NPASS Compound

Natural Product: NPC50362

Natural Product ID	NPC50362
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	Parthenolide
IUPAC Name	n.a.
Synonyms	Parthenolide
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	CHEMBL540445
PubChem CID	6473881
Chemical Classification	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000012] Lipids and lipid-like molecules [CHEMONTID:0000259] Prenol lipids [CHEMONTID:0001283] Terpene lactones [CHEMONTID:0001543] Sesquiterpene lactones [CHEMONTID:0001771] Germacranolides and derivatives

The Chemical Classification was calculated by Classyfire, a software for chemical taxonomy calculation. Reference: DOI:10.1186/s13321-016-0174-y.

Chemical Representations

RDKit 3D 38 40 0 0 0 0 0 0 0 0999 V2000 2.1897 -1.1590 1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7215 -1.0040 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8378 0.0895 -0.7569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 1.3425 -0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3275 2.0541 0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1429 2.2045 -0.3175 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1114 3.6836 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0005 1.4073 -0.1914 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0073 0.1013 0.5649 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1450 -1.1126 -0.2564 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3376 -2.3386 0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0112 -2.1872 -0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5877 -1.5376 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1315 -2.6183 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2436 -0.5031 0.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4969 -0.2827 0.6025 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 0.1492 1.3288 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1846 1.3624 -1.3476 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7605 -0.2896 1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4191 -1.4112 2.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9678 -1.9872 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5011 0.1018 -1.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7532 2.0076 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 1.1510 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1887 1.4803 1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7413 3.0388 0.8589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0337 3.7804 -1.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0599 4.2962 0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 3.9487 -1.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0028 1.8363 -0.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2619 0.0698 1.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9802 -0.8708 -1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8311 -3.2789 -0.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0999 -2.3039 1.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5951 -3.0931 -0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -1.9580 -1.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5312 -3.3101 -1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1786 -2.8595 -0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 6 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 15 17 1 0 8 18 1 0 12 2 1 0 18 6 1 0 17 9 1 0 1 19 1 0 1 20 1 0 1 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 7 27 1 0 7 28 1 0 7 29 1 0 8 30 1 6 9 31 1 1 10 32 1 6 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 14 37 1 0 14 38 1 0 M END

Standard InCHIKey	KTEXNACQROZXEV-SLXBATTESA-N
Standard InCHI	InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1
SMILES	C/C/1=CCC[C@]2(C)[C@H]([C@@H]3[C@@H](CC1)C(=C)C(=O)O3)O2

Calculated Properties

Physi-Chem Properties

Molecular Weight:	248.14	Volume:	260.788 ? Van der Waals volume.
Dense:	0.952	LogP:	2.733 ? The logarithm of the n-octanol/water distribution coefficients.
logD7.4:	2.811 ? The logarithm of the n-octanol/water distribution coefficient at pH=7.4.	LogS:	-3.188 ? The logarithm of aqueous solubility value.
Rotatable Bonds:	0.0	Rigid Bonds:	18.0
TPSA:	38.83 ? Topological Polar Surface Area.	H-Bond Acceptor:	3.0
H-Bond Donor:	0.0	Rings:	3.0
Heavy Atoms:	3.0

MedChem Properties

QED Drug-Likeness Score:	0.286	GASA:	1.0 ? GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:	4.723	Fsp³:	0.667
MCE-18:	47.52 ? MCE-18 stands for medicinal chemistry evolution.MCE-18≥45 is considered a suitable value.	Lipinski Rule-of-5:	Rejected
Pfizer Rule:	Rejected	GSK Rule:	Rejected
Golden Triangle Rule:	Rejected	BMS Rule:	1
Chelating Alert:	0	PAINS Alert:	0
Colloidal aggregators:	0.318	Fluc inhibitor:	0.273 ? The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:	0.009 ? The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1	Green fluorescence:	0.085 ? The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:	0.774	Promiscuous compounds:	0.56

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:	-4.789	MDCK Permeability:	-4.865
Pgp-inhibitor:	0.978	Pgp-substrate:	0.002
PAMPA:	0.058 ? The experimental data for Peff was logarithmically transformed (logPeff). Molecules with log Peff values below 2.0 were classified as low-permeability (Category 0), while those with log Peff values exceeding 2.5 were classified as high-permeability (Category 1).	Human Intestinal Absorption (HIA):	0.212
20% Bioavailability (F20%):	0.42	30% Bioavailability (F30%):	0.947
50% Bioavailability (F50%):	0.972

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.012	MRP1:	0.62
Plasma Protein Binding (PPB):	85.485%	Volume Distribution (VD):	0.166
Fu:	13.2% ? The fraction unbound in plasms.	OATP1B1 inhibitor:	1.0
OATP1B3 inhibitor:	1.0	BCRP inhibitor:	0.083
BSEP inhibitor:	0.999

ADMET: Metabolism

CYP1A2-inhibitor:	0.28	CYP1A2-substrate:	0.26
CYP2C19-inhibitor:	0.562	CYP2C19-substrate:	0.026
CYP2C9-inhibitor:	0.866	CYP2C9-substrate:	0.007
CYP2D6-inhibitor:	0.199	CYP2D6-substrate:	0.152
CYP3A4-inhibitor:	0.45	CYP3A4-substrate:	0.94
CYP2B6-substrate:	0.002	CYP2C8-inhibitor:	0.635
HLM stability:	0.409 ? Human liver microsomal (HLM) stability. Category 0: stable+ (HLM > 30 min); Category 1: unstable- (HLM ≤ 30 min). The output value is the probability of human liver microsomal instability, where a value closer to 1 indicates a higher likelihood of instability.

ADMET: Excretion

Clearance (CL):

9.928

Half-life (T1/2):

1.343

ADMET: Toxicity

hERG Blockers:	0.036	hERG Blockers (10um):	0.152
Human Hepatotoxicity (H-HT):	0.663	Drug-induced Liver Injury (DILI):	0.704
AMES Toxicity:	0.475	Rat Oral Acute Toxicity:	0.165
Maximum Recommended Daily Dose:	0.194	Skin Sensitization:	0.983
Carcinogencity:	0.551	Eye Corrosion:	0.635
Eye Irritation:	0.984	Respiratory Toxicity:	0.139
Drug-induced Neurotoxicity:	0.399	Ototoxicity:	0.339
Hematotoxicity:	0.374	Drug-induced Nephrotoxicity:	0.569
Genotoxicity:	0.042	RPMI-8226 Immunitoxicity:	0.083
A549 Cytotoxicity:	0.114	Hek293 Cytotoxicity:	0.217
BCF:	2.099 ? Bioconcentration factors are used for considering secondary poisoning potential and assessing risks to human health via the food chain. The unit is -log10[(mg/L)/(1000*MW)].	IGC50:	4.396 ? 48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:	6.013 ? 48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].	LC50FM:	5.564 ? 96 hour fathead minnow LC50. The unit of LC50FM is -log10[(mg/L)/(1000*MW)].

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO40799	Bovine platelets	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[1431933]
NPO9965	Eurycoma longifolia	Species	Simaroubaceae	Eukaryota	Roots	n.a.	n.a.	PMID[14575431]
NPO9965	Eurycoma longifolia	Species	Simaroubaceae	Eukaryota	n.a.	root	n.a.	PMID[1800638]
NPO33469	Asteraceae	Family	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[18329753]
NPO9965	Eurycoma longifolia	Species	Simaroubaceae	Eukaryota	roots	n.a.	n.a.	PMID[19299148]
NPO9965	Eurycoma longifolia	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19299148]
NPO9965	Eurycoma longifolia	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[19919052]
NPO15440	Chamaemelum nobile	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[23501116]
NPO40842	Eugenia rigida	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[23547843]
NPO9965	Eurycoma longifolia	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24467387]
NPO15440	Chamaemelum nobile	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[24471493]
NPO9965	Eurycoma longifolia	Species	Simaroubaceae	Eukaryota	roots	n.a.	n.a.	PMID[25066952]
NPO9965	Eurycoma longifolia	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[25905468]
NPO40842	Eugenia rigida	Species	n.a.	n.a.	n.a.	n.a.	n.a.	PMID[27618204]
NPO15440	Chamaemelum nobile	Species	Asteraceae	Eukaryota	Flowers	n.a.	n.a.	PMID[28116906]
NPO691	Tarchonanthus camphoratus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29244495]
NPO2440	Schkuhria pinnata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[29244495]
NPO12352	Magnolia baillonii	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[3437284]
NPO15440	Chamaemelum nobile	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO418	Smilax aristolochiaefolia	Species	Staphylinidae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO2440	Schkuhria pinnata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO691	Tarchonanthus camphoratus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO40842	Eugenia rigida	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[COCONUT]
NPO33469	Asteraceae	Family	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO40799	Bovine platelets	Species	n.a.	n.a.	n.a.	n.a.	n.a.	Database[COCONUT]
NPO9965	Eurycoma longifolia	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO3800	Indigofera arrecta	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO4717	Laserpitium siler	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO12352	Magnolia baillonii	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO1909	Michelia lanuginosa	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[COCONUT]
NPO15440	Chamaemelum nobile	Species	Asteraceae	Eukaryota	Flower	n.a.	n.a.	Database[FooDB]
NPO15440	Chamaemelum nobile	Species	Asteraceae	Eukaryota	Plant	n.a.	n.a.	Database[FooDB]
NPO418	Smilax aristolochiaefolia	Species	Staphylinidae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO1909	Michelia lanuginosa	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO9965	Eurycoma longifolia	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO3800	Indigofera arrecta	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[HerDing]
NPO9965	Eurycoma longifolia	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO2440	Schkuhria pinnata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO15440	Chamaemelum nobile	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO418	Smilax aristolochiaefolia	Species	Staphylinidae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO3800	Indigofera arrecta	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1909	Michelia lanuginosa	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCMID]
NPO1909	Michelia lanuginosa	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO418	Smilax aristolochiaefolia	Species	Staphylinidae	Eukaryota	n.a.	n.a.	n.a.	Database[TCM_Taiwan]
NPO3800	Indigofera arrecta	Species	Fabaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO9965	Eurycoma longifolia	Species	Simaroubaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO15440	Chamaemelum nobile	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO691	Tarchonanthus camphoratus	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO1909	Michelia lanuginosa	Species	Magnoliaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO2440	Schkuhria pinnata	Species	Asteraceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO4717	Laserpitium siler	Species	Apiaceae	Eukaryota	n.a.	n.a.	n.a.	Database[UNPD]
NPO12352	Magnolia baillonii	Species	Magnoliaceae	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	Organism Name	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
IC100	1
IC50	456
Activity	40
Ki	4
Inhibition	18
Kinact	1
ED50	3
GI50	87
TGI	2
CFU	2
FC	2
EC50	11
mortality	1

Activity Type	# Activity
Individual protein	22
Cell line	521
Organism	17
Unchecked	1
Nucleic acid	2
Protein complex	1
Single protein	2
Non-molecular	47
Others	15

