NPASS Compound

Natural Product: NPC302688

Natural Product ID	NPC302688
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	GBABOYUKABKIAF-IELIFDKJSA-N
IUPAC Name	n.a.
Synonyms
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	n.a.
PubChem CID	5311497
Chemical Classification	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000279] Alkaloids and derivatives [CHEMONTID:0002756] Vinca alkaloids

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 111119 0 0 0 0 0 0 0 0999 V2000 4.8992 4.6793 1.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9377 3.8791 2.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8039 2.4027 2.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7797 1.7557 2.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3869 0.4496 2.1510 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8334 0.8600 0.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3828 -0.0011 -0.1826 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1039 -0.6961 -0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 -0.2959 -0.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2892 -0.9346 -0.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3136 -2.0211 0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1489 -2.4535 0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0444 -1.8104 0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1671 -2.2894 1.3942 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0419 -3.4183 2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 -2.5371 0.2568 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0246 -3.8248 0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5107 -1.5482 -0.3391 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6380 -0.6674 -1.1454 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6846 -1.0962 -2.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1076 0.0928 -3.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4774 1.2010 -2.4685 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2502 2.1205 -3.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7126 1.9325 -3.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1956 1.5235 -1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2834 1.2506 -0.7653 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0353 2.6438 -0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2479 3.3297 0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9546 0.7821 -1.2020 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0151 0.3900 0.2244 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3296 -0.8559 0.6848 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5110 -0.6933 1.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4845 0.0529 1.9701 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8037 -1.3550 3.1143 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0078 -1.1843 4.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3644 -1.7576 1.0361 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3627 0.1379 -0.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4722 0.5348 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2923 1.1550 1.5521 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8194 0.2068 -0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4859 -0.9647 -0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8437 -1.0494 -0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9559 -0.2817 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 0.3393 1.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8279 1.7296 1.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6854 -0.2964 2.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2654 -2.2162 -1.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5066 -2.7676 -1.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5633 -3.9577 -2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4302 -4.5595 -2.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1928 -4.0040 -2.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1416 -2.8055 -1.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0922 -2.0452 -1.3103 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3301 0.8759 -1.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6005 0.6177 -2.4034 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1303 2.0184 -1.5357 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1147 2.8552 -2.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8993 5.0122 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4868 5.6224 1.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4204 4.2140 0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9337 4.0109 2.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1069 4.2261 3.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2819 2.1265 3.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6789 -0.0359 2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9795 1.5805 1.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5764 1.6033 0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 0.5958 -1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2354 -3.3304 1.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -3.2352 3.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7717 -4.3106 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 -3.5765 2.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6062 -4.6644 0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1252 -3.9552 0.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6081 -4.0058 1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1514 -2.1676 -1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7758 -1.2635 -2.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1191 -2.0423 -2.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -0.0600 -3.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 0.1517 -4.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0401 1.9326 -4.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9827 3.1956 -3.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3796 2.1414 -3.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2780 1.4025 -1.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3972 2.4040 0.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4161 3.2768 -0.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1883 3.0309 -0.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4043 3.1548 1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1914 4.4551 0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2051 1.2481 -0.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1509 0.9853 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9305 -1.3118 4.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3695 -1.9356 5.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2236 -0.1942 4.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6926 -1.6385 1.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7731 -0.6615 -0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2146 1.1243 -0.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4402 -0.1189 0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8537 -0.9527 0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3584 0.4705 -0.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9178 2.2508 0.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8455 1.8913 1.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -1.3436 1.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0870 -0.2418 3.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4100 -2.3075 -1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -4.3928 -2.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5186 -5.4847 -3.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2749 -4.4602 -2.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1076 -2.2964 -1.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0759 3.9061 -2.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0586 2.7248 -3.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2206 2.7012 -3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 11 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 6 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 1 27 28 1 0 26 29 1 0 26 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 31 36 1 1 30 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 7 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 42 47 1 0 47 48 2 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 52 53 1 0 7 54 1 6 54 55 2 0 54 56 1 0 56 57 1 0 45 3 1 0 52 47 1 0 46 5 1 0 13 8 1 0 31 18 1 0 53 41 1 0 19 10 1 0 29 22 1 0 29 19 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 4 63 1 0 5 64 1 1 6 65 1 0 6 66 1 0 9 67 1 0 12 68 1 0 15 69 1 0 15 70 1 0 15 71 1 0 17 72 1 0 17 73 1 0 17 74 1 0 18 75 1 6 20 76 1 0 20 77 1 0 21 78 1 0 21 79 1 0 23 80 1 0 23 81 1 0 24 82 1 0 25 83 1 0 27 84 1 0 27 85 1 0 28 86 1 0 28 87 1 0 28 88 1 0 29 89 1 1 30 90 1 1 35 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 40 95 1 0 40 96 1 0 40 97 1 0 43 98 1 0 43 99 1 0 45100 1 0 45101 1 0 46102 1 0 46103 1 0 48104 1 0 49105 1 0 50106 1 0 51107 1 0 53108 1 0 57109 1 0 57110 1 0 57111 1 0 M END

