NPASS Compound

Structure

CID83287 OpenBabel06191715422D 41 46 0 0 1 0 0 0 0 0999 V2000 5.9332 1.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1181 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 -3.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8476 -1.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8987 -2.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9548 -2.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8476 1.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6952 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5428 -0.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6255 -1.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8476 0.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0856 0.9787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2275 -1.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6952 0.9787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2701 -2.1230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8476 -1.4681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6952 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 0.9787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8024 -2.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8476 -0.4894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0856 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2380 -0.4894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3904 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3904 0.9787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5428 -1.4681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8476 -0.4894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6952 -1.9574 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8476 2.4468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6952 0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8476 1.4681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6965 -2.4831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9332 -0.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 -1.4681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 -0.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6952 -0.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7218 -2.0598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5989 -1.1277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 1.4681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 1.4681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 26 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 5 27 1 0 0 0 0 6 29 1 0 0 0 0 7 14 2 0 0 0 0 7 20 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 9 15 1 0 0 0 0 9 27 1 0 0 0 0 10 18 1 0 0 0 0 10 26 1 0 0 0 0 11 14 1 0 0 0 0 11 39 1 0 0 0 0 12 30 1 0 0 0 0 13 1 1 1 0 0 0 13 22 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 15 41 1 6 0 0 0 16 26 1 6 0 0 0 17 21 1 0 0 0 0 17 29 1 1 0 0 0 18 21 1 0 0 0 0 18 31 1 1 0 0 0 19 28 1 6 0 0 0 19 32 1 0 0 0 0 20 33 2 0 0 0 0 20 39 1 0 0 0 0 21 28 1 6 0 0 0 22 23 1 0 0 0 0 22 34 1 6 0 0 0 23 24 1 0 0 0 0 23 35 1 1 0 0 0 24 25 1 0 0 0 0 24 36 1 1 0 0 0 25 40 1 0 0 0 0 25 41 1 6 0 0 0 26 29 1 6 0 0 0 27 28 1 6 0 0 0 27 37 1 0 0 0 0 28 12 1 6 0 0 0 29 38 1 6 0 0 0 M END $$$$

Physi-Chem Properties

Molecular Weight:	584.28
Volume:	559.011
LogP:	-0.154
LogD:	-0.256
LogS:	-2.638
# Rotatable Bonds:	4
TPSA:	213.67
# H-Bond Aceptor:	12
# H-Bond Donor:	9
# Rings:	6
# Heavy Atoms:	12

MedChem Properties

QED Drug-Likeness Score:	0.204
Synthetic Accessibility Score:	5.712
Fsp3:	0.862
Lipinski Rule-of-5:	Rejected
Pfizer Rule:	Accepted
GSK Rule:	Rejected
BMS Rule:	1
Golden Triangle Rule:	Rejected
Chelating Alert:	0
PAINS Alert:	0

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-6.787
MDCK Permeability:	7.416983862640336e-05
Pgp-inhibitor:	0.001
Pgp-substrate:	1.0
Human Intestinal Absorption (HIA):	0.899
20% Bioavailability (F20%):	0.999
30% Bioavailability (F30%):	1.0

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.168
Plasma Protein Binding (PPB):	65.5840072631836%
Volume Distribution (VD):	0.367
Pgp-substrate:	21.001842498779297%

ADMET: Metabolism

CYP1A2-inhibitor:	0.004
CYP1A2-substrate:	0.107
CYP2C19-inhibitor:	0.003
CYP2C19-substrate:	0.176
CYP2C9-inhibitor:	0.002
CYP2C9-substrate:	0.062
CYP2D6-inhibitor:	0.001
CYP2D6-substrate:	0.08
CYP3A4-inhibitor:	0.064
CYP3A4-substrate:	0.049

ADMET: Excretion

Clearance (CL):	1.385
Half-life (T1/2):	0.692

ADMET: Toxicity

hERG Blockers:	0.244
Human Hepatotoxicity (H-HT):	0.325
Drug-inuced Liver Injury (DILI):	0.032
AMES Toxicity:	0.113
Rat Oral Acute Toxicity:	0.838
Maximum Recommended Daily Dose:	0.993
Skin Sensitization:	0.502
Carcinogencity:	0.603
Eye Corrosion:	0.003
Eye Irritation:	0.011
Respiratory Toxicity:	0.974

Download Data

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

Natural Product: NPC83287

Natural Product ID:	NPC83287
*Common Name:**	Ouabain
IUPAC Name:	3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Synonyms:	NSC-25485; Ouabain
Standard InCHIKey:	LPMXVESGRSUGHW-HBYQJFLCSA-N
Standard InCHI:	InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
SMILES:	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]1C[C@H]([C@]2(CO)[C@@H]3[C@@H](CC[C@@]2(C1)O)[C@]1(CC[C@H](C2=CC(=O)OC2)[C@@]1(C)C[C@H]3O)O)O)O)O)O
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	CHEMBL222863
PubChem CID:	439501
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000012] Lipids and lipid-like molecules [CHEMONTID:0000258] Steroids and steroid derivatives [CHEMONTID:0001125] Steroid lactones [CHEMONTID:0001555] Cardenolides and derivatives [CHEMONTID:0001559] Cardenolide glycosides and derivatives

*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
NPO32617	dysidea sp.	Species	Dysideidae	Eukaryota	n.a.	n.a.	n.a.	PMID[11374954]
NPO13141	Strophanthus gratus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[14311759]
NPO33280	Acanthostrongylophora sp.	Species	Petrosiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[15332848]
NPO32617	dysidea sp.	Species	Dysideidae	Eukaryota	n.a.	n.a.	n.a.	PMID[15921404]
NPO32617	dysidea sp.	Species	Dysideidae	Eukaryota	n.a.	n.a.	n.a.	PMID[1593283]
NPO33280	Acanthostrongylophora sp.	Species	Petrosiidae	Eukaryota	n.a.	Indonesian	n.a.	PMID[16872140]
NPO33280	Acanthostrongylophora sp.	Species	Petrosiidae	Eukaryota	n.a.	collected from vertical slopes between 33 and 40 m from Knife Cape Manado, Indonesia	2002-May	PMID[16872140]
NPO33280	Acanthostrongylophora sp.	Species	Petrosiidae	Eukaryota	n.a.	collected from vertical slopes between 33 and 40 m from Knife Cape Manado, Indonesia	2004-Mar	PMID[16872140]
NPO33280	Acanthostrongylophora sp.	Species	Petrosiidae	Eukaryota	n.a.	collected from vertical slopes between 33 and 40 m from Knife Cape Manado, Indonesia	n.a.	PMID[16872140]
NPO32617	dysidea sp.	Species	Dysideidae	Eukaryota	n.a.	n.a.	n.a.	PMID[18198840]
NPO32617	dysidea sp.	Species	Dysideidae	Eukaryota	n.a.	at 1020 m depth from Chuuk Atoll, Federated States of Micronesia	n.a.	PMID[18824352]
NPO32617	dysidea sp.	Species	Dysideidae	Eukaryota	n.a.	n.a.	n.a.	PMID[20230038]
NPO33652	Clathria gombawuiensis	Species	Microcionidae	Eukaryota	n.a.	n.a.	n.a.	PMID[23799303]
NPO33652	Clathria gombawuiensis	Species	Microcionidae	Eukaryota	n.a.	Gageo-do, Korea, at a depth of 25 m	2006-SEP	PMID[25634623]
NPO32617	dysidea sp.	Species	Dysideidae	Eukaryota	n.a.	n.a.	n.a.	PMID[26551342]
NPO32617	dysidea sp.	Species	Dysideidae	Eukaryota	n.a.	n.a.	n.a.	PMID[26863083]
NPO32617	dysidea sp.	Species	Dysideidae	Eukaryota	n.a.	n.a.	n.a.	PMID[27336796]
NPO33280	Acanthostrongylophora sp.	Species	Petrosiidae	Eukaryota	n.a.	n.a.	n.a.	PMID[28452477]
NPO33652	Clathria gombawuiensis	Species	Microcionidae	Eukaryota	n.a.	n.a.	n.a.	PMID[29182331]
NPO32617	dysidea sp.	Species	Dysideidae	Eukaryota	n.a.	n.a.	n.a.	PMID[32243140]
NPO32617	dysidea sp.	Species	Dysideidae	Eukaryota	n.a.	Indo-Pacific	n.a.	PMID[7494145]
NPO32617	dysidea sp.	Species	Dysideidae	Eukaryota	n.a.	n.a.	n.a.	PMID[9748373]
NPO4443	Digitalis purpurea	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[9834166]
NPO22245	Digitalis lanata	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO13141	Strophanthus gratus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO4443	Digitalis purpurea	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO28101	Fructus terminaliae billericae	n.a.	n.a.	n.a.	n.a.	n.a.	n.a.	Database[TCMID]
NPO3102	Arachniodes exilis	Species	Dryopteridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22245	Digitalis lanata	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO13141	Strophanthus gratus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO4443	Digitalis purpurea	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO22245	Digitalis lanata	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO4443	Digitalis purpurea	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO22245	Digitalis lanata	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO4443	Digitalis purpurea	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TM-MC]
NPO3102	Arachniodes exilis	Species	Dryopteridaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO22245	Digitalis lanata	Species	Plantaginaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO13141	Strophanthus gratus	Species	Apocynaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4443	Digitalis purpurea	Species	Plantaginaceae	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