Molecular-level activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2716	Individual protein	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	Escherichia coli K-12	IC50	>	50000.0	nM	PMID[16945528]
NPT2717	Individual protein	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	IC50	=	27800.0	nM	PMID[16945528]
NPT1778	Individual protein	Serotonin 2a (5-HT2a) receptor	Rattus norvegicus	Ki	=	100000.0	nM	PMID[9214741]
NPT1778	Individual protein	Serotonin 2a (5-HT2a) receptor	Rattus norvegicus	Ki	=	250000.0	nM	PMID[9214741]
NPT31	Individual protein	Cyclooxygenase-2	Homo sapiens	IC50	=	800.0	nM	PMID[16038536]
NPT270	Individual protein	Nitric oxide synthase, inducible	Mus musculus	IC50	=	0.4	ug.mL-1	DOI[10.1007/s00044-011-9882-z]
NPT3090	Individual protein	Transcription factor Sp1	Homo sapiens	IC50	=	7.5	ug.mL-1	DOI[10.1007/s00044-011-9882-z]
NPT270	Individual protein	Nitric oxide synthase, inducible	Mus musculus	IC50	=	8000.0	nM	PMID[23547843]
NPT270	Individual protein	Nitric oxide synthase, inducible	Mus musculus	IC50	=	1050.0	nM	PMID[24471493]
NPT277	Individual protein	Caspase-1	Homo sapiens	Ki	=	10600.0	nM	PMID[25418070]
NPT277	Individual protein	Caspase-1	Homo sapiens	Kinact	=	4.0	/s	PMID[25418070]
NPT72	Individual protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	114.19	%	PMID[23571415]
NPT317	Nucleic acid	Nucleic Acid	n.a.	Activity	<	30.0	%	PMID[1812211]
NPT67	Individual protein	Cholinesterase	Equus caballus	Inhibition	=	14.03	%	PMID[23062825]
NPT73	Individual protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	140.74	%	PMID[23571415]
NPT983	Protein complex	Nuclear factor NF-kappa-B complex	Homo sapiens	IC50	=	3400.0	nM	DOI[10.1039/C2MD20199B]
NPT584	Individual protein	NACHT, LRR and PYD domains-containing protein 3	Homo sapiens	Inhibition	=	25.9	%	PMID[25418070]
NPT20556	Single protein	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-12.23	%	DOI[10.6019/CHEMBL4495564]
NPT20556	Single protein	Replicase polyprotein 1ab	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-0.5719	%	DOI[10.6019/CHEMBL4495564]
NPT692	Individual protein	Histone deacetylase 6	Homo sapiens	Inhibition	=	-4.02	%	HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators
NPT692	Individual protein	Histone deacetylase 6	Homo sapiens	Inhibition	=	2.98	%	HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators
NPT66	Individual protein	Acetylcholinesterase	Electrophorus electricus	Inhibition	=	-5.29	%	PMID[23062825]
NPT840	Individual protein	Transcriptional activator Myb	Gallus gallus	IC50	=	17418.07	nM	PMID[23501116]
NPT840	Individual protein	Transcriptional activator Myb	Gallus gallus	IC50	=	17410.0	nM	PMID[23501116]
NPT721	Individual protein	Nuclear factor NF-kappa-B p65 subunit	Homo sapiens	IC100	=	20.0	uM	PMID[16570920]
NPT1881	Nucleic acid	Calf thymus DNA	Bos taurus	Activity	=	30.0	%	PMID[1812211]
NPT38	Individual protein	Signal transducer and activator of transcription 3	Homo sapiens	Inhibition	=	73.7	%	PMID[30711391]