Standard InCHIKey	GBABOYUKABKIAF-IELIFDKJSA-N
Standard InCHI	InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42+,43+,44-,45-/m0/s1
SMILES	CCC1=C[C@H]2C[C@](c3cc4c(cc3OC)N(C)[C@@H]3[C@@]54CCN4CC=C[C@](CC)([C@@H]54)[C@H]([C@@]3(C(=O)OC)O)OC(=O)C)(c3c(CN(C1)C2)c1ccccc1[nH]3)C(=O)OC

Calculated Properties

Physi-Chem Properties

Molecular Weight:	778.39	Volume:	792.539 ? Van der Waals volume.
Dense:	0.982	LogP:	3.39 ? The logarithm of the n-octanol/water distribution coefficients.
logD7.4:	3.059 ? The logarithm of the n-octanol/water distribution coefficient at pH=7.4.	LogS:	-4.042 ? The logarithm of aqueous solubility value.
Rotatable Bonds:	10.0	Rigid Bonds:	47.0
TPSA:	133.87 ? Topological Polar Surface Area.	H-Bond Acceptor:	12.0
H-Bond Donor:	2.0	Rings:	9.0
Heavy Atoms:	12.0

MedChem Properties

QED Drug-Likeness Score:	0.196	GASA:	1.0 ? GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:	6.661	Fsp³:	0.533
MCE-18:	257.217 ? MCE-18 stands for medicinal chemistry evolution.MCE-18≥45 is considered a suitable value.	Lipinski Rule-of-5:	Accepted
Pfizer Rule:	Rejected	GSK Rule:	Accepted
Golden Triangle Rule:	Accepted	BMS Rule:	0
Chelating Alert:	0	PAINS Alert:	0
Colloidal aggregators:	0.456	Fluc inhibitor:	0.001 ? The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:	0.897 ? The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1	Green fluorescence:	0.848 ? The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:	0.0	Promiscuous compounds:	0.974

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:	-5.8	MDCK Permeability:	-5.136
Pgp-inhibitor:	0.0	Pgp-substrate:	1.0
PAMPA:	0.054 ? 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):	0.0
20% Bioavailability (F20%):	0.006	30% Bioavailability (F30%):	0.991
50% Bioavailability (F50%):	0.998

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.001	MRP1:	1.0
Plasma Protein Binding (PPB):	87.714%	Volume Distribution (VD):	0.563
Fu:	13.084% ? The fraction unbound in plasms.	OATP1B1 inhibitor:	0.962
OATP1B3 inhibitor:	0.992	BCRP inhibitor:	0.123
BSEP inhibitor:	0.997

ADMET: Metabolism

CYP1A2-inhibitor:	1.0	CYP1A2-substrate:	0.0
CYP2C19-inhibitor:	1.0	CYP2C19-substrate:	0.0
CYP2C9-inhibitor:	0.502	CYP2C9-substrate:	0.125
CYP2D6-inhibitor:	0.997	CYP2D6-substrate:	1.0
CYP3A4-inhibitor:	1.0	CYP3A4-substrate:	0.97
CYP2B6-substrate:	0.913	CYP2C8-inhibitor:	0.796
HLM stability:	0.999 ? 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):

10.1

Half-life (T1/2):

1.376

ADMET: Toxicity

hERG Blockers:	0.81	hERG Blockers (10um):	0.445
Human Hepatotoxicity (H-HT):	0.95	Drug-induced Liver Injury (DILI):	0.994
AMES Toxicity:	0.908	Rat Oral Acute Toxicity:	0.919
Maximum Recommended Daily Dose:	1.0	Skin Sensitization:	0.997
Carcinogencity:	0.545	Eye Corrosion:	0.0
Eye Irritation:	0.0	Respiratory Toxicity:	0.999
Drug-induced Neurotoxicity:	0.981	Ototoxicity:	0.949
Hematotoxicity:	0.937	Drug-induced Nephrotoxicity:	1.0
Genotoxicity:	1.0	RPMI-8226 Immunitoxicity:	0.717
A549 Cytotoxicity:	0.992	Hek293 Cytotoxicity:	0.971
BCF:	0.961 ? 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:	4.273 ? 48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:	5.607 ? 48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].	LC50FM:	5.32 ? 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
NPO40015	Anacolosa clarkii	Species	Aptandraceae	Eukaryota	n.a.	n.a.	n.a.	PMID[30830773]