☑ 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
AC50	4
EC50	7
GI50	117
IC50	56
MIC	1
Others	298
Potency	218

Activity Type	# Activity
Cell Line	140
Individual Protein	97
NON-MOLECULAR	25
Organism	247
Others	180
Protein Complex	14
Tissue	1
Uncleic Acid	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	213.1	nM	PubChem BioAssay data set
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	841.3	nM	PubChem BioAssay data set
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	190	nM	PubChem BioAssay data set
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	1333.3	nM	PubChem BioAssay data set
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	46.5	nM	PubChem BioAssay data set
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	1188.2	nM	PubChem BioAssay data set
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	103.1	nM	PubChem BioAssay data set
NPT106	Individual Protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	Potency	n.a.	530.8	nM	PubChem BioAssay data set
NPT106	Individual Protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	Potency	n.a.	3291	nM	PubChem BioAssay data set
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	42.5	nM	PubChem BioAssay data set
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	33.8	nM	PubChem BioAssay data set
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	16.5	nM	PubChem BioAssay data set
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	94.4	nM	PubChem BioAssay data set
NPT153	Individual Protein	Androgen Receptor	Homo sapiens	Potency	n.a.	46.1	nM	PubChem BioAssay data set
NPT106	Individual Protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	Potency	n.a.	668.2	nM	PubChem BioAssay data set
NPT106	Individual Protein	Peroxisome proliferator-activated receptor delta	Homo sapiens	Potency	n.a.	147	nM	PubChem BioAssay data set
NPT163	Individual Protein	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens	Potency	n.a.	10.4	nM	PubChem BioAssay data set
NPT163	Individual Protein	Nuclear factor NF-kappa-B p105 subunit	Homo sapiens	Potency	n.a.	47.7	nM	PubChem BioAssay data set
NPT604	Individual Protein	Serum albumin	Homo sapiens	Log B/F	=	1.066	n.a.	PMID[520214]
NPT3969	Individual Protein	Potassium-transporting ATPase alpha chain 2	Homo sapiens	IC50	=	200000.0	nM	PMID[520218]
NPT459	Individual Protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	IC50	>	200.0	ug.mL-1	PMID[520223]
NPT31	Individual Protein	Cyclooxygenase-2	Homo sapiens	Inhibition	<	30.0	%	PMID[520224]
NPT393	Cell Line	HCT-116	Homo sapiens	Survival	=	4.0	%	PMID[520231]
NPT139	Cell Line	HT-29	Homo sapiens	Survival	=	22.0	%	PMID[520231]
NPT483	Individual Protein	Prelamin-A/C	Homo sapiens	Potency	=	31.6	nM	PMID[520238]
NPT483	Individual Protein	Prelamin-A/C	Homo sapiens	Potency	=	794.3	nM	PMID[520239]
NPT483	Individual Protein	Prelamin-A/C	Homo sapiens	Potency	=	223.9	nM	PMID[520240]
NPT3970	Individual Protein	Kruppel-like factor 5	Homo sapiens	IC50	=	164.55	nM	PMID[520239]
NPT537	Individual Protein	Ras-related protein Rab-9A	Homo sapiens	Potency	=	29092.9	nM	PMID[520241]
NPT537	Individual Protein	Ras-related protein Rab-9A	Homo sapiens	Potency	=	125.9	nM	PMID[520239]
NPT442	Individual Protein	Ferritin light chain	Equus caballus	Potency	=	44668.4	nM	PMID[520240]
NPT189	Cell Line	Vero	Chlorocebus aethiops	CC50	=	160.0	nM	PMID[520239]
NPT38	Individual Protein	Signal transducer and activator of transcription 3	Homo sapiens	IC50	=	1154.0	nM	PMID[520239]
NPT37	Individual Protein	Signal transducer and activator of transcription 1-alpha/beta	Homo sapiens	IC50	>	55700.0	nM	PMID[520239]
NPT483	Individual Protein	Prelamin-A/C	Homo sapiens	Potency	=	1122.0	nM	PMID[520240]
NPT56	Individual Protein	Beta-lactamase AmpC	Escherichia coli K-12	Potency	=	25118.9	nM	PMID[520239]
NPT538	Individual Protein	Niemann-Pick C1 protein	Homo sapiens	Potency	=	158.5	nM	PMID[520239]
NPT538	Individual Protein	Niemann-Pick C1 protein	Homo sapiens	Potency	=	115820.8	nM	PMID[520241]
NPT539	Individual Protein	Cellular tumor antigen p53	Homo sapiens	Potency	=	50.1	nM	PMID[520244]
NPT483	Individual Protein	Prelamin-A/C	Homo sapiens	Potency	=	316.2	nM	PMID[520240]
NPT10	Individual Protein	Geminin	Homo sapiens	Potency	=	112.2	nM	PMID[520240]
NPT64	Individual Protein	ATPase family AAA domain-containing protein 5	Homo sapiens	Potency	n.a.	65.1	nM	PMID[520241]
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	65.1	nM	PMID[520241]
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	58.0	nM	PMID[520246]
NPT579	Cell Line	DLD-1	Homo sapiens	IC50	n.a.	46.4	nM	PMID[520247]
NPT5	Individual Protein	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Homo sapiens	Potency	n.a.	22387.2	nM	PMID[520241]
NPT5	Individual Protein	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Homo sapiens	Potency	n.a.	10000.0	nM	PMID[520240]
NPT579	Cell Line	DLD-1	Homo sapiens	IC50	n.a.	29.73	nM	PMID[520247]
NPT64	Individual Protein	ATPase family AAA domain-containing protein 5	Homo sapiens	Potency	n.a.	163.6	nM	PMID[520239]
NPT64	Individual Protein	ATPase family AAA domain-containing protein 5	Homo sapiens	Potency	n.a.	92.0	nM	PMID[520241]
NPT492	Cell Line	Caco-2	Homo sapiens	logPapp	=	-6.96	n.a.	PMID[520250]
NPT189	Cell Line	Vero	Chlorocebus aethiops	IC50	<	50.0	nM	PMID[520246]
NPT189	Cell Line	Vero	Chlorocebus aethiops	CC50	n.a.	130.0	nM	PMID[520246]
NPT65	Cell Line	HepG2	Homo sapiens	Potency	n.a.	89.1	nM	PMID[520246]
NPT154	Individual Protein	Mothers against decapentaplegic homolog 3	Homo sapiens	Potency	n.a.	562.3	nM	PMID[520252]
NPT154	Individual Protein	Mothers against decapentaplegic homolog 3	Homo sapiens	Potency	n.a.	1122.0	nM	PMID[520246]
NPT71	Cell Line	HEK293	Homo sapiens	Potency	n.a.	58.0	nM	PMID[520239]
NPT71	Cell Line	HEK293	Homo sapiens	Potency	n.a.	46.1	nM	PMID[520241]
NPT519	Cell Line	SH-SY5Y	Homo sapiens	Potency	n.a.	316.2	nM	PMID[520241]
NPT71	Cell Line	HEK293	Homo sapiens	Potency	n.a.	100.0	nM	PMID[520240]
NPT368	Cell Line	SN12C	Homo sapiens	GI50	n.a.	20558.91	nM	PMID[520256]
NPT367	Cell Line	MDA-N	Homo sapiens	GI50	n.a.	18793.17	nM	PMID[520256]
NPT367	Cell Line	MDA-N	Homo sapiens	GI50	n.a.	19.5	nM	PMID[520257]
NPT368	Cell Line	SN12C	Homo sapiens	GI50	n.a.	10.0	nM	PMID[520257]
NPT369	Cell Line	ACHN	Homo sapiens	GI50	n.a.	10.0	nM	PMID[520257]
NPT370	Cell Line	NCI-H23	Homo sapiens	GI50	n.a.	10.79	nM	PMID[520257]
NPT370	Cell Line	NCI-H23	Homo sapiens	GI50	n.a.	21527.82	nM	PMID[520256]
NPT371	Cell Line	UO-31	Homo sapiens	GI50	n.a.	24660.39	nM	PMID[520256]
NPT371	Cell Line	UO-31	Homo sapiens	GI50	n.a.	12.36	nM	PMID[520257]
NPT369	Cell Line	ACHN	Homo sapiens	GI50	n.a.	20230.19	nM	PMID[520256]
NPT116	Cell Line	HL-60	Homo sapiens	GI50	n.a.	20989.4	nM	PMID[520256]
NPT372	Cell Line	HOP-92	Homo sapiens	GI50	n.a.	21.58	nM	PMID[520257]
NPT116	Cell Line	HL-60	Homo sapiens	GI50	n.a.	10.0	nM	PMID[520257]
NPT372	Cell Line	HOP-92	Homo sapiens	GI50	n.a.	24378.11	nM	PMID[520256]
NPT374	Cell Line	SF-539	Homo sapiens	GI50	n.a.	21379.62	nM	PMID[520256]
NPT90	Cell Line	DU-145	Homo sapiens	GI50	n.a.	11.97	nM	PMID[520257]
NPT90	Cell Line	DU-145	Homo sapiens	GI50	n.a.	19275.25	nM	PMID[520256]
NPT374	Cell Line	SF-539	Homo sapiens	GI50	n.a.	13.24	nM	PMID[520257]
NPT375	Cell Line	Malme-3M	Homo sapiens	GI50	n.a.	13.12	nM	PMID[520257]
NPT373	Cell Line	SK-MEL-5	Homo sapiens	GI50	n.a.	17701.09	nM	PMID[520256]
NPT375	Cell Line	Malme-3M	Homo sapiens	GI50	n.a.	19543.39	nM	PMID[520256]
NPT373	Cell Line	SK-MEL-5	Homo sapiens	GI50	n.a.	15.14	nM	PMID[520257]
NPT111	Cell Line	K562	Homo sapiens	GI50	n.a.	15.74	nM	PMID[520257]
NPT376	Cell Line	A498	Homo sapiens	GI50	n.a.	20464.45	nM	PMID[520256]
NPT376	Cell Line	A498	Homo sapiens	GI50	n.a.	18.32	nM	PMID[520257]
NPT377	Cell Line	OVCAR-3	Homo sapiens	GI50	n.a.	19815.27	nM	PMID[520256]
NPT377	Cell Line	OVCAR-3	Homo sapiens	GI50	n.a.	13.0	nM	PMID[520257]
NPT112	Cell Line	MOLT-4	Homo sapiens	GI50	n.a.	12.3	nM	PMID[520257]
NPT379	Cell Line	HOP-62	Homo sapiens	GI50	n.a.	11.17	nM	PMID[520257]
NPT112	Cell Line	MOLT-4	Homo sapiens	GI50	n.a.	17864.88	nM	PMID[520256]
NPT379	Cell Line	HOP-62	Homo sapiens	GI50	n.a.	21727.01	nM	PMID[520256]
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	GI50	n.a.	12.22	nM	PMID[520257]
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	GI50	n.a.	19498.45	nM	PMID[520256]
NPT380	Cell Line	U-251	Homo sapiens	GI50	n.a.	18793.17	nM	PMID[520256]
NPT380	Cell Line	U-251	Homo sapiens	GI50	n.a.	21.93	nM	PMID[520257]
NPT382	Cell Line	OVCAR-5	Homo sapiens	GI50	n.a.	35645.11	nM	PMID[520256]
NPT382	Cell Line	OVCAR-5	Homo sapiens	GI50	n.a.	14.72	nM	PMID[520257]
NPT381	Cell Line	OVCAR-8	Homo sapiens	GI50	n.a.	19186.69	nM	PMID[520256]
NPT381	Cell Line	OVCAR-8	Homo sapiens	GI50	n.a.	19.91	nM	PMID[520257]
NPT383	Cell Line	SNB-19	Homo sapiens	GI50	n.a.	18323.14	nM	PMID[520256]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI50	n.a.	129.12	nM	PMID[520257]
NPT383	Cell Line	SNB-19	Homo sapiens	GI50	n.a.	29.65	nM	PMID[520257]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI50	n.a.	21037.78	nM	PMID[520256]
NPT385	Cell Line	SR	Homo sapiens	GI50	n.a.	10162.49	nM	PMID[520256]