In vitro activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2182	Cell line	Mo	Homo sapiens	IC50	=	1021815.27	nM	DOI[10.6019/CHEMBL1201861]
NPT113	Cell line	RAW264.7	Mus musculus	IC50	=	1150.0	nM	PMID[17338565]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	5900.0	nM	PMID[18262418]
NPT492	Cell line	Caco-2	Homo sapiens	IC50	=	10400.0	nM	PMID[18262418]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	9400.0	nM	PMID[18262418]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	900.0	nM	PMID[18262418]
NPT466	Cell line	U-937	Homo sapiens	IC50	=	2200.0	nM	PMID[18262418]
NPT15	Cell line	Jurkat	Homo sapiens	IC50	=	1900.0	nM	PMID[18262418]
NPT71	Cell line	HEK293	Homo sapiens	IC50	=	6600.0	nM	PMID[19269818]
NPT91	Cell line	KB	Homo sapiens	ED50	=	5.3	umol/L	PMID[18329753]
NPT113	Cell line	RAW264.7	Mus musculus	IC50	=	2010.0	nM	PMID[14510600]
NPT659	Cell line	SMMC-7721	Homo sapiens	IC50	=	4.2	ug.mL-1	PMID[14695795]
NPT3089	Cell line	SW1353	Homo sapiens	IC50	=	4100.0	nM	PMID[19555121]
NPT461	Cell line	PANC-1	Homo sapiens	Activity	=	12.0	%	PMID[20888222]
NPT461	Cell line	PANC-1	Homo sapiens	Activity	=	132.0	%	PMID[20888222]
NPT783	Cell line	MIA PaCa-2	Homo sapiens	Activity	=	3.0	%	PMID[20888222]
NPT783	Cell line	MIA PaCa-2	Homo sapiens	Activity	=	78.0	%	PMID[20888222]
NPT1081	Cell line	BXPC-3	Homo sapiens	Activity	=	6.0	%	PMID[20888222]
NPT1081	Cell line	BXPC-3	Homo sapiens	Activity	=	92.0	%	PMID[20888222]
NPT116	Cell line	HL-60	Homo sapiens	GI50	=	520.0	nM	PMID[22029741]
NPT116	Cell line	HL-60	Homo sapiens	TGI	=	1360.0	nM	PMID[22029741]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	3700.0	nM	PMID[22985027]
NPT113	Cell line	RAW264.7	Mus musculus	IC50	=	13.0	ug.mL-1	DOI[10.1007/s00044-011-9882-z]
NPT1899	Cell line	DSH1	Homo sapiens	IC50	=	543256.73	nM	DOI[10.6019/CHEMBL1201861]
NPT464	Cell line	Daudi	Homo sapiens	IC50	=	528181.51	nM	DOI[10.6019/CHEMBL1201861]
NPT1900	Cell line	DU-4475	Homo sapiens	IC50	=	87361.88	nM	DOI[10.6019/CHEMBL1201861]
NPT394	Cell line	EKVX	Homo sapiens	IC50	=	106406.64	nM	DOI[10.6019/CHEMBL1201861]
NPT1901	Cell line	EM-2	Homo sapiens	IC50	=	47255.83	nM	DOI[10.6019/CHEMBL1201861]
NPT1902	Cell line	ES1	Homo sapiens	IC50	=	10154.79	nM	DOI[10.6019/CHEMBL1201861]
NPT1905	Cell line	ES4	Homo sapiens	IC50	=	414922.19	nM	DOI[10.6019/CHEMBL1201861]
NPT1903	Cell line	ES5	Homo sapiens	IC50	=	876357.4	nM	DOI[10.6019/CHEMBL1201861]
NPT1904	Cell line	ES3	Homo sapiens	IC50	=	913934.59	nM	DOI[10.6019/CHEMBL1201861]
NPT1906	Cell line	EB-3	Homo sapiens	IC50	=	229071.92	nM	DOI[10.6019/CHEMBL1201861]
NPT1907	Cell line	EB2	Homo sapiens	IC50	=	674838.9	nM	DOI[10.6019/CHEMBL1201861]
NPT1908	Cell line	EC-GI-10	Homo sapiens	IC50	=	447870.44	nM	DOI[10.6019/CHEMBL1201861]
NPT1909	Cell line	ECC12	Homo sapiens	IC50	=	158539.69	nM	DOI[10.6019/CHEMBL1201861]
NPT1910	Cell line	ECC4	Homo sapiens	IC50	=	691880.33	nM	DOI[10.6019/CHEMBL1201861]
NPT376	Cell line	A498	Homo sapiens	IC50	=	395313.06	nM	DOI[10.6019/CHEMBL1201861]
NPT1912	Cell line	COLO-800	Homo sapiens	IC50	=	563393.88	nM	DOI[10.6019/CHEMBL1201861]
NPT1189	Cell line	DG-75	Homo sapiens	IC50	=	1046816.57	nM	DOI[10.6019/CHEMBL1201861]
NPT1913	Cell line	DJM-1	Homo sapiens	IC50	=	100986.52	nM	DOI[10.6019/CHEMBL1201861]
NPT1911	Cell line	C2BBe1	Homo sapiens	IC50	=	25040.14	nM	DOI[10.6019/CHEMBL1201861]
NPT1914	Cell line	COLO-824	Homo sapiens	IC50	=	525194.67	nM	DOI[10.6019/CHEMBL1201861]
NPT576	Cell line	DMS-114	Homo sapiens	IC50	=	667402.96	nM	DOI[10.6019/CHEMBL1201861]
NPT1916	Cell line	ACN	Homo sapiens	IC50	=	90267.82	nM	DOI[10.6019/CHEMBL1201861]
NPT1452	Cell line	C8166	Homo sapiens	IC50	=	53070.01	nM	DOI[10.6019/CHEMBL1201861]
NPT1917	Cell line	CA46	Homo sapiens	IC50	=	399101.59	nM	DOI[10.6019/CHEMBL1201861]
NPT1915	Cell line	COLO-829	Homo sapiens	IC50	=	85232.77	nM	DOI[10.6019/CHEMBL1201861]
NPT1918	Cell line	DMS-79	Homo sapiens	IC50	=	627972.26	nM	DOI[10.6019/CHEMBL1201861]
NPT1919	Cell line	DOHH-2	Homo sapiens	IC50	=	328192.06	nM	DOI[10.6019/CHEMBL1201861]
NPT1920	Cell line	ALL-PO	Homo sapiens	IC50	=	19757.71	nM	DOI[10.6019/CHEMBL1201861]
NPT1921	Cell line	COR-L279	Homo sapiens	IC50	=	29120.14	nM	DOI[10.6019/CHEMBL1201861]
NPT1922	Cell line	COR-L88	Homo sapiens	IC50	=	626438.75	nM	DOI[10.6019/CHEMBL1201861]
NPT1923	Cell line	DMS-153	Homo sapiens	IC50	=	175934.37	nM	DOI[10.6019/CHEMBL1201861]
NPT1924	Cell line	AM-38	Homo sapiens	IC50	=	61160.65	nM	DOI[10.6019/CHEMBL1201861]
NPT1925	Cell line	CAL-148	Homo sapiens	IC50	=	946912.79	nM	DOI[10.6019/CHEMBL1201861]
NPT1926	Cell line	CP66-MEL	Homo sapiens	IC50	=	144520.59	nM	DOI[10.6019/CHEMBL1201861]
NPT1927	Cell line	ARH-77	Homo sapiens	IC50	=	37368.87	nM	DOI[10.6019/CHEMBL1201861]
NPT1928	Cell line	ATN-1	Homo sapiens	IC50	=	153939.55	nM	DOI[10.6019/CHEMBL1201861]
NPT1929	Cell line	CPC-N	Homo sapiens	IC50	=	38401.98	nM	DOI[10.6019/CHEMBL1201861]
NPT1930	Cell line	CTB-1	Homo sapiens	IC50	=	3852.93	nM	DOI[10.6019/CHEMBL1201861]
NPT1932	Cell line	CTV-1	Homo sapiens	IC50	=	74151.33	nM	DOI[10.6019/CHEMBL1201861]
NPT1933	Cell line	CW-2	Homo sapiens	IC50	=	1179126.28	nM	DOI[10.6019/CHEMBL1201861]
NPT1094	Cell line	697	Homo sapiens	IC50	=	464.58	nM	DOI[10.6019/CHEMBL1201861]
NPT1931	Cell line	BB30-HNC	Homo sapiens	IC50	=	39528.7	nM	DOI[10.6019/CHEMBL1201861]
NPT1934	Cell line	BB49-HNC	Homo sapiens	IC50	=	284334.68	nM	DOI[10.6019/CHEMBL1201861]
NPT1935	Cell line	BB65-RCC	Homo sapiens	IC50	=	16825.74	nM	DOI[10.6019/CHEMBL1201861]
NPT929	Cell line	BC1 cell line	n.a.	IC50	=	61471.4	nM	DOI[10.6019/CHEMBL1201861]
NPT1937	Cell line	CAS-1	Homo sapiens	IC50	=	38601.34	nM	DOI[10.6019/CHEMBL1201861]
NPT1939	Cell line	8-MG-BA	Homo sapiens	IC50	=	21426.6	nM	DOI[10.6019/CHEMBL1201861]
NPT1936	Cell line	BC-3	Homo sapiens	IC50	=	34350.38	nM	DOI[10.6019/CHEMBL1201861]
NPT1940	Cell line	BE-13	Homo sapiens	IC50	=	960874.69	nM	DOI[10.6019/CHEMBL1201861]
NPT404	Cell line	CCRF-CEM	Homo sapiens	IC50	=	256000.91	nM	DOI[10.6019/CHEMBL1201861]
NPT1938	Cell line	Calu-6	Homo sapiens	IC50	=	261104.58	nM	DOI[10.6019/CHEMBL1201861]
NPT1941	Cell line	A101D	Homo sapiens	IC50	=	14202.16	nM	DOI[10.6019/CHEMBL1201861]
NPT1942	Cell line	CESS	Homo sapiens	IC50	=	45815.39	nM	DOI[10.6019/CHEMBL1201861]
NPT1943	Cell line	CGTH-W-1	Homo sapiens	IC50	=	423694.64	nM	DOI[10.6019/CHEMBL1201861]
NPT1944	Cell line	D-247MG	Homo sapiens	IC50	=	20800.81	nM	DOI[10.6019/CHEMBL1201861]
NPT1945	Cell line	CHP-126	Homo sapiens	IC50	=	194356.87	nM	DOI[10.6019/CHEMBL1201861]
NPT1946	Cell line	D-263MG	Homo sapiens	IC50	=	447865.96	nM	DOI[10.6019/CHEMBL1201861]
NPT1947	Cell line	D283 Med	n.a.	IC50	=	26215.61	nM	DOI[10.6019/CHEMBL1201861]
NPT1948	Cell line	A253 cell line	n.a.	IC50	=	455106.29	nM	DOI[10.6019/CHEMBL1201861]
NPT1949	Cell line	BL-41	Homo sapiens	IC50	=	21572.0	nM	DOI[10.6019/CHEMBL1201861]
NPT1950	Cell line	BL-70	Homo sapiens	IC50	=	337685.84	nM	DOI[10.6019/CHEMBL1201861]
NPT1951	Cell line	CMK	Homo sapiens	IC50	=	20353.03	nM	DOI[10.6019/CHEMBL1201861]
NPT1953	Cell line	D-336MG	Homo sapiens	IC50	=	52793.02	nM	DOI[10.6019/CHEMBL1201861]
NPT1954	Cell line	D-392MG	Homo sapiens	IC50	=	48444.75	nM	DOI[10.6019/CHEMBL1201861]
NPT1955	Cell line	A3-KAW	Homo sapiens	IC50	=	2288.09	nM	DOI[10.6019/CHEMBL1201861]
NPT1952	Cell line	COLO-320-HSR	Homo sapiens	IC50	=	27502.31	nM	DOI[10.6019/CHEMBL1201861]
NPT1956	Cell line	COLO-668	Homo sapiens	IC50	=	692503.99	nM	DOI[10.6019/CHEMBL1201861]
NPT1957	Cell line	D-502MG	Homo sapiens	IC50	=	52599.2	nM	DOI[10.6019/CHEMBL1201861]
NPT1958	Cell line	A388	Homo sapiens	IC50	=	42343.04	nM	DOI[10.6019/CHEMBL1201861]
NPT1959	Cell line	A4-Fuk	Homo sapiens	IC50	=	241504.47	nM	DOI[10.6019/CHEMBL1201861]
NPT845	Cell line	BT-474	Homo sapiens	IC50	=	960441.43	nM	DOI[10.6019/CHEMBL1201861]
NPT1960	Cell line	BV-173	Homo sapiens	IC50	=	28130.63	nM	DOI[10.6019/CHEMBL1201861]
NPT1961	Cell line	D-542MG	Homo sapiens	IC50	=	52212.71	nM	DOI[10.6019/CHEMBL1201861]
NPT1962	Cell line	DB	Homo sapiens	IC50	=	1267652.44	nM	DOI[10.6019/CHEMBL1201861]
NPT1963	Cell line	Becker	Homo sapiens	IC50	=	122818.17	nM	DOI[10.6019/CHEMBL1201861]
NPT1964	Cell line	COLO-684	Homo sapiens	IC50	=	639697.88	nM	DOI[10.6019/CHEMBL1201861]
NPT1965	Cell line	DEL	Homo sapiens	IC50	=	6378.78	nM	DOI[10.6019/CHEMBL1201861]
NPT1966	Cell line	NCI-H1838	Homo sapiens	IC50	=	651039.29	nM	DOI[10.6019/CHEMBL1201861]
NPT1967	Cell line	NCI-H526	Homo sapiens	IC50	=	89651.6	nM	DOI[10.6019/CHEMBL1201861]
NPT1968	Cell line	OMC-1	Homo sapiens	IC50	=	476127.18	nM	DOI[10.6019/CHEMBL1201861]
NPT389	Cell line	RPMI-8226	Homo sapiens	IC50	=	6970.37	nM	DOI[10.6019/CHEMBL1201861]
NPT926	Cell line	SK-MEL-1	Homo sapiens	IC50	=	590314.24	nM	DOI[10.6019/CHEMBL1201861]
NPT1969	Cell line	TGW	Homo sapiens	IC50	=	155780.35	nM	DOI[10.6019/CHEMBL1201861]
NPT1970	Cell line	THP-1	Homo sapiens	IC50	=	1036662.81	nM	DOI[10.6019/CHEMBL1201861]
NPT1971	Cell line	GI-1	Homo sapiens	IC50	=	73591.17	nM	DOI[10.6019/CHEMBL1201861]
NPT1972	Cell line	GI-ME-N	Homo sapiens	IC50	=	23191.64	nM	DOI[10.6019/CHEMBL1201861]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	65325.86	nM	DOI[10.6019/CHEMBL1201861]
NPT1973	Cell line	IST-SL1	Homo sapiens	IC50	=	164270.75	nM	DOI[10.6019/CHEMBL1201861]
NPT1974	Cell line	IST-SL2	Homo sapiens	IC50	=	127600.08	nM	DOI[10.6019/CHEMBL1201861]
NPT1975	Cell line	KS-1	Homo sapiens	IC50	=	5511.3	nM	DOI[10.6019/CHEMBL1201861]
NPT1976	Cell line	LNCaP-Clone-FGC	Homo sapiens	IC50	=	968027.02	nM	DOI[10.6019/CHEMBL1201861]