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
Ratio	8
Inhibition	17
IC50	739
AC50	31
Activity	30
GI50	2
EC50	3
Ratio EC50	1
GI	1
Ratio IC50	1
TGI	4
T/C	1
CC50	1

Activity Type	# Activity
Individual protein	34
Cell line	764
Protein family	1
Protein complex	3
Protein complex group	1
Organism	6
Others	16
Non-molecular	14

Molecular-level activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT228	Individual protein	Norepinephrine transporter	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT204	Individual protein	Acetylcholinesterase	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT263	Individual protein	Muscarinic acetylcholine receptor M2	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT1478	Individual protein	Vascular endothelial growth factor receptor 2	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT153	Individual protein	Androgen Receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT222	Individual protein	Alpha-2a adrenergic receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT145	Individual protein	Mu opioid receptor	Homo sapiens	AC50	=	6755.1	nM	PMID[37468498]
NPT291	Individual protein	Serotonin 2b (5-HT2b) receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT2761	Individual protein	Phosphodiesterase 4A	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT1788	Individual protein	Alpha-1a adrenergic receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT262	Individual protein	Muscarinic acetylcholine receptor M1	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT218	Individual protein	Adenosine A3 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT30	Individual protein	Cyclooxygenase-1	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT242	Individual protein	Dopamine D1 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT261	Individual protein	Monoamine oxidase A	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT295	Individual protein	Serotonin transporter	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT2769	Individual protein	Thromboxane A2 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT246	Individual protein	Dopamine transporter	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT244	Individual protein	Dopamine D3 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT108	Individual protein	Estrogen receptor alpha	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT987	Individual protein	Histamine H3 receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT67	Individual protein	Cholinesterase	Equus caballus	Inhibition	=	12.23	%	PMID[23062825]
NPT692	Individual protein	Histone deacetylase 6	Homo sapiens	Inhibition	=	-4.06	%	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	=	10.04	%	HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators
NPT542	Individual protein	Progesterone receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT98	Individual protein	HERG	Homo sapiens	AC50	=	5500.0	nM	PMID[37468498]
NPT3014	Protein family	Tubulin	Sus scrofa	Ratio	=	1.19	n.a.	PMID[18468444]
NPT66	Individual protein	Acetylcholinesterase	Electrophorus electricus	Inhibition	=	-0.32	%	PMID[23062825]
NPT518	Protein complex	Tubulin	Homo sapiens	IC50	=	700.0	nM	PMID[25804719]
NPT518	Protein complex	Tubulin	Homo sapiens	IC50	=	2000.0	nM	PMID[26226379]
NPT5104	Individual protein	Phosphodiesterase 3A	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT92	Individual protein	Serotonin 1a (5-HT1a) receptor	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT30108	Protein complex group	Tubulin	Homo sapiens	IC50	=	0.308	nM	PMID[38516587]
NPT670	Individual protein	Thrombin	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]