NPT384	Cell Line	TK-10	Homo sapiens	GI50	n.a.	10.52	nM	PMID[520257]
NPT385	Cell Line	SR	Homo sapiens	GI50	n.a.	14.86	nM	PMID[520257]
NPT384	Cell Line	TK-10	Homo sapiens	GI50	n.a.	16143.59	nM	PMID[520256]
NPT323	Cell Line	SW-620	Homo sapiens	GI50	n.a.	22438.82	nM	PMID[520256]
NPT323	Cell Line	SW-620	Homo sapiens	GI50	n.a.	20.0	nM	PMID[520257]
NPT455	Cell Line	NCI-H522	Homo sapiens	GI50	n.a.	17823.79	nM	PMID[520256]
NPT386	Cell Line	KM12	Homo sapiens	GI50	n.a.	17782.79	nM	PMID[520256]
NPT455	Cell Line	NCI-H522	Homo sapiens	GI50	n.a.	14.72	nM	PMID[520257]
NPT386	Cell Line	KM12	Homo sapiens	GI50	n.a.	33.57	nM	PMID[520257]
NPT387	Cell Line	M14	Homo sapiens	GI50	n.a.	27733.2	nM	PMID[520256]
NPT387	Cell Line	M14	Homo sapiens	GI50	n.a.	21.18	nM	PMID[520257]
NPT388	Cell Line	NCI-H322M	Homo sapiens	GI50	n.a.	24378.11	nM	PMID[520256]
NPT389	Cell Line	RPMI-8226	Homo sapiens	GI50	n.a.	26546.06	nM	PMID[520256]
NPT388	Cell Line	NCI-H322M	Homo sapiens	GI50	n.a.	13.15	nM	PMID[520257]
NPT389	Cell Line	RPMI-8226	Homo sapiens	GI50	n.a.	16.75	nM	PMID[520257]
NPT456	Cell Line	OVCAR-4	Homo sapiens	GI50	n.a.	12.42	nM	PMID[520257]
NPT390	Cell Line	LOX IMVI	Homo sapiens	GI50	n.a.	19.63	nM	PMID[520257]
NPT456	Cell Line	OVCAR-4	Homo sapiens	GI50	n.a.	17258.38	nM	PMID[520256]
NPT390	Cell Line	LOX IMVI	Homo sapiens	GI50	n.a.	18967.06	nM	PMID[520256]
NPT457	Cell Line	BT-549	Homo sapiens	GI50	n.a.	12.91	nM	PMID[520257]
NPT457	Cell Line	BT-549	Homo sapiens	GI50	n.a.	18030.18	nM	PMID[520256]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	GI50	n.a.	20183.66	nM	PMID[520256]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	GI50	n.a.	18.71	nM	PMID[520257]
NPT81	Cell Line	A549	Homo sapiens	GI50	n.a.	21183.61	nM	PMID[520256]
NPT81	Cell Line	A549	Homo sapiens	GI50	n.a.	10.94	nM	PMID[520257]
NPT391	Cell Line	HCC 2998	Homo sapiens	GI50	n.a.	60.53	nM	PMID[520257]
NPT392	Cell Line	SNB-75	Homo sapiens	GI50	n.a.	16.22	nM	PMID[520257]
NPT391	Cell Line	HCC 2998	Homo sapiens	GI50	n.a.	20183.66	nM	PMID[520256]
NPT148	Cell Line	HCT-15	Homo sapiens	GI50	n.a.	17338.04	nM	PMID[520256]
NPT148	Cell Line	HCT-15	Homo sapiens	GI50	n.a.	13.27	nM	PMID[520257]
NPT393	Cell Line	HCT-116	Homo sapiens	GI50	n.a.	18967.06	nM	PMID[520256]
NPT393	Cell Line	HCT-116	Homo sapiens	GI50	n.a.	13.93	nM	PMID[520257]
NPT395	Cell Line	SF-268	Homo sapiens	GI50	n.a.	18836.49	nM	PMID[520256]
NPT395	Cell Line	SF-268	Homo sapiens	GI50	n.a.	14.16	nM	PMID[520257]
NPT83	Cell Line	MCF7	Homo sapiens	GI50	n.a.	16.29	nM	PMID[520257]
NPT83	Cell Line	MCF7	Homo sapiens	GI50	n.a.	22961.49	nM	PMID[520256]
NPT394	Cell Line	EKVX	Homo sapiens	GI50	n.a.	16519.62	nM	PMID[520256]
NPT306	Cell Line	PC-3	Homo sapiens	GI50	n.a.	14.39	nM	PMID[520257]
NPT394	Cell Line	EKVX	Homo sapiens	GI50	n.a.	10.69	nM	PMID[520257]
NPT146	Cell Line	SK-OV-3	Homo sapiens	GI50	n.a.	15.67	nM	PMID[520257]
NPT306	Cell Line	PC-3	Homo sapiens	GI50	n.a.	20370.42	nM	PMID[520256]
NPT146	Cell Line	SK-OV-3	Homo sapiens	GI50	n.a.	18836.49	nM	PMID[520256]
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50	n.a.	19054.61	nM	PMID[520256]
NPT396	Cell Line	T47D	Homo sapiens	GI50	n.a.	12.08	nM	PMID[520257]
NPT396	Cell Line	T47D	Homo sapiens	GI50	n.a.	24945.95	nM	PMID[520256]
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50	n.a.	11.12	nM	PMID[520257]
NPT398	Cell Line	UACC-62	Homo sapiens	GI50	n.a.	17619.76	nM	PMID[520256]
NPT398	Cell Line	UACC-62	Homo sapiens	GI50	n.a.	38.11	nM	PMID[520257]
NPT308	Cell Line	CAKI-1	Homo sapiens	GI50	n.a.	14.59	nM	PMID[520257]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	GI50	n.a.	22.23	nM	PMID[520257]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	GI50	n.a.	19543.39	nM	PMID[520256]
NPT308	Cell Line	CAKI-1	Homo sapiens	GI50	n.a.	17701.09	nM	PMID[520256]
NPT399	Cell Line	SF-295	Homo sapiens	GI50	n.a.	13.77	nM	PMID[520257]
NPT458	Cell Line	IGROV-1	Homo sapiens	GI50	n.a.	19678.86	nM	PMID[520256]
NPT458	Cell Line	IGROV-1	Homo sapiens	GI50	n.a.	16.11	nM	PMID[520257]
NPT399	Cell Line	SF-295	Homo sapiens	GI50	n.a.	19275.25	nM	PMID[520256]
NPT402	Cell Line	Hs-578T	Homo sapiens	GI50	n.a.	25527.01	nM	PMID[520256]
NPT401	Cell Line	786-0	Homo sapiens	GI50	n.a.	12.88	nM	PMID[520257]
NPT402	Cell Line	Hs-578T	Homo sapiens	GI50	n.a.	15.52	nM	PMID[520257]
NPT403	Cell Line	UACC-257	Homo sapiens	GI50	n.a.	19498.45	nM	PMID[520256]
NPT401	Cell Line	786-0	Homo sapiens	GI50	n.a.	19906.73	nM	PMID[520256]
NPT403	Cell Line	UACC-257	Homo sapiens	GI50	n.a.	23.66	nM	PMID[520257]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	GI50	n.a.	21086.28	nM	PMID[520256]
NPT405	Cell Line	NCI-H226	Homo sapiens	GI50	n.a.	16.71	nM	PMID[520257]
NPT139	Cell Line	HT-29	Homo sapiens	GI50	n.a.	14.72	nM	PMID[520257]
NPT405	Cell Line	NCI-H226	Homo sapiens	GI50	n.a.	22698.65	nM	PMID[520256]
NPT170	Cell Line	SK-MEL-28	Homo sapiens	GI50	n.a.	21677.04	nM	PMID[520256]
NPT170	Cell Line	SK-MEL-28	Homo sapiens	GI50	n.a.	64.57	nM	PMID[520257]
NPT139	Cell Line	HT-29	Homo sapiens	GI50	n.a.	19498.45	nM	PMID[520256]
NPT406	Cell Line	RXF 393	Homo sapiens	GI50	n.a.	27478.94	nM	PMID[520256]
NPT407	Cell Line	COLO 205	Homo sapiens	GI50	n.a.	18492.69	nM	PMID[520256]
NPT406	Cell Line	RXF 393	Homo sapiens	GI50	n.a.	12.85	nM	PMID[520257]
NPT407	Cell Line	COLO 205	Homo sapiens	GI50	n.a.	27.04	nM	PMID[520257]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	10600.0	nM	PMID[520258]
NPT396	Cell Line	T47D	Homo sapiens	IC50	=	385.0	nM	PMID[520258]
NPT134	Cell Line	SK-BR-3	Homo sapiens	IC50	=	403.0	nM	PMID[520258]
NPT402	Cell Line	Hs-578T	Homo sapiens	IC50	=	110.0	nM	PMID[520258]
NPT402	Cell Line	Hs-578T	Homo sapiens	IC50	=	93000.0	nM	PMID[520258]
NPT3812	Individual Protein	Solute carrier organic anion transporter family member 4C1	Homo sapiens	Km	=	380.0	nM	PMID[520260]
NPT1631	Individual Protein	Solute carrier organic anion transporter family member 1A5	Rattus norvegicus	Km	=	1571000.0	nM	PMID[520267]
NPT305	Individual Protein	Solute carrier organic anion transporter family member 1A4	Rattus norvegicus	Km	=	470000.0	nM	PMID[520270]
NPT1733	Individual Protein	Solute carrier organic anion transporter family member 1A2	Homo sapiens	Km	=	5500000.0	nM	PMID[520271]
NPT10	Individual Protein	Geminin	Homo sapiens	Potency	n.a.	1458.1	nM	PMID[520246]
NPT10	Individual Protein	Geminin	Homo sapiens	Potency	n.a.	92.0	nM	PMID[520239]
NPT10	Individual Protein	Geminin	Homo sapiens	Potency	n.a.	6513.1	nM	PMID[520246]
NPT10	Individual Protein	Geminin	Homo sapiens	Potency	n.a.	259.3	nM	PMID[520239]
NPT478	Individual Protein	Ataxin-2	Homo sapiens	Potency	n.a.	316.2	nM	PMID[520241]
NPT478	Individual Protein	Ataxin-2	Homo sapiens	Potency	n.a.	8.4	nM	PMID[520246]
NPT11	Individual Protein	Guanine nucleotide-binding protein G(s), subunit alpha	Homo sapiens	Potency	n.a.	4466.8	nM	PMID[520246]
NPT622	Individual Protein	Solute carrier organic anion transporter family member 2B1	Homo sapiens	Inhibition	=	-24.1	%	PMID[520275]
NPT66	Individual Protein	Acetylcholinesterase	Electrophorus electricus	Inhibition	=	-3.72	%	PMID[520276]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	1883.7	nM	PMID[520280]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	2059.6	nM	PMID[520246]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	266.1	nM	PMID[520281]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	1354.2	nM	PMID[520282]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	1778.3	nM	PMID[520252]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	944.1	nM	PMID[520283]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	1258.9	nM	PMID[520252]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	237.1	nM	PMID[520281]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	958.7	nM	PMID[520282]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	2310.9	nM	PMID[520246]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	2113.6	nM	PMID[520280]
NPT50	Individual Protein	Tyrosyl-DNA phosphodiesterase 1	Homo sapiens	Potency	n.a.	1678.9	nM	PMID[520283]
NPT169	Cell Line	B16-F10	Mus musculus	IC50	>	10000.0	nM	PMID[520284]
NPT170	Cell Line	SK-MEL-28	Homo sapiens	IC50	=	211.0	nM	PMID[520284]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	27.0	nM	PMID[520284]
NPT306	Cell Line	PC-3	Homo sapiens	IC50	=	43.0	nM	PMID[520284]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	133.0	nM	PMID[520284]
NPT154	Individual Protein	Mothers against decapentaplegic homolog 3	Homo sapiens	Potency	n.a.	206.0	nM	PMID[520246]
NPT154	Individual Protein	Mothers against decapentaplegic homolog 3	Homo sapiens	Potency	n.a.	3662.6	nM	PMID[520246]
NPT154	Individual Protein	Mothers against decapentaplegic homolog 3	Homo sapiens	Potency	n.a.	366.3	nM	PMID[520246]
NPT49	Individual Protein	DNA-(apurinic or apyrimidinic site) lyase	Homo sapiens	Potency	n.a.	1412.5	nM	PMID[520244]
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	32.6	nM	PMID[520246]
NPT152	Individual Protein	Nuclear factor erythroid 2-related factor 2	Homo sapiens	Potency	n.a.	36.6	nM	PMID[520252]