NPT1977	Cell line	LOUCY	Homo sapiens	IC50	=	34006.82	nM	DOI[10.6019/CHEMBL1201861]
NPT2209	Cell line	MFH-ino	Homo sapiens	IC50	=	63053.84	nM	DOI[10.6019/CHEMBL1201861]
NPT1978	Cell line	MFM-223	Homo sapiens	IC50	=	1389838.73	nM	DOI[10.6019/CHEMBL1201861]
NPT1979	Cell line	NB13	Homo sapiens	IC50	=	95764.49	nM	DOI[10.6019/CHEMBL1201861]
NPT1980	Cell line	NB14	Homo sapiens	IC50	=	122845.57	nM	DOI[10.6019/CHEMBL1201861]
NPT639	Cell line	NCI-H187	Homo sapiens	IC50	=	271866.19	nM	DOI[10.6019/CHEMBL1201861]
NPT1981	Cell line	NCI-H1882	Homo sapiens	IC50	=	344958.8	nM	DOI[10.6019/CHEMBL1201861]
NPT1982	Cell line	NCI-H1963	Homo sapiens	IC50	=	36073.81	nM	DOI[10.6019/CHEMBL1201861]
NPT1983	Cell line	NCI-H64	Homo sapiens	IC50	=	165387.47	nM	DOI[10.6019/CHEMBL1201861]
NPT1984	Cell line	ONS-76	Homo sapiens	IC50	=	194681.33	nM	DOI[10.6019/CHEMBL1201861]
NPT1986	Cell line	RPMI 8402	Homo sapiens	IC50	=	499719.53	nM	DOI[10.6019/CHEMBL1201861]
NPT1987	Cell line	RPMI-8866	Homo sapiens	IC50	=	543620.83	nM	DOI[10.6019/CHEMBL1201861]
NPT147	Cell line	SK-MEL-2	Homo sapiens	IC50	=	869911.08	nM	DOI[10.6019/CHEMBL1201861]
NPT1988	Cell line	SW684	Homo sapiens	IC50	=	200572.75	nM	DOI[10.6019/CHEMBL1201861]
NPT384	Cell line	TK-10	Homo sapiens	IC50	=	104447.65	nM	DOI[10.6019/CHEMBL1201861]
NPT1989	Cell line	GOTO	Homo sapiens	IC50	=	214599.39	nM	DOI[10.6019/CHEMBL1201861]
NPT1990	Cell line	J-RT3-T3-5	Homo sapiens	IC50	=	23847.9	nM	DOI[10.6019/CHEMBL1201861]
NPT1991	Cell line	KU812 cell line	n.a.	IC50	=	93359.44	nM	DOI[10.6019/CHEMBL1201861]
NPT1992	Cell line	KURAMOCHI	Homo sapiens	IC50	=	129500.27	nM	DOI[10.6019/CHEMBL1201861]
NPT390	Cell line	LOX IMVI	Homo sapiens	IC50	=	567518.87	nM	DOI[10.6019/CHEMBL1201861]
NPT1993	Cell line	LP-1	Homo sapiens	IC50	=	82375.58	nM	DOI[10.6019/CHEMBL1201861]
NPT1994	Cell line	MHH-CALL-2	Homo sapiens	IC50	=	506019.9	nM	DOI[10.6019/CHEMBL1201861]
NPT1995	Cell line	NB17	Homo sapiens	IC50	=	1715.94	nM	DOI[10.6019/CHEMBL1201861]
NPT1996	Cell line	NB5	Homo sapiens	IC50	=	277908.24	nM	DOI[10.6019/CHEMBL1201861]
NPT1396	Cell line	NCI-H69	Homo sapiens	IC50	=	676025.64	nM	DOI[10.6019/CHEMBL1201861]
NPT1985	Cell line	OPM-2	Homo sapiens	IC50	=	64420.96	nM	DOI[10.6019/CHEMBL1201861]
NPT1997	Cell line	OS-RC-2	Homo sapiens	IC50	=	5420.1	nM	DOI[10.6019/CHEMBL1201861]
NPT1998	Cell line	RS4-11	Homo sapiens	IC50	=	145758.62	nM	DOI[10.6019/CHEMBL1201861]
NPT1999	Cell line	TUR	Homo sapiens	IC50	=	821866.52	nM	DOI[10.6019/CHEMBL1201861]
NPT2000	Cell line	GR-ST	Homo sapiens	IC50	=	89559.21	nM	DOI[10.6019/CHEMBL1201861]
NPT379	Cell line	HOP-62	Homo sapiens	IC50	=	37162.57	nM	DOI[10.6019/CHEMBL1201861]
NPT2001	Cell line	JAR	Homo sapiens	IC50	=	998765.48	nM	DOI[10.6019/CHEMBL1201861]
NPT2002	Cell line	KY821	Homo sapiens	IC50	=	78811.03	nM	DOI[10.6019/CHEMBL1201861]
NPT2003	Cell line	LS-1034	Homo sapiens	IC50	=	314170.87	nM	DOI[10.6019/CHEMBL1201861]
NPT2004	Cell line	LS-123	Homo sapiens	IC50	=	278841.91	nM	DOI[10.6019/CHEMBL1201861]
NPT2005	Cell line	MHH-NB-11	Homo sapiens	IC50	=	38736.84	nM	DOI[10.6019/CHEMBL1201861]
NPT2006	Cell line	MHH-PREB-1	Homo sapiens	IC50	=	14434.02	nM	DOI[10.6019/CHEMBL1201861]
NPT2007	Cell line	NB6	Homo sapiens	IC50	=	371892.19	nM	DOI[10.6019/CHEMBL1201861]
NPT2008	Cell line	NB69	Homo sapiens	IC50	=	741412.39	nM	DOI[10.6019/CHEMBL1201861]
NPT2009	Cell line	NCI-H2081	Homo sapiens	IC50	=	442147.26	nM	DOI[10.6019/CHEMBL1201861]
NPT2010	Cell line	NCI-H716	Homo sapiens	IC50	=	507039.04	nM	DOI[10.6019/CHEMBL1201861]
NPT2011	Cell line	NCI-H719	Homo sapiens	IC50	=	714474.28	nM	DOI[10.6019/CHEMBL1201861]
NPT2012	Cell line	NCI-H720	Homo sapiens	IC50	=	11081.39	nM	DOI[10.6019/CHEMBL1201861]
NPT456	Cell line	OVCAR-4	Homo sapiens	IC50	=	6188.35	nM	DOI[10.6019/CHEMBL1201861]
NPT406	Cell line	RXF 393	Homo sapiens	IC50	=	176796.26	nM	DOI[10.6019/CHEMBL1201861]
NPT2013	Cell line	SK-MM-2	Homo sapiens	IC50	=	49421.67	nM	DOI[10.6019/CHEMBL1201861]
NPT2014	Cell line	SW872	Homo sapiens	IC50	=	28114.04	nM	DOI[10.6019/CHEMBL1201861]
NPT2015	Cell line	U-266	Homo sapiens	IC50	=	415594.07	nM	DOI[10.6019/CHEMBL1201861]
NPT2016	Cell line	ES6	Homo sapiens	IC50	=	282994.94	nM	DOI[10.6019/CHEMBL1201861]
NPT2017	Cell line	ES7	Homo sapiens	IC50	=	429904.46	nM	DOI[10.6019/CHEMBL1201861]
NPT2018	Cell line	GT3TKB	Homo sapiens	IC50	=	414641.79	nM	DOI[10.6019/CHEMBL1201861]
NPT2019	Cell line	JVM-2	Homo sapiens	IC50	=	657463.34	nM	DOI[10.6019/CHEMBL1201861]
NPT2020	Cell line	JVM-3	Homo sapiens	IC50	=	338598.83	nM	DOI[10.6019/CHEMBL1201861]
NPT2021	Cell line	LS-411N	Homo sapiens	IC50	=	72933.57	nM	DOI[10.6019/CHEMBL1201861]
NPT2022	Cell line	LS-513	Homo sapiens	IC50	=	31028.34	nM	DOI[10.6019/CHEMBL1201861]
NPT2023	Cell line	NB7	Homo sapiens	IC50	=	106809.41	nM	DOI[10.6019/CHEMBL1201861]
NPT2024	Cell line	NCI-H209	Homo sapiens	IC50	=	1004476.71	nM	DOI[10.6019/CHEMBL1201861]
NPT2025	Cell line	NCI-H747	Homo sapiens	IC50	=	42926.23	nM	DOI[10.6019/CHEMBL1201861]
NPT80	Cell line	Raji	Homo sapiens	IC50	=	26686.08	nM	DOI[10.6019/CHEMBL1201861]
NPT2026	Cell line	Ramos-2G6-4C10	Homo sapiens	IC50	=	369825.77	nM	DOI[10.6019/CHEMBL1201861]
NPT2027	Cell line	SK-N-DZ	Homo sapiens	IC50	=	4651.78	nM	DOI[10.6019/CHEMBL1201861]
NPT2029	Cell line	SW 954	Homo sapiens	IC50	=	68830.71	nM	DOI[10.6019/CHEMBL1201861]
NPT2030	Cell line	U-698-M	Homo sapiens	IC50	=	3879490.07	nM	DOI[10.6019/CHEMBL1201861]
NPT1535	Cell line	U-87 MG	Homo sapiens	IC50	=	25844.38	nM	DOI[10.6019/CHEMBL1201861]
NPT2031	Cell line	ES8	Homo sapiens	IC50	=	43935.25	nM	DOI[10.6019/CHEMBL1201861]
NPT2032	Cell line	HAL-01	Homo sapiens	IC50	=	12638.42	nM	DOI[10.6019/CHEMBL1201861]
NPT2033	Cell line	JIYOYE	Homo sapiens	IC50	=	8519.55	nM	DOI[10.6019/CHEMBL1201861]
NPT111	Cell line	K562	Homo sapiens	IC50	=	53817.79	nM	DOI[10.6019/CHEMBL1201861]
NPT2034	Cell line	LU-134-A	Homo sapiens	IC50	=	161122.67	nM	DOI[10.6019/CHEMBL1201861]
NPT2035	Cell line	NCCIT	Homo sapiens	IC50	=	600541.65	nM	DOI[10.6019/CHEMBL1201861]
NPT2036	Cell line	NCI-H1092	Homo sapiens	IC50	=	35786.97	nM	DOI[10.6019/CHEMBL1201861]
NPT1082	Cell line	NCI-H2126	Homo sapiens	IC50	=	212897.96	nM	DOI[10.6019/CHEMBL1201861]
NPT2038	Cell line	NCI-H748	Homo sapiens	IC50	=	20295.29	nM	DOI[10.6019/CHEMBL1201861]
NPT2040	Cell line	P30-OHK	Homo sapiens	IC50	=	123805.16	nM	DOI[10.6019/CHEMBL1201861]
NPT2041	Cell line	P31-FUJ	Homo sapiens	IC50	=	1561278.01	nM	DOI[10.6019/CHEMBL1201861]
NPT2028	Cell line	SK-N-FI	Homo sapiens	IC50	=	309121.68	nM	DOI[10.6019/CHEMBL1201861]
NPT2043	Cell line	SK-NEP-1	Homo sapiens	IC50	=	16980.17	nM	DOI[10.6019/CHEMBL1201861]
NPT2044	Cell line	SW 962	Homo sapiens	IC50	=	31759.88	nM	DOI[10.6019/CHEMBL1201861]
NPT2045	Cell line	ETK-1	Homo sapiens	IC50	=	241265.26	nM	DOI[10.6019/CHEMBL1201861]
NPT2046	Cell line	EVSA-T	Homo sapiens	IC50	=	51973.97	nM	DOI[10.6019/CHEMBL1201861]
NPT2047	Cell line	HC-1	Homo sapiens	IC50	=	180625.89	nM	DOI[10.6019/CHEMBL1201861]
NPT2048	Cell line	HCC1187	Homo sapiens	IC50	=	20118.56	nM	DOI[10.6019/CHEMBL1201861]
NPT2049	Cell line	HT	Homo sapiens	IC50	=	799710.67	nM	DOI[10.6019/CHEMBL1201861]
NPT2050	Cell line	K052	Homo sapiens	IC50	=	150148.53	nM	DOI[10.6019/CHEMBL1201861]
NPT2051	Cell line	K5	Homo sapiens	IC50	=	57672.88	nM	DOI[10.6019/CHEMBL1201861]
NPT2052	Cell line	KALS-1	Homo sapiens	IC50	=	59367.74	nM	DOI[10.6019/CHEMBL1201861]
NPT2053	Cell line	LU-139	Homo sapiens	IC50	=	65205.12	nM	DOI[10.6019/CHEMBL1201861]
NPT2054	Cell line	LU-165	Homo sapiens	IC50	=	879683.34	nM	DOI[10.6019/CHEMBL1201861]
NPT2055	Cell line	ML-2	Homo sapiens	IC50	=	28448.09	nM	DOI[10.6019/CHEMBL1201861]
NPT2056	Cell line	MLMA	Homo sapiens	IC50	=	18027.46	nM	DOI[10.6019/CHEMBL1201861]
NPT2057	Cell line	NCI-H1155	Homo sapiens	IC50	=	22947.29	nM	DOI[10.6019/CHEMBL1201861]
NPT2058	Cell line	NCI-H128	Homo sapiens	IC50	=	16357.84	nM	DOI[10.6019/CHEMBL1201861]
NPT2410	Cell line	NCI-H1299	Homo sapiens	IC50	=	359840.18	nM	DOI[10.6019/CHEMBL1201861]
NPT2059	Cell line	NCI-H2141	Homo sapiens	IC50	=	392410.31	nM	DOI[10.6019/CHEMBL1201861]
NPT2039	Cell line	NCI-H82	Homo sapiens	IC50	=	754486.21	nM	DOI[10.6019/CHEMBL1201861]
NPT2061	Cell line	NCI-H889	Homo sapiens	IC50	=	683886.52	nM	DOI[10.6019/CHEMBL1201861]
NPT2042	Cell line	SBC-1	Homo sapiens	IC50	=	113080.39	nM	DOI[10.6019/CHEMBL1201861]
NPT2063	Cell line	SK-PN-DW	Homo sapiens	IC50	=	65936.42	nM	DOI[10.6019/CHEMBL1201861]
NPT403	Cell line	UACC-257	Homo sapiens	IC50	=	5711.2	nM	DOI[10.6019/CHEMBL1201861]
NPT2064	Cell line	UACC-812	Homo sapiens	IC50	=	1240234.81	nM	DOI[10.6019/CHEMBL1201861]
NPT2065	Cell line	EW-1	Homo sapiens	IC50	=	316526.19	nM	DOI[10.6019/CHEMBL1201861]
NPT2066	Cell line	EW-11	Homo sapiens	IC50	=	387117.01	nM	DOI[10.6019/CHEMBL1201861]
NPT2067	Cell line	KARPAS-299	Homo sapiens	IC50	=	904190.44	nM	DOI[10.6019/CHEMBL1201861]
NPT2068	Cell line	L-363	Homo sapiens	IC50	=	366917.49	nM	DOI[10.6019/CHEMBL1201861]
NPT2069	Cell line	Lu-65	Homo sapiens	IC50	=	508496.33	nM	DOI[10.6019/CHEMBL1201861]
NPT2071	Cell line	MMAC-SF	Homo sapiens	IC50	=	94508.62	nM	DOI[10.6019/CHEMBL1201861]
NPT2073	Cell line	NCI-H1304	Homo sapiens	IC50	=	23168.32	nM	DOI[10.6019/CHEMBL1201861]
NPT2060	Cell line	NCI-H2171	Homo sapiens	IC50	=	12632.0	nM	DOI[10.6019/CHEMBL1201861]
NPT2075	Cell line	NCI-H2196	Homo sapiens	IC50	=	645.37	nM	DOI[10.6019/CHEMBL1201861]
NPT2076	Cell line	NCI-H2227	Homo sapiens	IC50	=	571854.16	nM	DOI[10.6019/CHEMBL1201861]
