediate Similarity	NPD1551	Phase 2
0.7791	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7771	Intermediate Similarity	NPD8313	Approved
0.7771	Intermediate Similarity	NPD8312	Approved
0.777	Intermediate Similarity	NPD9269	Phase 2
0.7764	Intermediate Similarity	NPD2534	Approved
0.7764	Intermediate Similarity	NPD2532	Approved
0.7764	Intermediate Similarity	NPD2533	Approved
0.7763	Intermediate Similarity	NPD3027	Phase 3
0.7736	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7733	Intermediate Similarity	NPD3751	Discontinued
0.7727	Intermediate Similarity	NPD1240	Approved
0.7712	Intermediate Similarity	NPD6798	Discontinued
0.7711	Intermediate Similarity	NPD8455	Phase 2
0.7707	Intermediate Similarity	NPD2935	Discontinued
0.7697	Intermediate Similarity	NPD4908	Phase 1
0.7677	Intermediate Similarity	NPD447	Suspended
0.7667	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7665	Intermediate Similarity	NPD5353	Approved
0.7661	Intermediate Similarity	NPD3926	Phase 2
0.7658	Intermediate Similarity	NPD7266	Discontinued
0.7633	Intermediate Similarity	NPD919	Approved
0.7628	Intermediate Similarity	NPD1607	Approved
0.7602	Intermediate Similarity	NPD3787	Discontinued
0.7597	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7576	Intermediate Similarity	NPD3226	Approved
0.7558	Intermediate Similarity	NPD5242	Approved
0.7557	Intermediate Similarity	NPD7240	Approved
0.7548	Intermediate Similarity	NPD6233	Phase 2
0.7526	Intermediate Similarity	NPD8151	Discontinued
0.7516	Intermediate Similarity	NPD9494	Approved
0.75	Intermediate Similarity	NPD9268	Approved
0.75	Intermediate Similarity	NPD5953	Discontinued
0.75	Intermediate Similarity	NPD7229	Phase 3
0.75	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7485	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7484	Intermediate Similarity	NPD6100	Approved
0.7484	Intermediate Similarity	NPD6099	Approved
0.7484	Intermediate Similarity	NPD3764	Approved
0.7455	Intermediate Similarity	NPD920	Approved
0.7452	Intermediate Similarity	NPD1933	Approved
0.7442	Intermediate Similarity	NPD8127	Discontinued
0.7442	Intermediate Similarity	NPD1247	Approved
0.7439	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7416	Intermediate Similarity	NPD7549	Discontinued
0.7407	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7386	Intermediate Similarity	NPD7286	Phase 2
0.7386	Intermediate Similarity	NPD1203	Approved
0.7381	Intermediate Similarity	NPD6385	Approved
0.7381	Intermediate Similarity	NPD6386	Approved
0.7372	Intermediate Similarity	NPD2313	Discontinued
0.7365	Intermediate Similarity	NPD7458	Discontinued
0.736	Intermediate Similarity	NPD7038	Approved
0.736	Intermediate Similarity	NPD7039	Approved
0.7355	Intermediate Similarity	NPD6832	Phase 2
0.7353	Intermediate Similarity	NPD4288	Approved
0.7351	Intermediate Similarity	NPD1610	Phase 2
0.7348	Intermediate Similarity	NPD8434	Phase 2
0.7348	Intermediate Similarity	NPD8150	Discontinued
0.7346	Intermediate Similarity	NPD2800	Approved
0.7346	Intermediate Similarity	NPD1243	Approved
0.7346	Intermediate Similarity	NPD1652	Phase 2
0.7342	Intermediate Similarity	NPD6355	Discontinued
0.7342	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7342	Intermediate Similarity	NPD5124	Phase 1
0.7333	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD2346	Discontinued
0.732	Intermediate Similarity	NPD3225	Approved
0.7317	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD2799	Discontinued
0.7312	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7312	Intermediate Similarity	NPD7033	Discontinued
0.7312	Intermediate Similarity	NPD4308	Phase 3
0.7303	Intermediate Similarity	NPD1608	Approved
0.7299	Intermediate Similarity	NPD5710	Approved
0.7299	Intermediate Similarity	NPD5711	Approved
0.7289	Intermediate Similarity	NPD6273	Approved
0.7287	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD2797	Approved
0.7273	Intermediate Similarity	NPD7390	Discontinued
0.7268	Intermediate Similarity	NPD7782	Clinical (unspecified phase)
0.7268	Intermediate Similarity	NPD7783	Phase 2
0.7267	Intermediate Similarity	NPD6971	Discontinued
0.7263	Intermediate Similarity	NPD7435	Discontinued
0.7261	Intermediate Similarity	NPD3268	Approved
0.7255	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.725	Intermediate Similarity	NPD7097	Phase 1
0.7237	Intermediate Similarity	NPD422	Phase 1
0.7234	Intermediate Similarity	NPD7237	Clinical (unspecified phase)
0.7233	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7232	Intermediate Similarity	NPD7177	Discontinued
0.7222	Intermediate Similarity	NPD2344	Approved
0.7212	Intermediate Similarity	NPD7440	Discontinued
0.7205	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7202	Intermediate Similarity	NPD7585	Approved
0.72	Intermediate Similarity	NPD1548	Phase 1
0.72	Intermediate Similarity	NPD9545	Approved
0.7196	Intermediate Similarity	NPD6778	Approved
0.7196	Intermediate Similarity	NPD6776	Approved
0.7196	Intermediate Similarity	NPD6777	Approved
0.7196	Intermediate Similarity	NPD6779	Approved
0.7196	Intermediate Similarity	NPD6782	Approved
0.7196	Intermediate Similarity	NPD6780	Approved
0.7196	Intermediate Similarity	NPD6781	Approved
0.7195	Intermediate Similarity	NPD8166	Discontinued
0.7195	Intermediate Similarity	NPD7003	Approved
0.7179	Intermediate Similarity	NPD2861	Phase 2
0.7174	Intermediate Similarity	NPD4287	Approved
0.7173	Intermediate Similarity	NPD7680	Approved
0.717	Intermediate Similarity	NPD4060	Phase 1
0.716	Intermediate Similarity	NPD3455	Phase 2
0.716	Intermediate Similarity	NPD5406	Approved
0.716	Intermediate Similarity	NPD5405	Approved
0.716	Intermediate Similarity	NPD5408	Approved
0.716	Intermediate Similarity	NPD5404	Approved
0.715	Intermediate Similarity	NPD7583	Approved
0.7143	Intermediate Similarity	NPD7090	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7117	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD17	Approved
0.7091	Intermediate Similarity	NPD4109	Clinical (unspecified phase)

Bioactivity similarity: Similar Natural Products in NPASS

Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.

Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.

A: chemistry similarity

B: biological targets similarity

C: networks similarity

D: cell-based bioactivity similarity

E: similarity based on clinical data