NPT2	Others	Unspecified		Potency	n.a.	16.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	46.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	188.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	106.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	298.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	266	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	58	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	149.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	37.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	379	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	213.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	58.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	268.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	535.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	133.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	147	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	36.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	11882.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	237.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	73	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	9.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	167.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	530.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	1188.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	841.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	163.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	104.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	190	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	477.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	31.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	414.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	6.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	329.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	59.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	32.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	53.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	167.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	67.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	11.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	26.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	1198.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	2113.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	425.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	756.2	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	516.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	42.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	1883.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	75.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	82.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	13.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	20.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	20.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	1298.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	75	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	595.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	53.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	656.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	579.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	33.5	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	118.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	460.7	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	47.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	3757.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	29.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	169.3	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	150.9	nM	PubChem BioAssay data set
NPT74	Individual Protein	Proto-oncogene c-JUN	Homo sapiens	Potency	n.a.	329.1	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	92.8	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	119.9	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	6.6	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	65069.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	41.4	nM	PubChem BioAssay data set
NPT2	Others	Unspecified		Potency	n.a.	16785.5	nM	PubChem BioAssay data set
NPT35	Others	n.a.		LogP	=	1.99	n.a.	PMID[520214]
NPT938	Organism	Cavia porcellus	Cavia porcellus	Log B/F	=	1.062	n.a.	PMID[520214]
NPT27	Others	Unspecified		Binding energy	=	11.5	kCal mol-1	PMID[520215]
NPT897	Others	Monoclonal antibody (mAb)		IC50 ratio	=	4100.0	n.a.	PMID[520216]
NPT897	Others	Monoclonal antibody (mAb)		IC50 ratio	=	39000.0	n.a.	PMID[520216]
NPT897	Others	Monoclonal antibody (mAb)		IC50 ratio	=	38000.0	n.a.	PMID[520216]
NPT897	Others	Monoclonal antibody (mAb)		Relative Ki	=	7.0	n.a.	PMID[520216]
NPT938	Organism	Cavia porcellus	Cavia porcellus	Delta F75	=	0.00000029	M l-1	PMID[520217]
NPT27	Others	Unspecified		T1/2	=	0.2567	hr	PMID[520217]
NPT27	Others	Unspecified		T1/2	=	0.2633	hr	PMID[520217]
NPT615	Tissue	Skin	Homo sapiens	log Kp	=	-9.52	n.a.	PMID[520220]
NPT580	Organism	Trypanosoma cruzi	Trypanosoma cruzi	IC50	>	450000.0	nM	PMID[520221]
NPT580	Organism	Trypanosoma cruzi	Trypanosoma cruzi	IC90	=	953300.0	nM	PMID[520221]
NPT844	Organism	Trypanosoma brucei rhodesiense	Trypanosoma brucei rhodesiense	IC50	>	450000.0	nM	PMID[520221]
NPT844	Organism	Trypanosoma brucei rhodesiense	Trypanosoma brucei rhodesiense	IC90	=	1184000.0	nM	PMID[520221]
NPT633	Organism	Leishmania donovani	Leishmania donovani	IC50	>	450000.0	nM	PMID[520221]
NPT2	Others	Unspecified		Ratio IC50	>	6000000.0	n.a.	PMID[520222]
NPT2	Others	Unspecified		IC50	=	600.0	nM	PMID[520225]
NPT2	Others	Unspecified		Activity	=	11.6	%	PMID[520227]
NPT2	Others	Unspecified		Activity	=	10.5	%	PMID[520227]
NPT2	Others	Unspecified		Activity	=	12.0	%	PMID[520227]
NPT2	Others	Unspecified		IC50	=	150.0	nM	PMID[520228]
NPT2	Others	Unspecified		Inhibition	=	100.0	%	PMID[520230]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Survival	=	3.0	%	PMID[520231]
NPT605	Organism	Homo sapiens	Homo sapiens	Activity	=	0.01	%	PMID[520232]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	0.05	uM	PMID[520233]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	775.0	%	PMID[520233]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	249.0	%	PMID[520233]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Ratio	=	20.0	n.a.	PMID[520233]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	12589.25	nM	PMID[520236]
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	IZ	=	0.0	mm	PMID[520237]
NPT2	Others	Unspecified		EC50	=	64.0	nM	PMID[520239]
NPT2	Others	Unspecified		EC50	<	100.0	nM	PMID[520239]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Potency	=	14125.4	nM	PMID[520240]
NPT2	Others	Unspecified		EC50	=	84.0	nM	PMID[520239]
NPT536	Uncleic Acid	microRNA 21	Homo sapiens	Potency	=	46.5	nM	PMID[520239]
NPT93	Individual Protein	Survival motor neuron protein	Homo sapiens	Potency	=	223.9	nM	PMID[520239]
NPT93	Individual Protein	Survival motor neuron protein	Homo sapiens	Potency	=	100.0	nM	PMID[520238]
NPT93	Individual Protein	Survival motor neuron protein	Homo sapiens	Potency	=	354.8	nM	PMID[520240]
NPT93	Individual Protein	Survival motor neuron protein	Homo sapiens	Potency	=	281.8	nM	PMID[520242]
NPT2	Others	Unspecified		Potency	=	100.0	nM	PMID[520240]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Potency	=	11220.2	nM	PMID[520240]
NPT796	Individual Protein	Peripheral myelin protein 22	Homo sapiens	Potency	=	84921.4	nM	PMID[520243]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Potency	=	10000.0	nM	PMID[520240]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Potency	=	19952.6	nM	PMID[520240]
NPT2	Others	Unspecified		IC50	>	39841.0	nM	PMID[520239]
NPT2	Others	Unspecified		EC50	=	80.0	nM	PMID[520239]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Potency	=	7943.3	nM	PMID[520240]
NPT27	Others	Unspecified		log10(%HIA +10)	=	1.057	n.a.	PMID[520245]
NPT2	Others	Unspecified		Potency	n.a.	163.6	nM	PMID[520246]
NPT2	Others	Unspecified		IC50	=	4600.0	nM	PMID[520249]
NPT2890	Protein Complex	Sodium/potassium-transporting ATPase	Homo sapiens	IC50	=	6000.0	nM	PMID[520251]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency	n.a.	1345.9	nM	PMID[520238]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency	n.a.	147.2	nM	PMID[520239]
NPT7	Individual Protein	Thioredoxin reductase 1, cytoplasmic	Rattus norvegicus	Potency	n.a.	37685.8	nM	PMID[520243]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	Potency	n.a.	37.0	nM	PMID[520239]
NPT2	Others	Unspecified		Potency	n.a.	31.6	nM	PMID[520242]
NPT2	Others	Unspecified		Potency	n.a.	65.1	nM	PMID[520241]
NPT2	Others	Unspecified		Potency	n.a.	23.1	nM	PMID[520239]
NPT2	Others	Unspecified		Potency	n.a.	31.6	nM	PMID[520240]
NPT2	Others	Unspecified		Potency	n.a.	31.6	nM	PMID[520244]
NPT2	Others	Unspecified		Potency	n.a.	31.6	nM	PMID[520253]
NPT2	Others	Unspecified		IC50	=	678.0	nM	PMID[520254]
NPT2	Others	Unspecified		IC50	=	4000.0	nM	PMID[520255]
NPT27	Others	Unspecified		IC50	=	6.0	nM	PMID[520258]
NPT27	Others	Unspecified		IC50	=	55800.0	nM	PMID[520258]
NPT2	Others	Unspecified		IC50	=	6300.0	nM	PMID[520259]