NPT465	Cell line	NCI-N87	Homo sapiens	IC50	=	431229.31	nM	DOI[10.6019/CHEMBL1201861]
NPT788	Cell line	SNU1	Homo sapiens	IC50	=	44191.39	nM	DOI[10.6019/CHEMBL1201861]
NPT2077	Cell line	SCC-3	Homo sapiens	IC50	=	2799.69	nM	DOI[10.6019/CHEMBL1201861]
NPT2078	Cell line	SK-UT-1	Homo sapiens	IC50	=	48589.38	nM	DOI[10.6019/CHEMBL1201861]
NPT2079	Cell line	EW-12	Homo sapiens	IC50	=	155714.94	nM	DOI[10.6019/CHEMBL1201861]
NPT2080	Cell line	EW-13	Homo sapiens	IC50	=	689937.49	nM	DOI[10.6019/CHEMBL1201861]
NPT2081	Cell line	HCC1599	Homo sapiens	IC50	=	85807.29	nM	DOI[10.6019/CHEMBL1201861]
NPT2082	Cell line	HT-144	Homo sapiens	IC50	=	367446.97	nM	DOI[10.6019/CHEMBL1201861]
NPT2083	Cell line	KARPAS-422	Homo sapiens	IC50	=	216566.36	nM	DOI[10.6019/CHEMBL1201861]
NPT2084	Cell line	KARPAS-45	Homo sapiens	IC50	=	118411.76	nM	DOI[10.6019/CHEMBL1201861]
NPT2085	Cell line	Kasumi 1	n.a.	IC50	=	573596.97	nM	DOI[10.6019/CHEMBL1201861]
NPT2086	Cell line	L-428	Homo sapiens	IC50	=	567593.22	nM	DOI[10.6019/CHEMBL1201861]
NPT2087	Cell line	L-540	Homo sapiens	IC50	=	15453.46	nM	DOI[10.6019/CHEMBL1201861]
NPT2070	Cell line	LXF-289 cell line	n.a.	IC50	=	58861.25	nM	DOI[10.6019/CHEMBL1201861]
NPT2072	Cell line	MN-60	Homo sapiens	IC50	=	384595.45	nM	DOI[10.6019/CHEMBL1201861]
NPT2088	Cell line	MOLT-16	Homo sapiens	IC50	=	30920.92	nM	DOI[10.6019/CHEMBL1201861]
NPT2074	Cell line	NCI-H1355	Homo sapiens	IC50	=	7643.14	nM	DOI[10.6019/CHEMBL1201861]
NPT2089	Cell line	NCI-H1395	Homo sapiens	IC50	=	391511.54	nM	DOI[10.6019/CHEMBL1201861]
NPT405	Cell line	NCI-H226	Homo sapiens	IC50	=	264413.72	nM	DOI[10.6019/CHEMBL1201861]
NPT2090	Cell line	SNU-16	Homo sapiens	IC50	=	97262.74	nM	DOI[10.6019/CHEMBL1201861]
NPT2091	Cell line	SNU-5	Homo sapiens	IC50	=	158226.89	nM	DOI[10.6019/CHEMBL1201861]
NPT2092	Cell line	NEC8	Homo sapiens	IC50	=	176296.63	nM	DOI[10.6019/CHEMBL1201861]
NPT2093	Cell line	PF-382	Homo sapiens	IC50	=	26510.79	nM	DOI[10.6019/CHEMBL1201861]
NPT2094	Cell line	SKM-1	Homo sapiens	IC50	=	1037021.56	nM	DOI[10.6019/CHEMBL1201861]
NPT392	Cell line	SNB-75	Homo sapiens	IC50	=	222573.86	nM	DOI[10.6019/CHEMBL1201861]
NPT2096	Cell line	VA-ES-BJ	Homo sapiens	IC50	=	60021.63	nM	DOI[10.6019/CHEMBL1201861]
NPT2097	Cell line	EW-16	Homo sapiens	IC50	=	397030.06	nM	DOI[10.6019/CHEMBL1201861]
NPT2098	Cell line	EW-18	Homo sapiens	IC50	=	81887.63	nM	DOI[10.6019/CHEMBL1201861]
NPT2099	Cell line	KE-37	Homo sapiens	IC50	=	247888.98	nM	DOI[10.6019/CHEMBL1201861]
NPT2100	Cell line	KG-1	n.a.	IC50	=	264984.68	nM	DOI[10.6019/CHEMBL1201861]
NPT1358	Cell line	LAMA-84	Homo sapiens	IC50	=	265475.35	nM	DOI[10.6019/CHEMBL1201861]
NPT2101	Cell line	LAN-6	Homo sapiens	IC50	=	790779.37	nM	DOI[10.6019/CHEMBL1201861]
NPT2102	Cell line	MC-CAR	Homo sapiens	IC50	=	664324.01	nM	DOI[10.6019/CHEMBL1201861]
NPT112	Cell line	MOLT-4	Homo sapiens	IC50	=	18364.33	nM	DOI[10.6019/CHEMBL1201861]
NPT2103	Cell line	MONO-MAC-6	Homo sapiens	IC50	=	408280.32	nM	DOI[10.6019/CHEMBL1201861]
NPT2104	Cell line	NCI-H1417	Homo sapiens	IC50	=	428530.54	nM	DOI[10.6019/CHEMBL1201861]
NPT2105	Cell line	NCI-H1436	Homo sapiens	IC50	=	335611.42	nM	DOI[10.6019/CHEMBL1201861]
NPT370	Cell line	NCI-H23	Homo sapiens	IC50	=	1121449.14	nM	DOI[10.6019/CHEMBL1201861]
NPT2106	Cell line	NH-12	Homo sapiens	IC50	=	183094.42	nM	DOI[10.6019/CHEMBL1201861]
NPT2107	Cell line	PSN1	Homo sapiens	IC50	=	31033.43	nM	DOI[10.6019/CHEMBL1201861]
NPT2109	Cell line	SCH	Homo sapiens	IC50	=	556851.17	nM	DOI[10.6019/CHEMBL1201861]
NPT2110	Cell line	SCLC-21H	Homo sapiens	IC50	=	501620.07	nM	DOI[10.6019/CHEMBL1201861]
NPT2095	Cell line	TALL-1	Homo sapiens	IC50	=	91529.29	nM	DOI[10.6019/CHEMBL1201861]
NPT3092	Cell line	TC-YIK	Homo sapiens	IC50	=	386206.81	nM	DOI[10.6019/CHEMBL1201861]
NPT2112	Cell line	TE-1	Homo sapiens	IC50	=	28845.18	nM	DOI[10.6019/CHEMBL1201861]
NPT2437	Cell line	EW-22	Homo sapiens	IC50	=	220235.63	nM	DOI[10.6019/CHEMBL1201861]
NPT2113	Cell line	EW-24	Homo sapiens	IC50	=	518843.87	nM	DOI[10.6019/CHEMBL1201861]
NPT2115	Cell line	HCC2157	Homo sapiens	IC50	=	128483.95	nM	DOI[10.6019/CHEMBL1201861]
NPT2116	Cell line	HCC2218	Homo sapiens	IC50	=	680692.05	nM	DOI[10.6019/CHEMBL1201861]
NPT2117	Cell line	HuTu80	Homo sapiens	IC50	=	13002.44	nM	DOI[10.6019/CHEMBL1201861]
NPT2118	Cell line	KGN	Homo sapiens	IC50	=	8410.13	nM	DOI[10.6019/CHEMBL1201861]
NPT2119	Cell line	KINGS-1	Homo sapiens	IC50	=	231641.06	nM	DOI[10.6019/CHEMBL1201861]
NPT2120	Cell line	LB1047-RCC	Homo sapiens	IC50	=	349970.2	nM	DOI[10.6019/CHEMBL1201861]
NPT2121	Cell line	LB2241-RCC	Homo sapiens	IC50	=	126993.89	nM	DOI[10.6019/CHEMBL1201861]
NPT2122	Cell line	MC116	Homo sapiens	IC50	=	756597.95	nM	DOI[10.6019/CHEMBL1201861]
NPT2123	Cell line	MPP-89	Homo sapiens	IC50	=	29681.44	nM	DOI[10.6019/CHEMBL1201861]
NPT2124	Cell line	MRK-nu-1	Homo sapiens	IC50	=	2011.02	nM	DOI[10.6019/CHEMBL1201861]
NPT2125	Cell line	NCI-H1522	Homo sapiens	IC50	=	597759.8	nM	DOI[10.6019/CHEMBL1201861]
NPT2126	Cell line	NKM-1	Homo sapiens	IC50	=	36337.16	nM	DOI[10.6019/CHEMBL1201861]
NPT2127	Cell line	NMC-G1	Homo sapiens	IC50	=	352028.1	nM	DOI[10.6019/CHEMBL1201861]
NPT2108	Cell line	QIMR-WIL	Homo sapiens	IC50	=	18260.7	nM	DOI[10.6019/CHEMBL1201861]
NPT2128	Cell line	RCC10RGB	Homo sapiens	IC50	=	78187.05	nM	DOI[10.6019/CHEMBL1201861]
NPT2111	Cell line	SF-126	Homo sapiens	IC50	=	18648.62	nM	DOI[10.6019/CHEMBL1201861]
NPT395	Cell line	SF-268	Homo sapiens	IC50	=	12664.96	nM	DOI[10.6019/CHEMBL1201861]
NPT2129	Cell line	SNU-C1	Homo sapiens	IC50	=	662758.72	nM	DOI[10.6019/CHEMBL1201861]
NPT2130	Cell line	TE-10	Homo sapiens	IC50	=	83236.92	nM	DOI[10.6019/CHEMBL1201861]
NPT2131	Cell line	WSU-NHL	Homo sapiens	IC50	=	80592.53	nM	DOI[10.6019/CHEMBL1201861]
NPT2114	Cell line	EW-3	Homo sapiens	IC50	=	84618.59	nM	DOI[10.6019/CHEMBL1201861]
NPT2132	Cell line	EOL1	Homo sapiens	IC50	=	164321.03	nM	DOI[10.6019/CHEMBL1201861]
NPT391	Cell line	HCC 2998	Homo sapiens	IC50	=	125637.28	nM	DOI[10.6019/CHEMBL1201861]
NPT2134	Cell line	LB2518-MEL	Homo sapiens	IC50	=	77058.51	nM	DOI[10.6019/CHEMBL1201861]
NPT2135	Cell line	LB373-MEL-D	Homo sapiens	IC50	=	297757.38	nM	DOI[10.6019/CHEMBL1201861]
NPT2136	Cell line	MDA-MB-134-VI	Homo sapiens	IC50	=	1029736.27	nM	DOI[10.6019/CHEMBL1201861]
NPT2137	Cell line	MS-1	Homo sapiens	IC50	=	612428.99	nM	DOI[10.6019/CHEMBL1201861]
NPT2138	Cell line	MSTO-211H	Homo sapiens	IC50	=	784069.76	nM	DOI[10.6019/CHEMBL1201861]
NPT2139	Cell line	NCI-H1581	Homo sapiens	IC50	=	757886.02	nM	DOI[10.6019/CHEMBL1201861]
NPT3093	Cell line	NCI-H250	Homo sapiens	IC50	=	132483.22	nM	DOI[10.6019/CHEMBL1201861]
NPT2140	Cell line	NOMO-1	Homo sapiens	IC50	=	1083119.95	nM	DOI[10.6019/CHEMBL1201861]
NPT2141	Cell line	NOS-1	Homo sapiens	IC50	=	313036.88	nM	DOI[10.6019/CHEMBL1201861]
NPT374	Cell line	SF-539	Homo sapiens	IC50	=	2473.02	nM	DOI[10.6019/CHEMBL1201861]
NPT385	Cell line	SR	Homo sapiens	IC50	=	20515.26	nM	DOI[10.6019/CHEMBL1201861]
NPT2144	Cell line	TE-12	Homo sapiens	IC50	=	32030.16	nM	DOI[10.6019/CHEMBL1201861]
NPT2146	Cell line	YT	Homo sapiens	IC50	=	575923.59	nM	DOI[10.6019/CHEMBL1201861]
NPT2133	Cell line	KM-H2	Homo sapiens	IC50	=	131941.15	nM	DOI[10.6019/CHEMBL1201861]
NPT386	Cell line	KM12	Homo sapiens	IC50	=	40986.51	nM	DOI[10.6019/CHEMBL1201861]
NPT2147	Cell line	LB647-SCLC	Homo sapiens	IC50	=	119730.81	nM	DOI[10.6019/CHEMBL1201861]
NPT2148	Cell line	LB771-HNC	Homo sapiens	IC50	=	483095.81	nM	DOI[10.6019/CHEMBL1201861]
NPT1649	Cell line	MV4-11	Homo sapiens	IC50	=	31790.52	nM	DOI[10.6019/CHEMBL1201861]
NPT2149	Cell line	MZ1-PC	Homo sapiens	IC50	=	319133.98	nM	DOI[10.6019/CHEMBL1201861]
NPT2150	Cell line	NCI-H1648	Homo sapiens	IC50	=	252688.12	nM	DOI[10.6019/CHEMBL1201861]
NPT388	Cell line	NCI-H322M	Homo sapiens	IC50	=	145601.58	nM	DOI[10.6019/CHEMBL1201861]
NPT2151	Cell line	NCI-H345	Homo sapiens	IC50	=	46371.27	nM	DOI[10.6019/CHEMBL1201861]
NPT2152	Cell line	NTERA-2-cl-D1	Homo sapiens	IC50	=	76533.15	nM	DOI[10.6019/CHEMBL1201861]
NPT2142	Cell line	REH	Homo sapiens	IC50	=	181816.33	nM	DOI[10.6019/CHEMBL1201861]
NPT2153	Cell line	RH-1	Homo sapiens	IC50	=	966386.64	nM	DOI[10.6019/CHEMBL1201861]
NPT2154	Cell line	SH-4	Homo sapiens	IC50	=	15265.72	nM	DOI[10.6019/CHEMBL1201861]
NPT2155	Cell line	SHP77	Homo sapiens	IC50	=	525566.64	nM	DOI[10.6019/CHEMBL1201861]
NPT2143	Cell line	ST486	Homo sapiens	IC50	=	15829.83	nM	DOI[10.6019/CHEMBL1201861]
NPT2156	Cell line	SU-DHL-1	Homo sapiens	IC50	=	564526.88	nM	DOI[10.6019/CHEMBL1201861]
NPT2157	Cell line	SUP-T1	Homo sapiens	IC50	=	734271.61	nM	DOI[10.6019/CHEMBL1201861]
NPT2145	Cell line	TE-15	Homo sapiens	IC50	=	517994.69	nM	DOI[10.6019/CHEMBL1201861]
NPT2158	Cell line	TE-441-T	Homo sapiens	IC50	=	30016.73	nM	DOI[10.6019/CHEMBL1201861]
NPT2159	Cell line	TE-5	Homo sapiens	IC50	=	31590.74	nM	DOI[10.6019/CHEMBL1201861]
NPT2160	Cell line	no-10	Homo sapiens	IC50	=	1335.78	nM	DOI[10.6019/CHEMBL1201861]
NPT2161	Cell line	no-11	Homo sapiens	IC50	=	51921.29	nM	DOI[10.6019/CHEMBL1201861]
NPT2162	Cell line	HCE-T	Homo sapiens	IC50	=	110736.11	nM	DOI[10.6019/CHEMBL1201861]
NPT2163	Cell line	KMOE-2	Homo sapiens	IC50	=	32081.84	nM	DOI[10.6019/CHEMBL1201861]
NPT2164	Cell line	KMS-12-PE	Homo sapiens	IC50	=	81668.39	nM	DOI[10.6019/CHEMBL1201861]
NPT2165	Cell line	KNS-42	Homo sapiens	IC50	=	297538.31	nM	DOI[10.6019/CHEMBL1201861]
NPT2166	Cell line	LB831-BLC	Homo sapiens	IC50	=	286607.88	nM	DOI[10.6019/CHEMBL1201861]
NPT2167	Cell line	LB996-RCC	Homo sapiens	IC50	=	193105.76	nM	DOI[10.6019/CHEMBL1201861]