NPT752	Individual Protein	Solute carrier organic anion transporter family member 1A1	Rattus norvegicus	Activity	=	52.0	%	PMID[520263]
NPT752	Individual Protein	Solute carrier organic anion transporter family member 1A1	Rattus norvegicus	Activity	=	61.0	%	PMID[520263]
NPT752	Individual Protein	Solute carrier organic anion transporter family member 1A1	Rattus norvegicus	Km	=	1700000.0	nM	PMID[520268]
NPT752	Individual Protein	Solute carrier organic anion transporter family member 1A1	Rattus norvegicus	Km	=	3000000.0	nM	PMID[520269]
NPT2	Others	Unspecified		Potency	n.a.	5623.4	nM	PMID[520239]
NPT2	Others	Unspecified		Potency	n.a.	316.2	nM	PMID[520246]
NPT72	Individual Protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	20.5	%	PMID[520275]
NPT73	Individual Protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	50.5	%	PMID[520275]
NPT67	Individual Protein	Cholinesterase	Equus caballus	Inhibition	=	5.11	%	PMID[520276]
NPT2	Others	Unspecified		IC50	=	5800.0	nM	PMID[520278]
NPT450	Organism	Meloidogyne incognita	Meloidogyne incognita	EC50	>	1000.0	ug.mL-1	PMID[520279]
NPT450	Organism	Meloidogyne incognita	Meloidogyne incognita	EC100	>	1000.0	mg/L	PMID[520279]
NPT2	Others	Unspecified		Potency	n.a.	206.0	nM	PMID[520246]
NPT2	Others	Unspecified		AbsAC35	=	0.0738	uM	PMID[520246]
NPT861	Individual Protein	Isocitrate dehydrogenase [NADP] cytoplasmic	Homo sapiens	Potency	n.a.	130.0	nM	PMID[520246]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	>	10000.0	nM	PMID[520284]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	77.0	nM	PMID[520284]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	28.0	nM	PMID[520284]
NPT2890	Protein Complex	Sodium/potassium-transporting ATPase	Homo sapiens	LC50	=	9400.0	nM	PMID[520285]
NPT72	Individual Protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	98.13	%	PMID[520287]
NPT73	Individual Protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	108.07	%	PMID[520287]
NPT2	Others	Unspecified		Max_Activity	=	2.85	uM	PMID[520246]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Potency	n.a.	4.7	nM	PMID[520288]
NPT2	Others	Unspecified		AC50	=	3380.0	nM	PMID[520246]
NPT2	Others	Unspecified		Potency	n.a.	89.1	nM	PMID[520246]
NPT2	Others	Unspecified		Potency	n.a.	7943.3	nM	PMID[520252]
NPT2	Others	Unspecified		AbsAC35_uM	=	0.105	uM	PMID[520246]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Potency	n.a.	530.5	nM	PMID[520288]
NPT2	Others	Unspecified		Potency	n.a.	290.9	nM	PMID[520246]
NPT2	Others	Unspecified		Potency	n.a.	31.6	nM	PMID[520281]
NPT2	Others	Unspecified		Potency	n.a.	316.2	nM	PMID[520282]
NPT2	Others	Unspecified		Potency	n.a.	5623.4	nM	PMID[520280]
NPT2	Others	Unspecified		Potency	n.a.	354813.4	nM	PMID[520283]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	AbsAC35_uM	=	0.201	uM	PMID[520246]
NPT2	Others	Unspecified		Potency	n.a.	3.5	nM	PMID[520252]
NPT2	Others	Unspecified		Potency	n.a.	100.0	nM	PMID[520246]
NPT2	Others	Unspecified		Potency	n.a.	65.1	nM	PMID[520246]
NPT2	Others	Unspecified		Potency	n.a.	58.0	nM	PMID[520252]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Potency	n.a.	1.3	nM	PMID[520288]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	AbsAC35_uM	=	0.129	uM	PMID[520246]
NPT2	Others	Unspecified		Potency	n.a.	25118.9	nM	PMID[520281]
NPT2	Others	Unspecified		Potency	n.a.	25118.9	nM	PMID[520282]
NPT2	Others	Unspecified		Potency	n.a.	3981.1	nM	PMID[520280]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	AbsAC35_uM	=	0.0877	uM	PMID[520246]
NPT2	Others	Unspecified		Potency	n.a.	6309.6	nM	PMID[520283]
NPT2	Others	Unspecified		IC50	=	200.0	nM	PMID[520289]
NPT2	Others	Unspecified		IC50	=	500.0	nM	PMID[520289]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	=	201.0	mg	PMID[520289]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Activity	>	600.0	mg	PMID[520289]
NPT2	Others	Unspecified		IC50	=	500.0	nM	PMID[520291]
NPT2	Others	Unspecified		IC50	=	40.0	nM	PMID[520291]
NPT2	Others	Unspecified		MIC	=	3.3	ug.mL-1	PMID[520292]
NPT2	Others	Unspecified		IC50	>	100000.0	nM	PMID[520292]
NPT2	Others	Unspecified		Ac50	n.a.	0.6108	uM	PMID[520293]
NPT2	Others	Unspecified		AC50	n.a.	17782.8	nM	PMID[520293]
NPT2	Others	Unspecified		Ac50	n.a.	8.913	uM	PMID[520293]
NPT2	Others	Unspecified		Ac50	n.a.	0.2432	uM	PMID[520293]
NPT2	Others	Unspecified		Ac50	n.a.	17.78	uM	PMID[520293]
NPT2	Others	Unspecified		Potency	n.a.	1258.9	nM	PMID[520282]
NPT2	Others	Unspecified		AC50	n.a.	8912.5	nM	PMID[520293]
NPT2	Others	Unspecified		Ac50	n.a.	0.4852	uM	PMID[520293]
NPT2	Others	Unspecified		AC50	n.a.	707.9	nM	PMID[520293]
NPT2	Others	Unspecified		Ac50	n.a.	0.7079	uM	PMID[520293]
NPT2	Others	Unspecified		IC50	=	6430.0	nM	PMID[520294]
NPT2	Others	Unspecified		IC50	=	3800.0	nM	PMID[520295]
NPT2890	Protein Complex	Sodium/potassium-transporting ATPase	Homo sapiens	IC50	=	3.4	ug.mL-1	PMID[520296]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	52.0	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	42200.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	340.17	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	87.5	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	151.7	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	25500000.0	nM	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	101.83	mEq.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	681.7	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	379.67	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	1.7	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1816.7	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	256.17	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	8.0	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	121.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	5.88	mEq.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	143.67	mEq.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	1.8	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	59200.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	17.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BASO	=	0.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	130.33	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	10030.67	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	41.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1298.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BASOLE	=	0.0	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	1.0	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5220000.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	33.53	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	127300.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	11500.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	87.67	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	24.45	pg	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	379700.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	64.33	fL	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	0.33	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	11.0	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBCNUC	=	0.0	/100WBC	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1310500.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	45.33	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	43300.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	351.83	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	73.5	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	178.3	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	24670000.0	nM	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	100.0	mEq.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	670.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	284.0	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	2.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1523.3	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	108.67	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	8.17	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	111.7	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.14	mEq.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	144.68	mEq.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	2.2	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	60800.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	12.7	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	31.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	9599.17	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	52.83	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1050.33	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	0.33	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5530000.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	35.8	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	135300.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	10730.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	89.0	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	24.47	pg	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	378200.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	64.7	fL	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	0.5	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	10.17	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1028500.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	52.67	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	42000.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	382.67	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	73.67	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	150.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	27000000.0	nM	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	99.0	mEq.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	703.3	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	215.33	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	1.6	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1663.3	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	88.0	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	122.3	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.54	mEq.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	144.1	mEq.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	2.7	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	59300.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	19.7	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	189.33	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	10886.33	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	47.33	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1443.67	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	1.33	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5550000.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	35.67	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	132000.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	12570.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	86.67	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	23.77	pg	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	370000.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	64.2	fL	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	11.67	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1296000.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALT	=	44.0	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	43000.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	417.67	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	84.33	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	173.3	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	25670000.0	nM	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	102.33	mEq.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	746.7	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	260.0	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	2.6	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1673.3	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	187.67	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	8.67	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	118.3	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.55	mEq.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	145.07	mEq.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	1.7	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	62000.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	18.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	66.67	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	12127.33	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	105.67	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1600.33	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOSLE	=	0.67	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5760000.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	36.63	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	137000.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	13900.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	88.33	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	374000.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	63.6	fL	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONOLE	=	0.67	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	10.33	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1337670.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	44000.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	417.0	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	82.0	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	153.3	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	26670000.0	nM	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHLORIDE	=	100.67	mEq.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CHOL	=	756.7	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	273.67	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CREAT	=	2.1	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1750.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	85.67	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	121.7	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.62	mEq.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	144.23	mEq.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	2.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	64700.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	24.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	190.33	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	13964.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	80.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	1132.33	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5570000.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	15370.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	90.67	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	24.43	pg	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	380700.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	64.23	fL	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	7.33	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	1361000.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALB	=	44700.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ALP	=	451.33	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	AST	=	85.0	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BUN	=	186.7	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CO2	=	24330000.0	nM	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	CK	=	237.33	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	GLUC	=	1340.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LDH	=	134.33	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LIPASE	=	8.33	U.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PHOS	=	94.7	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	POTASSIUM	=	6.26	mEq.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	SODIUM	=	144.4	mEq.L-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	BILI	=	2.3	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PROT	=	64300.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	URATE	=	7.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	EOS	=	54.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYM	=	8214.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MONO	=	29.67	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTSG	=	435.67	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	RBC	=	5400000.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HCT	=	33.93	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	HGB	=	130000.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	WBC	=	8730.0	cells.uL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	LYMLE	=	94.0	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCH	=	24.2	pg	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCHC	=	383300.0	ug.mL-1	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	MCV	=	63.07	fL	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	NEUTLE	=	5.0	%	PMID[520297]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	PLAT	=	982670.0	cells.uL-1	PMID[520297]
NPT713	Individual Protein	Bile salt export pump	Homo sapiens	IC50	>	1000000.0	nM	PMID[520298]
NPT26691	PROTEIN COMPLEX	N+/K+ ATPase alpha-4/beta-1	Rattus norvegicus	IC50	=	4.3	nM	PMID[520299]
NPT98	Individual Protein	HERG	Homo sapiens	IC50	=	5800.0	nM	PMID[520299]
NPT2	Others	Unspecified		Ratio IC50	=	10000.0	n.a.	PMID[520299]
NPT2	Others	Unspecified		Ratio IC50	=	100.0	n.a.	PMID[520299]
NPT2890	Protein Complex	Sodium/potassium-transporting ATPase	Homo sapiens	IC50	=	6600.0	nM	PMID[520300]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	20000.0	nM	PMID[520301]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	19952.62	nM	PMID[520301]
NPT27017	PROTEIN COMPLEX	N+/K+ ATPase alpha-4/beta-3	Rattus norvegicus	IC50	=	1.8	nM	PMID[520299]
NPT27018	PROTEIN COMPLEX	Na+/K+ ATPase alpha-3/beta-1	Rattus norvegicus	IC50	=	31.0	nM	PMID[520299]
NPT27019	PROTEIN COMPLEX	Na+/K+ ATPase alpha-2/beta-1	Rattus norvegicus	IC50	=	170.0	nM	PMID[520299]
NPT27020	PROTEIN COMPLEX	Na+/K+ ATPase alpha-1/beta-1	Rattus norvegicus	IC50	=	4300.0	nM	PMID[520299]