NPT2168	Cell line	MZ2-MEL	Homo sapiens	IC50	=	229620.05	nM	DOI[10.6019/CHEMBL1201861]
NPT1820	Cell line	NCI-H1650	Homo sapiens	IC50	=	925609.09	nM	DOI[10.6019/CHEMBL1201861]
NPT3094	Cell line	NCI-H378	Homo sapiens	IC50	=	713513.96	nM	DOI[10.6019/CHEMBL1201861]
NPT937	Cell line	NCI-H446	Homo sapiens	IC50	=	201237.94	nM	DOI[10.6019/CHEMBL1201861]
NPT2170	Cell line	RKO	Homo sapiens	IC50	=	6988.49	nM	DOI[10.6019/CHEMBL1201861]
NPT2171	Cell line	SIG-M5	Homo sapiens	IC50	=	211054.21	nM	DOI[10.6019/CHEMBL1201861]
NPT2172	Cell line	SIMA	Homo sapiens	IC50	=	39615.84	nM	DOI[10.6019/CHEMBL1201861]
NPT2173	Cell line	TE-6	Homo sapiens	IC50	=	408824.92	nM	DOI[10.6019/CHEMBL1201861]
NPT2174	Cell line	TE-8	Homo sapiens	IC50	=	478116.3	nM	DOI[10.6019/CHEMBL1201861]
NPT2175	Cell line	GAK	Homo sapiens	IC50	=	31345.26	nM	DOI[10.6019/CHEMBL1201861]
NPT2176	Cell line	HD-MY-Z	Homo sapiens	IC50	=	67632.39	nM	DOI[10.6019/CHEMBL1201861]
NPT2178	Cell line	KNS-81-FD	Homo sapiens	IC50	=	297713.02	nM	DOI[10.6019/CHEMBL1201861]
NPT2179	Cell line	LC-1F	Homo sapiens	IC50	=	688760.08	nM	DOI[10.6019/CHEMBL1201861]
NPT2180	Cell line	LC-2-ad	Homo sapiens	IC50	=	434857.33	nM	DOI[10.6019/CHEMBL1201861]
NPT2181	Cell line	MEG-01	Homo sapiens	IC50	=	40980.65	nM	DOI[10.6019/CHEMBL1201861]
NPT2169	Cell line	MZ7-mel	Homo sapiens	IC50	=	30224.08	nM	DOI[10.6019/CHEMBL1201861]
NPT2183	Cell line	NCI-H1694	Homo sapiens	IC50	=	95820.15	nM	DOI[10.6019/CHEMBL1201861]
NPT2184	Cell line	NCI-H510A	Homo sapiens	IC50	=	142981.32	nM	DOI[10.6019/CHEMBL1201861]
NPT2185	Cell line	OCI-AML2	Homo sapiens	IC50	=	608313.27	nM	DOI[10.6019/CHEMBL1201861]
NPT2186	Cell line	RL	Homo sapiens	IC50	=	180550.41	nM	DOI[10.6019/CHEMBL1201861]
NPT2187	Cell line	RL95-2	Homo sapiens	IC50	=	164072.93	nM	DOI[10.6019/CHEMBL1201861]
NPT2188	Cell line	SJSA-1	Homo sapiens	IC50	=	55948.41	nM	DOI[10.6019/CHEMBL1201861]
NPT2189	Cell line	TE-9	Homo sapiens	IC50	=	183353.32	nM	DOI[10.6019/CHEMBL1201861]
NPT2190	Cell line	GB-1	Homo sapiens	IC50	=	373069.6	nM	DOI[10.6019/CHEMBL1201861]
NPT2191	Cell line	GCIY	Homo sapiens	IC50	=	5979.73	nM	DOI[10.6019/CHEMBL1201861]
NPT2177	Cell line	HDLM-2	Homo sapiens	IC50	=	320234.97	nM	DOI[10.6019/CHEMBL1201861]
NPT2192	Cell line	HEL	Homo sapiens	IC50	=	3181.06	nM	DOI[10.6019/CHEMBL1201861]
NPT2193	Cell line	IM-9	Homo sapiens	IC50	=	208395.77	nM	DOI[10.6019/CHEMBL1201861]
NPT2194	Cell line	IMR-5	Homo sapiens	IC50	=	846788.54	nM	DOI[10.6019/CHEMBL1201861]
NPT2195	Cell line	LC4-1	Homo sapiens	IC50	=	126137.55	nM	DOI[10.6019/CHEMBL1201861]
NPT623	Cell line	NALM-6	Homo sapiens	IC50	=	33016.91	nM	DOI[10.6019/CHEMBL1201861]
NPT2196	Cell line	NB1	Homo sapiens	IC50	=	369463.15	nM	DOI[10.6019/CHEMBL1201861]
NPT2198	Cell line	NCI-H524	Homo sapiens	IC50	=	14023.51	nM	DOI[10.6019/CHEMBL1201861]
NPT2199	Cell line	OCUB-M	Homo sapiens	IC50	=	154754.19	nM	DOI[10.6019/CHEMBL1201861]
NPT2200	Cell line	RPMI-6666	Homo sapiens	IC50	=	47577.5	nM	DOI[10.6019/CHEMBL1201861]
NPT2201	Cell line	SK-LMS-1	Homo sapiens	IC50	=	15732.79	nM	DOI[10.6019/CHEMBL1201861]
NPT2202	Cell line	TGBC1TKB	Homo sapiens	IC50	=	373361.46	nM	DOI[10.6019/CHEMBL1201861]
NPT2203	Cell line	GDM-1	Homo sapiens	IC50	=	36716.12	nM	DOI[10.6019/CHEMBL1201861]
NPT2204	Cell line	HH	Homo sapiens	IC50	=	309920.87	nM	DOI[10.6019/CHEMBL1201861]
NPT2205	Cell line	IST-MEL1	Homo sapiens	IC50	=	421446.99	nM	DOI[10.6019/CHEMBL1201861]
NPT2206	Cell line	IST-MES1	Homo sapiens	IC50	=	268454.11	nM	DOI[10.6019/CHEMBL1201861]
NPT2207	Cell line	KP-N-YN	Homo sapiens	IC50	=	52265.47	nM	DOI[10.6019/CHEMBL1201861]
NPT2208	Cell line	KP-N-YS	Homo sapiens	IC50	=	156630.1	nM	DOI[10.6019/CHEMBL1201861]
NPT2210	Cell line	NB10	Homo sapiens	IC50	=	19292.07	nM	DOI[10.6019/CHEMBL1201861]
NPT2211	Cell line	NB12	Homo sapiens	IC50	=	248782.25	nM	DOI[10.6019/CHEMBL1201861]
NPT2197	Cell line	NCI-H1770	Homo sapiens	IC50	=	21594.44	nM	DOI[10.6019/CHEMBL1201861]
NPT383	Cell line	SNB-19	Homo sapiens	GI50	=	63100.0	nM	PMID[23725535]
NPT377	Cell line	OVCAR-3	Homo sapiens	GI50	=	19950.0	nM	PMID[23725535]
NPT388	Cell line	NCI-H322M	Homo sapiens	GI50	=	19950.0	nM	PMID[23725535]
NPT112	Cell line	MOLT-4	Homo sapiens	GI50	=	15850.0	nM	PMID[23725535]
NPT406	Cell line	RXF 393	Homo sapiens	GI50	=	12590.0	nM	PMID[23725535]
NPT393	Cell line	HCT-116	Homo sapiens	GI50	=	10000.0	nM	PMID[23725535]
NPT390	Cell line	LOX IMVI	Homo sapiens	GI50	=	7940.0	nM	PMID[23725535]
NPT76	Cell line	C6	Rattus norvegicus	IC50	=	6600.0	nM	PMID[25102048]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	6900.0	nM	PMID[25102048]
NPT404	Cell line	CCRF-CEM	Homo sapiens	GI50	=	7940.0	nM	PMID[24928404]
NPT116	Cell line	HL-60	Homo sapiens	GI50	=	5010.0	nM	PMID[24928404]
NPT111	Cell line	K562	Homo sapiens	GI50	=	19900.0	nM	PMID[24928404]
NPT455	Cell line	NCI-H522	Homo sapiens	GI50	=	5010.0	nM	PMID[24928404]
NPT323	Cell line	SW-620	Homo sapiens	GI50	=	15800.0	nM	PMID[24928404]
NPT392	Cell line	SNB-75	Homo sapiens	GI50	=	50100.0	nM	PMID[24928404]
NPT375	Cell line	Malme-3M	Homo sapiens	GI50	=	12500.0	nM	PMID[24928404]
NPT458	Cell line	IGROV-1	Homo sapiens	GI50	=	19900.0	nM	PMID[24928404]
NPT308	Cell line	CAKI-1	Homo sapiens	GI50	=	10000.0	nM	PMID[24928404]
NPT83	Cell line	MCF7	Homo sapiens	GI50	=	15800.0	nM	PMID[24928404]
NPT384	Cell line	TK-10	Homo sapiens	IC50	=	3710.0	nM	PMID[25461309]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	2400.0	nM	PMID[25461309]
NPT1535	Cell line	U-87 MG	Homo sapiens	IC50	=	8800.0	nM	PMID[25978958]
NPT76	Cell line	C6	Rattus norvegicus	IC50	=	2500.0	nM	PMID[26226279]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	2000.0	nM	PMID[26226279]
NPT179	Cell line	A2780	Homo sapiens	TGI	=	10.0	%	PMID[27077228]
NPT179	Cell line	A2780	Homo sapiens	EC50	=	12900.0	nM	PMID[27077228]
NPT165	Cell line	HeLa	Homo sapiens	IC50	=	5700.0	nM	PMID[27077228]
NPT660	Cell line	SW480	Homo sapiens	IC50	=	15300.0	nM	PMID[27077228]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	4200.0	nM	PMID[28068601]
NPT839	Cell line	L6	Rattus norvegicus	IC50	=	7200.0	nM	PMID[29244495]
NPT181	Cell line	Bel-7402	Homo sapiens	IC50	=	4100.0	nM	PMID[30006167]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	2410.0	nM	PMID[30006167]
NPT461	Cell line	PANC-1	Homo sapiens	IC50	=	9630.0	nM	PMID[30006167]
NPT81	Cell line	A549	Homo sapiens	IC50	=	13820.0	nM	PMID[30006167]
NPT1535	Cell line	U-87 MG	Homo sapiens	IC50	=	8680.0	nM	PMID[30006167]
NPT886	Cell line	NIH3T3	Mus musculus	IC50	=	5350.0	nM	PMID[30006167]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	73.2	%	PMID[30006167]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	14.5	%	PMID[30006167]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	5.8	%	PMID[30006167]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	6.51	%	PMID[30006167]
NPT3722	Cell line	4T1	Mus musculus	IC50	=	4090.0	nM	PMID[30739826]
NPT1872	Cell line	Bcap37	Homo sapiens	IC50	=	4630.0	nM	PMID[30739826]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	2680.0	nM	PMID[30739826]
NPT82	Cell line	MDA-MB-231	Homo sapiens	IC50	=	3480.0	nM	PMID[30739826]
NPT6530	Cell line	MOLM-13	Homo sapiens	IC50	=	10000.0	nM	PMID[30830783]
NPT65	Cell line	HepG2	Homo sapiens	IC50	>	10000.0	nM	PMID[30830783]
NPT1535	Cell line	U-87 MG	Homo sapiens	IC50	=	4380.0	nM	PMID[31977207]
NPT2363	Cell line	U-118-MG	Homo sapiens	IC50	=	5940.0	nM	PMID[31977207]
NPT2111	Cell line	SF-126	Homo sapiens	IC50	=	17100.0	nM	PMID[31977207]
NPT380	Cell line	U-251	Homo sapiens	IC50	=	12550.0	nM	PMID[31977207]
NPT76	Cell line	C6	Rattus norvegicus	IC50	=	5450.0	nM	PMID[31977207]
NPT886	Cell line	NIH3T3	Mus musculus	IC50	=	7140.0	nM	PMID[31977207]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	4940.0	nM	PMID[30711391]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	3380.0	nM	PMID[30711391]
NPT65	Cell line	HepG2	Homo sapiens	IC50	=	17000.0	nM	PMID[33289552]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	11000.0	nM	PMID[33289552]
NPT405	Cell line	NCI-H226	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT377	Cell line	OVCAR-3	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT112	Cell line	MOLT-4	Homo sapiens	GI50	=	15800.0	nM	PMID[34229108]
NPT388	Cell line	NCI-H322M	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	7410.0	nM	PMID[34847663]
NPT391	Cell line	HCC 2998	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT393	Cell line	HCT-116	Homo sapiens	GI50	=	10000.0	nM	PMID[34229108]
NPT148	Cell line	HCT-15	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT455	Cell line	NCI-H522	Homo sapiens	GI50	=	5010.0	nM	PMID[34229108]
NPT380	Cell line	U-251	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT376	Cell line	A498	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT399	Cell line	SF-295	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT371	Cell line	UO-31	Homo sapiens	GI50	=	12500.0	nM	PMID[34229108]
NPT458	Cell line	IGROV-1	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT457	Cell line	BT-549	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT660	Cell line	SW480	Homo sapiens	IC50	=	3560.0	nM	PMID[34847663]
NPT81	Cell line	A549	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT372	Cell line	HOP-92	Homo sapiens	GI50	=	12500.0	nM	PMID[34229108]
NPT370	Cell line	NCI-H23	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT379	Cell line	HOP-62	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT404	Cell line	CCRF-CEM	Homo sapiens	GI50	=	7940.0	nM	PMID[34229108]
NPT374	Cell line	SF-539	Homo sapiens	GI50	=	19900.0	nM	PMID[34229108]
NPT1045	Cell line	U2OS	Homo sapiens	IC50	=	7000.0	nM	PMID[34847663]
NPT392	Cell line	SNB-75	Homo sapiens	GI50	=	50100.0	nM	PMID[34229108]
NPT403	Cell line	UACC-257	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT65	Cell line	HepG2	Homo sapiens	IC50	=	26130.0	nM	PMID[34847663]
NPT389	Cell line	RPMI-8226	Homo sapiens	GI50	=	7940.0	nM	PMID[34229108]
NPT111	Cell line	K562	Homo sapiens	GI50	=	19900.0	nM	PMID[34229108]
NPT387	Cell line	M14	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT375	Cell line	Malme-3M	Homo sapiens	GI50	=	12500.0	nM	PMID[34229108]
NPT407	Cell line	COLO 205	Homo sapiens	GI50	=	15800.0	nM	PMID[34229108]
NPT308	Cell line	CAKI-1	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT386	Cell line	KM12	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT397	Cell line	NCI-H460	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT90	Cell line	DU-145	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT396	Cell line	T47D	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT323	Cell line	SW-620	Homo sapiens	GI50	=	15800.0	nM	PMID[34229108]
NPT395	Cell line	SF-268	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT390	Cell line	LOX IMVI	Homo sapiens	GI50	=	7940.0	nM	PMID[34229108]
NPT369	Cell line	ACHN	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT381	Cell line	OVCAR-8	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT82	Cell line	MDA-MB-231	Homo sapiens	IC50	=	8680.0	nM	PMID[34847663]
NPT385	Cell line	SR	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT456	Cell line	OVCAR-4	Homo sapiens	GI50	=	19900.0	nM	PMID[34229108]
NPT384	Cell line	TK-10	Homo sapiens	GI50	=	10000.0	nM	PMID[34229108]
NPT306	Cell line	PC-3	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT170	Cell line	SK-MEL-28	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT398	Cell line	UACC-62	Homo sapiens	GI50	=	3480.0	nM	PMID[34229108]
NPT406	Cell line	RXF 393	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT400	Cell line	MDA-MB-435	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	8120.0	nM	PMID[34847663]
NPT83	Cell line	MCF7	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT139	Cell line	HT-29	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT383	Cell line	SNB-19	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT382	Cell line	OVCAR-5	Homo sapiens	GI50	=	19900.0	nM	PMID[34229108]
NPT378	Cell line	NCI/ADR-RES	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT401	Cell line	786-0	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT82	Cell line	MDA-MB-231	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT784	Cell line	MDA-MB-468	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT394	Cell line	EKVX	Homo sapiens	GI50	n.a.	n.a.	n.a.	PMID[34229108]
NPT81	Cell line	A549	Homo sapiens	IC50	=	10320.0	nM	PMID[34847663]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	10000.0	nM	PMID[19734910]
NPT6	Organism	Plasmodium falciparum	Plasmodium falciparum	IC50	=	12589.25	nM	PMID[19734910]
NPT3091	Organism	Orobanche cernua var. cumana	Orobanche cernua var. cumana	Activity	>	40.0	%	PMID[11902932]
NPT844	Organism	Trypanosoma brucei rhodesiense	Trypanosoma brucei rhodesiense	IC50	=	390.0	nM	PMID[29244495]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	11.81	%	DOI[10.21203/rs.3.rs-23951/v1]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-0.48	%	DOI[10.6019/CHEMBL4495565]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	Inhibition	=	-0.34	%	DOI[10.6019/CHEMBL4495565]
NPT28438	Unchecked	Unchecked	n.a.	GI50	=	15800.0	nM	PMID[34229108]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	ED50	=	0.45	ug ml-1	PMID[3437284]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	ED50	=	0.76	ug ml-1	PMID[3437284]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	3030.0	nM	PMID[1431933]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	5640.0	nM	PMID[1431933]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	20.3	%	PMID[1431933]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	1.37	ug.mL-1	PMID[14695795]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	84.0	%	PMID[19505822]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	CFU	=	0.0	n.a.	PMID[22985027]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	CFU	=	2.0	n.a.	PMID[22985027]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	FC	=	2.6	n.a.	PMID[22985027]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	FC	=	3.8	n.a.	PMID[22985027]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	4.7	%	PMID[22985027]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	13.2	%	PMID[22985027]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	8.3	%	PMID[22985027]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	18.0	%	PMID[22985027]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	4100.0	nM	PMID[22985027]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	3000.0	nM	PMID[25464887]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	2500.0	nM	PMID[25102048]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	10300.0	nM	PMID[25102048]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	15800.0	nM	PMID[24928404]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	7940.0	nM	PMID[24928404]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	12500.0	nM	PMID[24928404]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	10000.0	nM	PMID[24928404]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	19900.0	nM	PMID[24928404]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Inhibition	=	100.3	%	PMID[25418070]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	EC50	=	125.89	nM	PMID[25418070]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	EC50	=	501.19	nM	PMID[25418070]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	9710.0	nM	PMID[25461309]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	7600.0	nM	PMID[25978958]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	3400.0	nM	PMID[25978958]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	2570.0	nM	PMID[25975638]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	2300.0	nM	PMID[26226279]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	11.0	%	PMID[26264501]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	22.0	%	PMID[26264501]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	12.0	%	PMID[26264501]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	EC50	=	6000.0	nM	PMID[26540463]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	EC50	=	16000.0	nM	PMID[26540463]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	EC50	=	2500.0	nM	PMID[26540463]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	EC50	=	4700.0	nM	PMID[26540463]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	EC50	=	8000.0	nM	PMID[26540463]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	EC50	=	7000.0	nM	PMID[26540463]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	9800.0	nM	PMID[27077228]
NPT23712	Cell line	KG-1a	Homo sapiens	Activity	=	84.7	%	PMID[28068601]
NPT23712	Cell line	KG-1a	Homo sapiens	Activity	=	1.81	%	PMID[28068601]
NPT23712	Cell line	KG-1a	Homo sapiens	Activity	=	13.1	%	PMID[28068601]
NPT23712	Cell line	KG-1a	Homo sapiens	Activity	=	0.336	%	PMID[28068601]
NPT23712	Cell line	KG-1a	Homo sapiens	Activity	=	95.2	%	PMID[28068601]
NPT23712	Cell line	KG-1a	Homo sapiens	Activity	=	0.327	%	PMID[28068601]
NPT23712	Cell line	KG-1a	Homo sapiens	Activity	=	4.08	%	PMID[28068601]
NPT23712	Cell line	KG-1a	Homo sapiens	Activity	=	0.413	%	PMID[28068601]
NPT23712	Cell line	KG-1a	Homo sapiens	IC50	=	3500.0	nM	PMID[28068601]
NPT23713	Cell line	FHC	Homo sapiens	IC50	=	1560.0	nM	PMID[30006167]
NPT25046	Cell line	NCM460	Homo sapiens	IC50	=	2780.0	nM	PMID[34847663]
NPT20967	Cell line	Platelet	n.a.	IC50	=	3030.0	nM	PMID[18271521]
NPT23714	Cell line	SUM-159-PT	Homo sapiens	Activity	=	0.049	%	PMID[30739826]
NPT23714	Cell line	SUM-159-PT	Homo sapiens	Activity	=	1.1	%	PMID[30739826]
NPT23714	Cell line	SUM-159-PT	Homo sapiens	Activity	=	2.49	%	PMID[30739826]
NPT23714	Cell line	SUM-159-PT	Homo sapiens	Activity	=	96.4	%	PMID[30739826]
NPT23714	Cell line	SUM-159-PT	Homo sapiens	IC50	=	3060.0	nM	PMID[30739826]
NPT2254	Organism	Schistosoma mansoni	Schistosoma mansoni	Activity	=	64.1	%	PMID[33479649]
NPT23303	Cell line	HL-60(TB)	Homo sapiens	GI50	=	5010.0	nM	PMID[34229108]
NPT2254	Organism	Schistosoma mansoni	Schistosoma mansoni	Activity	=	100.0	%	PMID[33479649]
NPT2	Others	Unspecified	n.a.	IC50	=	9760.0	nM	PMID[19269818]
NPT2	Others	Unspecified	n.a.	Ki	=	230000.0	nM	PMID[9214741]
NPT2	Others	Unspecified	n.a.	IC50	=	2340.0	nM	PMID[14510600]
NPT2	Others	Unspecified	n.a.	IC50	=	3300.0	nM	PMID[20738102]
NPT2	Others	Unspecified	n.a.	IC50	=	4700.0	nM	PMID[22137846]
NPT2	Others	Unspecified	n.a.	IC50	=	1400.0	nM	PMID[21800856]
NPT2	Others	Unspecified	n.a.	Activity	=	1.73	%	PMID[22985027]
NPT2	Others	Unspecified	n.a.	Activity	=	60.3	%	PMID[22985027]
NPT2	Others	Unspecified	n.a.	Activity	=	27.8	%	PMID[22985027]
NPT2	Others	Unspecified	n.a.	Activity	=	0.046	%	PMID[22985027]
NPT2	Others	Unspecified	n.a.	IC50	=	0.68	ug.mL-1	DOI[10.1007/s00044-011-9882-z]
NPT2	Others	Unspecified	n.a.	IC50	=	1500.0	nM	PMID[24467387]
NPT2	Others	Unspecified	n.a.	IC50	=	1630.0	nM	PMID[24471493]
NPT2	Others	Unspecified	n.a.	Inhibition	>	95.0	%	PMID[27077228]
NPT2	Others	Unspecified	n.a.	EC50	=	7000.0	nM	PMID[26540463]