☑ 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 NPC83287 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	251
0.1-0.2	1739
0.2-0.3	5154
0.3-0.4	10715
0.4-0.5	10513
0.5-0.6	6471
0.6-0.7	4601
0.7-0.8	2598
0.8-0.85	364
0.85-0.9	130
0.9-0.95	106
0.95-1	55

Similarity Score	Similarity Level	Natural Product ID
0.9907	High Similarity	NPC196429
0.9907	High Similarity	NPC158344
0.9907	High Similarity	NPC474418
0.9907	High Similarity	NPC471355
0.9907	High Similarity	NPC99728
0.9907	High Similarity	NPC471353
0.9907	High Similarity	NPC50305
0.9907	High Similarity	NPC87250
0.9907	High Similarity	NPC142066
0.9907	High Similarity	NPC27507
0.9907	High Similarity	NPC34390
0.9907	High Similarity	NPC77319
0.9907	High Similarity	NPC84987
0.9907	High Similarity	NPC309034
0.9907	High Similarity	NPC471351
0.9907	High Similarity	NPC471354
0.9907	High Similarity	NPC244402
0.9907	High Similarity	NPC157376
0.9907	High Similarity	NPC243196
0.9907	High Similarity	NPC473852
0.9815	High Similarity	NPC5311
0.9815	High Similarity	NPC310341
0.9815	High Similarity	NPC199428
0.9815	High Similarity	NPC99620
0.9815	High Similarity	NPC193382
0.9725	High Similarity	NPC152615
0.9725	High Similarity	NPC93883
0.9722	High Similarity	NPC31354
0.9722	High Similarity	NPC69576
0.9722	High Similarity	NPC471633
0.9722	High Similarity	NPC84949
0.9643	High Similarity	NPC264336
0.964	High Similarity	NPC475629
0.964	High Similarity	NPC475556
0.964	High Similarity	NPC474466
0.964	High Similarity	NPC475136
0.9554	High Similarity	NPC173555
0.9554	High Similarity	NPC314535
0.955	High Similarity	NPC30483
0.955	High Similarity	NPC470897
0.955	High Similarity	NPC44899
0.955	High Similarity	NPC292467
0.955	High Similarity	NPC29639
0.955	High Similarity	NPC329905
0.955	High Similarity	NPC469756
0.955	High Similarity	NPC304260
0.955	High Similarity	NPC5883
0.955	High Similarity	NPC236973
0.955	High Similarity	NPC32177
0.955	High Similarity	NPC55532
0.9545	High Similarity	NPC290693
0.9545	High Similarity	NPC203862
0.9464	High Similarity	NPC72260
0.9386	High Similarity	NPC308262
0.9386	High Similarity	NPC117445
0.9386	High Similarity	NPC208193
0.9381	High Similarity	NPC475419
0.9381	High Similarity	NPC231518
0.9381	High Similarity	NPC474908
0.9381	High Similarity	NPC40749
0.9381	High Similarity	NPC475219
0.9381	High Similarity	NPC120390
0.9381	High Similarity	NPC475590
0.9298	High Similarity	NPC115349
0.9298	High Similarity	NPC474423
0.9298	High Similarity	NPC193893
0.9298	High Similarity	NPC74259
0.9286	High Similarity	NPC218093
0.9259	High Similarity	NPC475030
0.9217	High Similarity	NPC27363
0.9204	High Similarity	NPC81222
0.9204	High Similarity	NPC291820
0.9145	High Similarity	NPC469757
0.9145	High Similarity	NPC471356
0.9145	High Similarity	NPC179412
0.9145	High Similarity	NPC117702
0.9145	High Similarity	NPC471357
0.9145	High Similarity	NPC146456
0.9123	High Similarity	NPC107607
0.906	High Similarity	NPC250556
0.906	High Similarity	NPC469750
0.9035	High Similarity	NPC268326
0.9035	High Similarity	NPC153085
0.8992	High Similarity	NPC9499
0.8992	High Similarity	NPC251866
0.8992	High Similarity	NPC471352
0.8992	High Similarity	NPC6108
0.8992	High Similarity	NPC469755
0.8992	High Similarity	NPC469754
0.8992	High Similarity	NPC471359
0.8992	High Similarity	NPC469751
0.8992	High Similarity	NPC197707
0.8992	High Similarity	NPC471358
0.8992	High Similarity	NPC469752
0.8992	High Similarity	NPC471361
0.8992	High Similarity	NPC17896
0.8992	High Similarity	NPC180079
0.8992	High Similarity	NPC89514
0.8992	High Similarity	NPC284406
0.8992	High Similarity	NPC471360
0.8992	High Similarity	NPC10823
0.8992	High Similarity	NPC86159
0.8992	High Similarity	NPC70542
0.8992	High Similarity	NPC469753
0.8992	High Similarity	NPC219085
0.8983	High Similarity	NPC329784
0.8983	High Similarity	NPC240070
0.8957	High Similarity	NPC470312
0.8909	High Similarity	NPC473570
0.8843	High Similarity	NPC93416
0.8833	High Similarity	NPC125077
0.8833	High Similarity	NPC140092
0.8833	High Similarity	NPC276838
0.8833	High Similarity	NPC188234
0.8833	High Similarity	NPC329986
0.8833	High Similarity	NPC232785
0.8807	High Similarity	NPC473199
0.8807	High Similarity	NPC51719
0.8803	High Similarity	NPC471082
0.8796	High Similarity	NPC160583
0.8796	High Similarity	NPC97487
0.8796	High Similarity	NPC196471
0.8796	High Similarity	NPC472821
0.8796	High Similarity	NPC10232
0.8796	High Similarity	NPC189588
0.8796	High Similarity	NPC187302
0.8793	High Similarity	NPC135369
0.8793	High Similarity	NPC257610
0.8772	High Similarity	NPC207637
0.877	High Similarity	NPC116075
0.877	High Similarity	NPC247190
0.877	High Similarity	NPC146857
0.877	High Similarity	NPC469749
0.877	High Similarity	NPC32793
0.876	High Similarity	NPC159338
0.876	High Similarity	NPC16569
0.876	High Similarity	NPC253456
0.875	High Similarity	NPC311534
0.8739	High Similarity	NPC206618
0.8727	High Similarity	NPC472820
0.8727	High Similarity	NPC471205
0.8727	High Similarity	NPC122816
0.871	High Similarity	NPC59288
0.8699	High Similarity	NPC329636
0.8689	High Similarity	NPC42670
0.8689	High Similarity	NPC19124
0.8678	High Similarity	NPC91
0.8673	High Similarity	NPC475354
0.8673	High Similarity	NPC473567
0.8673	High Similarity	NPC216595
0.8661	High Similarity	NPC191439
0.8661	High Similarity	NPC170974
0.8661	High Similarity	NPC103627
0.8661	High Similarity	NPC177047
0.8649	High Similarity	NPC473517
0.8649	High Similarity	NPC38217
0.8649	High Similarity	NPC472988
0.8649	High Similarity	NPC38948
0.8644	High Similarity	NPC196130
0.8636	High Similarity	NPC220217
0.8636	High Similarity	NPC186668
0.8636	High Similarity	NPC472818
0.8636	High Similarity	NPC119855
0.8629	High Similarity	NPC194716
0.8624	High Similarity	NPC281378
0.8621	High Similarity	NPC475403
0.8621	High Similarity	NPC160888
0.8618	High Similarity	NPC477709
0.8618	High Similarity	NPC476221
0.8618	High Similarity	NPC225385
0.8618	High Similarity	NPC298783
0.8618	High Similarity	NPC104585
0.8618	High Similarity	NPC157817
0.8611	High Similarity	NPC25177
0.8611	High Similarity	NPC11974
0.8611	High Similarity	NPC247701
0.8611	High Similarity	NPC222875
0.8611	High Similarity	NPC295110
0.8611	High Similarity	NPC268829
0.8596	High Similarity	NPC144068
0.8584	High Similarity	NPC114188
0.8571	High Similarity	NPC473328
0.8571	High Similarity	NPC154085
0.8571	High Similarity	NPC125361
0.8571	High Similarity	NPC51925
0.8571	High Similarity	NPC472901
0.8571	High Similarity	NPC28844
0.8571	High Similarity	NPC473318
0.8571	High Similarity	NPC43976
0.8571	High Similarity	NPC296761
0.856	High Similarity	NPC329675
0.8559	High Similarity	NPC234160
0.8559	High Similarity	NPC233500
0.8547	High Similarity	NPC473633
0.8547	High Similarity	NPC195560
0.8547	High Similarity	NPC229962
0.8547	High Similarity	NPC476085
0.8545	High Similarity	NPC472819
0.8534	High Similarity	NPC476690
0.8534	High Similarity	NPC100048

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 NPC83287 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	217
0.1-0.2	1861
0.2-0.3	4100
0.3-0.4	1972
0.4-0.5	534
0.5-0.6	280
0.6-0.7	148
0.7-0.8	24
0.8-0.85	1
0.85-0.9	0
0.9-0.95	10
0.95-1	3

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD7328	Approved
1.0	High Similarity	NPD7327	Approved
0.9908	High Similarity	NPD7516	Approved
0.9554	High Similarity	NPD8296	Approved
0.9554	High Similarity	NPD8335	Approved
0.9554	High Similarity	NPD8378	Approved
0.9554	High Similarity	NPD8380	Approved
0.9554	High Similarity	NPD8379	Approved
0.9464	High Similarity	NPD8294	Approved
0.9464	High Similarity	NPD8377	Approved
0.9381	High Similarity	NPD8033	Approved
0.906	High Similarity	NPD7507	Approved
0.8992	High Similarity	NPD7319	Approved
0.8718	High Similarity	NPD7503	Approved
0.8158	Intermediate Similarity	NPD6686	Approved
0.7966	Intermediate Similarity	NPD8133	Approved
0.7928	Intermediate Similarity	NPD7638	Approved
0.7913	Intermediate Similarity	NPD6412	Phase 2
0.7857	Intermediate Similarity	NPD7640	Approved
0.7857	Intermediate Similarity	NPD7639	Approved
0.7717	Intermediate Similarity	NPD7736	Approved
0.7664	Intermediate Similarity	NPD7625	Phase 1
0.75	Intermediate Similarity	NPD8293	Discontinued
0.7479	Intermediate Similarity	NPD4061	Clinical (unspecified phase)
0.746	Intermediate Similarity	NPD6370	Approved
0.7344	Intermediate Similarity	NPD7492	Approved
0.7302	Intermediate Similarity	NPD6054	Approved
0.7302	Intermediate Similarity	NPD6059	Approved
0.7295	Intermediate Similarity	NPD6882	Approved
0.7287	Intermediate Similarity	NPD6616	Approved
0.7273	Intermediate Similarity	NPD5955	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD8328	Phase 3
0.7265	Intermediate Similarity	NPD7632	Discontinued
0.7231	Intermediate Similarity	NPD7078	Approved
0.72	Intermediate Similarity	NPD7115	Discovery
0.72	Intermediate Similarity	NPD6009	Approved
0.719	Intermediate Similarity	NPD8132	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD5344	Discontinued
0.7168	Intermediate Similarity	NPD8171	Discontinued
0.7165	Intermediate Similarity	NPD6319	Approved
0.7154	Intermediate Similarity	NPD8297	Approved
0.7109	Intermediate Similarity	NPD6015	Approved
0.7109	Intermediate Similarity	NPD6016	Approved
0.7107	Intermediate Similarity	NPD7320	Approved
0.7097	Intermediate Similarity	NPD4632	Approved
0.7083	Intermediate Similarity	NPD5739	Approved
0.7083	Intermediate Similarity	NPD6675	Approved
0.7083	Intermediate Similarity	NPD6402	Approved
0.7083	Intermediate Similarity	NPD7128	Approved
0.7054	Intermediate Similarity	NPD5988	Approved
0.7049	Intermediate Similarity	NPD6372	Approved
0.7049	Intermediate Similarity	NPD6373	Approved
0.7025	Intermediate Similarity	NPD5954	Clinical (unspecified phase)
0.7009	Intermediate Similarity	NPD4225	Approved
0.7	Intermediate Similarity	NPD6067	Discontinued
0.6967	Remote Similarity	NPD6881	Approved
0.6967	Remote Similarity	NPD6899	Approved
0.6935	Remote Similarity	NPD6650	Approved
0.6935	Remote Similarity	NPD6649	Approved
0.6929	Remote Similarity	NPD8295	Clinical (unspecified phase)
0.6903	Remote Similarity	NPD6051	Approved
0.6885	Remote Similarity	NPD5697	Approved
0.6885	Remote Similarity	NPD5701	Approved
0.688	Remote Similarity	NPD6053	Discontinued
0.686	Remote Similarity	NPD8170	Clinical (unspecified phase)
0.6855	Remote Similarity	NPD6883	Approved
0.6855	Remote Similarity	NPD7290	Approved
0.6855	Remote Similarity	NPD7102	Approved
0.6852	Remote Similarity	NPD7525	Registered
0.6846	Remote Similarity	NPD8515	Approved
0.6846	Remote Similarity	NPD8517	Approved
0.6846	Remote Similarity	NPD8516	Approved
0.6846	Remote Similarity	NPD8513	Phase 3
0.6829	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.6807	Remote Similarity	NPD6648	Approved
0.6803	Remote Similarity	NPD6008	Approved
0.68	Remote Similarity	NPD6847	Approved
0.68	Remote Similarity	NPD6869	Approved
0.68	Remote Similarity	NPD8130	Phase 1
0.68	Remote Similarity	NPD6617	Approved
0.6791	Remote Similarity	NPD6033	Approved
0.678	Remote Similarity	NPD6083	Phase 2
0.678	Remote Similarity	NPD6084	Phase 2
0.6774	Remote Similarity	NPD6013	Approved
0.6774	Remote Similarity	NPD6014	Approved
0.6774	Remote Similarity	NPD6012	Approved
0.6742	Remote Similarity	NPD7604	Phase 2
0.6726	Remote Similarity	NPD7524	Approved
0.6718	Remote Similarity	NPD5983	Phase 2
0.6697	Remote Similarity	NPD6928	Phase 2
0.6694	Remote Similarity	NPD6011	Approved
0.6667	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6642	Remote Similarity	NPD6336	Discontinued
0.6639	Remote Similarity	NPD4755	Approved
0.6607	Remote Similarity	NPD6400	Clinical (unspecified phase)
0.6607	Remote Similarity	NPD7338	Clinical (unspecified phase)
0.6594	Remote Similarity	NPD8449	Approved
0.6587	Remote Similarity	NPD4634	Approved
0.6583	Remote Similarity	NPD8029	Clinical (unspecified phase)
0.6581	Remote Similarity	NPD4202	Approved
0.6557	Remote Similarity	NPD5211	Phase 2
0.6552	Remote Similarity	NPD6698	Approved
0.6552	Remote Similarity	NPD46	Approved
0.6547	Remote Similarity	NPD8450	Suspended
0.6535	Remote Similarity	NPD8413	Clinical (unspecified phase)
0.6529	Remote Similarity	NPD4696	Approved
0.6529	Remote Similarity	NPD5286	Approved
0.6529	Remote Similarity	NPD5285	Approved
0.6529	Remote Similarity	NPD4700	Approved
0.6525	Remote Similarity	NPD7748	Approved
0.6522	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6518	Remote Similarity	NPD6695	Phase 3
0.65	Remote Similarity	NPD7902	Approved
0.6496	Remote Similarity	NPD8034	Phase 2
0.6496	Remote Similarity	NPD7637	Suspended
0.6496	Remote Similarity	NPD7515	Phase 2
0.6496	Remote Similarity	NPD8035	Phase 2
0.648	Remote Similarity	NPD7899	Clinical (unspecified phase)
0.6475	Remote Similarity	NPD4159	Approved
0.6471	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.6471	Remote Similarity	NPD5695	Phase 3
0.6462	Remote Similarity	NPD6274	Approved
0.6457	Remote Similarity	NPD6371	Approved
0.6452	Remote Similarity	NPD5141	Approved
0.6446	Remote Similarity	NPD5696	Approved
0.6441	Remote Similarity	NPD6399	Phase 3
0.6439	Remote Similarity	NPD7100	Approved
0.6439	Remote Similarity	NPD7101	Approved
0.6435	Remote Similarity	NPD4751	Clinical (unspecified phase)
0.6423	Remote Similarity	NPD5224	Approved
0.6423	Remote Similarity	NPD5226	Approved
0.6423	Remote Similarity	NPD4633	Approved
0.6423	Remote Similarity	NPD5225	Approved
0.641	Remote Similarity	NPD7838	Discovery
0.6404	Remote Similarity	NPD7520	Clinical (unspecified phase)
0.64	Remote Similarity	NPD4768	Approved
0.64	Remote Similarity	NPD4767	Approved
0.6379	Remote Similarity	NPD6903	Approved
0.6371	Remote Similarity	NPD5175	Approved
0.6371	Remote Similarity	NPD5174	Approved
0.6364	Remote Similarity	NPD6335	Approved
0.6358	Remote Similarity	NPD7799	Discontinued
0.6356	Remote Similarity	NPD5693	Phase 1
0.6348	Remote Similarity	NPD6684	Approved
0.6348	Remote Similarity	NPD7334	Approved
0.6348	Remote Similarity	NPD7146	Approved
0.6348	Remote Similarity	NPD5330	Approved
0.6348	Remote Similarity	NPD7521	Approved
0.6348	Remote Similarity	NPD6409	Approved
0.6343	Remote Similarity	NPD6909	Approved
0.6343	Remote Similarity	NPD6921	Approved
0.6343	Remote Similarity	NPD6908	Approved
0.6341	Remote Similarity	NPD5223	Approved
0.6331	Remote Similarity	NPD5956	Approved
0.6325	Remote Similarity	NPD5328	Approved
0.6325	Remote Similarity	NPD4753	Phase 2
0.6306	Remote Similarity	NPD7645	Phase 2
0.6299	Remote Similarity	NPD4730	Approved
0.6299	Remote Similarity	NPD4729	Approved
0.6293	Remote Similarity	NPD7750	Discontinued
0.6288	Remote Similarity	NPD6317	Approved
0.6261	Remote Similarity	NPD6082	Clinical (unspecified phase)
0.625	Remote Similarity	NPD6931	Approved
0.625	Remote Similarity	NPD6930	Phase 2
0.625	Remote Similarity	NPD7900	Approved
0.625	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.6241	Remote Similarity	NPD8338	Approved
0.6241	Remote Similarity	NPD6314	Approved
0.6241	Remote Similarity	NPD6313	Approved
0.624	Remote Similarity	NPD4754	Approved
0.6232	Remote Similarity	NPD8074	Phase 3
0.6222	Remote Similarity	NPD6291	Clinical (unspecified phase)
0.6218	Remote Similarity	NPD6079	Approved
0.6207	Remote Similarity	NPD3618	Phase 1
0.6202	Remote Similarity	NPD5250	Approved
0.6202	Remote Similarity	NPD5247	Approved
0.6202	Remote Similarity	NPD5249	Phase 3
0.6202	Remote Similarity	NPD5248	Approved
0.6202	Remote Similarity	NPD5251	Approved
0.6186	Remote Similarity	NPD6904	Approved
0.6186	Remote Similarity	NPD6673	Approved
0.6186	Remote Similarity	NPD6080	Approved
0.6182	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6174	Remote Similarity	NPD3133	Approved
0.6174	Remote Similarity	NPD3666	Approved
0.6174	Remote Similarity	NPD3665	Phase 1
0.6172	Remote Similarity	NPD5128	Approved
0.6161	Remote Similarity	NPD6929	Approved
0.6161	Remote Similarity	NPD4195	Approved
0.614	Remote Similarity	NPD4752	Clinical (unspecified phase)
0.6116	Remote Similarity	NPD6001	Approved
0.6106	Remote Similarity	NPD7514	Phase 3
0.6102	Remote Similarity	NPD6672	Approved
0.6102	Remote Similarity	NPD5737	Approved
0.6091	Remote Similarity	NPD6942	Approved
0.6091	Remote Similarity	NPD7339	Approved
0.609	Remote Similarity	NPD6940	Discontinued
0.6083	Remote Similarity	NPD7087	Discontinued
0.6083	Remote Similarity	NPD5284	Approved
0.6083	Remote Similarity	NPD5281	Approved

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