In vivo activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2254	Organism	Schistosoma mansoni	Schistosoma mansoni	mortality	=	100.0	%	PMID[33479649]

Experimental ADME

Experiment Model	Experiment Tissue	ADME Type	ADME Relation	ADME Value	ADME Unit	Reference
Rattus norvegicus	Plasma	T1/2	=	0.2783	hr	PMID[26226279]
Homo sapiens	Liver	T1/2	=	1.392	hr	PMID[26226279]

Experimental Toxicity

Quantitative toxicity

Experiment Model	Experiment Organism	Toxicity Type	Toxicity Relation	Toxicity Value	Toxicity Unit	Reference

Common Abbreviations:
LC: Lethal Concentration; LD: Lethal Dose; LT:Lethal Time; NOAEL: No-observed-adverse-effect Level; BMDL: Benchmark Dose Lower Confidence Limit; BMD: Benchmark Dose; BMC:Benchmark Concentration; LOAEL: Lowest Observed Adverse Effect Level; RfD:Reference Dose; RfC:Reference Concentration; MRL: Minimal Risk Level; MEG: Maximum Exposure Guideline; PAC: Protective Action Criteria

Categorical toxicity labels

Hepatotoxicity	Carcinogenicity	Mutagenicity	Cardiotoxicity	Respiratory Toxicity	Eye Irritation	Endocrine Disruption

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 toxicity records from domain-specific databases. These databases include:
☉ ToxValDB: a curated database that compiles quantitative toxicity values for chemicals from diverse public sources to support toxicological research and risk assessment.
☉ TOXRIC: a comprehensive, free-to-access, online database providing toxicological/feature data. The toxicity labels are retrieved from this database. [PMID: 36400569]

Chemically structural similarity

Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes approximately 50,000 NPs with experimentally-derived bioactivity available in NPASS)

Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.

● The left chart: Distribution of similarity level between NPC50362 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	22085
0.1-0.2	24364
0.2-0.3	2954
0.3-0.4	351
0.4-0.5	60
0.5-0.6	27
0.6-0.7	8
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	5

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC38468
1.0	High Similarity	NPC192678
1.0	High Similarity	NPC319795
1.0	High Similarity	NPC488056
1.0	High Similarity	NPC605079
0.7708	Intermediate Similarity	NPC608845
0.6939	Remote Similarity	NPC49342
0.6939	Remote Similarity	NPC251385
0.6346	Remote Similarity	NPC303942
0.6346	Remote Similarity	NPC57405
0.6327	Remote Similarity	NPC207188
0.6296	Remote Similarity	NPC605339
0.6154	Remote Similarity	NPC151770
0.6	Remote Similarity	NPC471147
0.5965	Remote Similarity	NPC482125
0.5965	Remote Similarity	NPC482124
0.5926	Remote Similarity	NPC484396
0.5789	Remote Similarity	NPC475659
0.569	Remote Similarity	NPC487572
0.569	Remote Similarity	NPC473859
0.5517	Remote Similarity	NPC231889
0.551	Remote Similarity	NPC58956
0.551	Remote Similarity	NPC163003
0.551	Remote Similarity	NPC295633
0.551	Remote Similarity	NPC269206
0.5424	Remote Similarity	NPC483718
0.5357	Remote Similarity	NPC272814
0.5263	Remote Similarity	NPC481994
0.5254	Remote Similarity	NPC329857
0.5254	Remote Similarity	NPC469718
0.5246	Remote Similarity	NPC288876
0.5185	Remote Similarity	NPC256273
0.5179	Remote Similarity	NPC70251
0.5179	Remote Similarity	NPC475881
0.5172	Remote Similarity	NPC481908
0.5172	Remote Similarity	NPC481801
0.5172	Remote Similarity	NPC481993
0.5167	Remote Similarity	NPC474035
0.5167	Remote Similarity	NPC215988
0.5167	Remote Similarity	NPC81386
0.5094	Remote Similarity	NPC93213

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC50362 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	7267
0.1-0.2	1829
0.2-0.3	51
0.3-0.4	2
0.4-0.5	0
0.5-0.6	0
0.6-0.7	0
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD1733	Clinical (unspecified phase)

Bioactivity similarity

Similar Natural Products in NPASS

Similarity level is defined by 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