In vitro activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT81	Cell line	A549	Homo sapiens	IC50	=	49.0	nM	PMID[17544278]
NPT165	Cell line	HeLa	Homo sapiens	IC50	=	26.0	nM	PMID[17544278]
NPT81	Cell line	A549	Homo sapiens	Activity	=	2.66	n.a.	PMID[17544278]
NPT81	Cell line	A549	Homo sapiens	Inhibition	=	75.9	%	PMID[17544278]
NPT91	Cell line	KB	Homo sapiens	IC50	=	40.0	nM	PMID[19072542]
NPT91	Cell line	KB	Homo sapiens	IC50	=	1.0	nM	PMID[19072542]
NPT81	Cell line	A549	Homo sapiens	IC50	=	36.9	nM	PMID[18771244]
NPT165	Cell line	HeLa	Homo sapiens	IC50	=	26.9	nM	PMID[18771244]
NPT83	Cell line	MCF7	Homo sapiens	GI50	=	2.4	nM	PMID[19147348]
NPT165	Cell line	HeLa	Homo sapiens	GI50	=	2.7	nM	PMID[19147348]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	70.0	nM	PMID[19743863]
NPT81	Cell line	A549	Homo sapiens	IC50	=	30.0	nM	PMID[19499938]
NPT165	Cell line	HeLa	Homo sapiens	IC50	=	27.0	nM	PMID[19499938]
NPT1317	Cell line	CCRF S-180	Mus musculus	Inhibition	=	69.4	%	PMID[19499938]
NPT659	Cell line	SMMC-7721	Homo sapiens	IC50	=	4700.0	nM	PMID[20462230]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	17200.0	nM	PMID[20462230]
NPT81	Cell line	A549	Homo sapiens	IC50	=	26100.0	nM	PMID[20462230]
NPT116	Cell line	HL-60	Homo sapiens	IC50	<	60.0	nM	PMID[20462230]
NPT660	Cell line	SW480	Homo sapiens	IC50	>	40000.0	nM	PMID[20462230]
NPT762	Cell line	A-431	Homo sapiens	IC50	=	60.0	nM	PMID[21480626]
NPT146	Cell line	SK-OV-3	Homo sapiens	IC50	=	26.7	nM	PMID[21480626]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	11.9	nM	PMID[21480626]
NPT397	Cell line	NCI-H460	Homo sapiens	IC50	=	43.7	nM	PMID[21480626]
NPT81	Cell line	A549	Homo sapiens	IC50	=	64.6	nM	PMID[21480626]
NPT91	Cell line	KB	Homo sapiens	EC50	=	6.0	nM	PMID[21480626]
NPT381	Cell line	OVCAR-8	Homo sapiens	IC50	=	300.0	nM	PMID[22044164]
NPT165	Cell line	HeLa	Homo sapiens	IC50	=	9.0	nM	PMID[22525316]
NPT81	Cell line	A549	Homo sapiens	IC50	=	10.0	nM	PMID[22525316]
NPT165	Cell line	HeLa	Homo sapiens	IC50	=	27.0	nM	PMID[22115594]
NPT81	Cell line	A549	Homo sapiens	GI	=	55.9	%	PMID[23107481]
NPT81	Cell line	A549	Homo sapiens	IC50	=	9.0	nM	PMID[23107481]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	72.85	%	PMID[23202849]
NPT2292	Cell line	CAL-33	Homo sapiens	Activity	=	49.16	%	PMID[23202849]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	3.41	%	PMID[23202849]
NPT2292	Cell line	CAL-33	Homo sapiens	Activity	=	17.62	%	PMID[23202849]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	21.42	%	PMID[23202849]
NPT2292	Cell line	CAL-33	Homo sapiens	Activity	=	9.96	%	PMID[23202849]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	1.39	%	PMID[23202849]
NPT2292	Cell line	CAL-33	Homo sapiens	Activity	=	24.44	%	PMID[23202849]
NPT4465	Cell line	HCT-116/VM46	Homo sapiens	IC50	=	600.0	nM	PMID[23252481]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	75.0	nM	PMID[23252481]
NPT137	Cell line	L1210	Mus musculus	IC50	=	65.0	nM	PMID[23252481]
NPT378	Cell line	NCI/ADR-RES	Homo sapiens	IC50	=	5000.0	nM	PMID[23214452]
NPT381	Cell line	OVCAR-8	Homo sapiens	IC50	=	300.0	nM	PMID[23214452]
NPT2268	Cell line	DOK	Homo sapiens	IC50	=	115.81	nM	DOI[10.6019/CHEMBL1201861]
NPT1899	Cell line	DSH1	Homo sapiens	IC50	=	4.868	nM	DOI[10.6019/CHEMBL1201861]
NPT4600	Cell line	DV-90	Homo sapiens	IC50	=	34.48	nM	DOI[10.6019/CHEMBL1201861]
NPT1184	Cell line	Daoy	Homo sapiens	IC50	=	6.646	nM	DOI[10.6019/CHEMBL1201861]
NPT464	Cell line	Daudi	Homo sapiens	IC50	=	84.92	nM	DOI[10.6019/CHEMBL1201861]
NPT90	Cell line	DU-145	Homo sapiens	IC50	=	4.814	nM	DOI[10.6019/CHEMBL1201861]
NPT1900	Cell line	DU-4475	Homo sapiens	IC50	=	48.13	nM	DOI[10.6019/CHEMBL1201861]
NPT4601	Cell line	EHEB	Homo sapiens	IC50	=	90.37	nM	DOI[10.6019/CHEMBL1201861]
NPT394	Cell line	EKVX	Homo sapiens	IC50	=	287.08	nM	DOI[10.6019/CHEMBL1201861]
NPT1901	Cell line	EM-2	Homo sapiens	IC50	=	44.8	nM	DOI[10.6019/CHEMBL1201861]
NPT1902	Cell line	ES1	Homo sapiens	IC50	=	3.778	nM	DOI[10.6019/CHEMBL1201861]
NPT1905	Cell line	ES4	Homo sapiens	IC50	=	146.14	nM	DOI[10.6019/CHEMBL1201861]
NPT1903	Cell line	ES5	Homo sapiens	IC50	=	4158.35	nM	DOI[10.6019/CHEMBL1201861]
NPT1904	Cell line	ES3	Homo sapiens	IC50	=	28.15	nM	DOI[10.6019/CHEMBL1201861]
NPT2270	Cell line	Detroit562	Homo sapiens	IC50	=	7.549	nM	DOI[10.6019/CHEMBL1201861]
NPT2271	Cell line	DoTc2-4510	Homo sapiens	IC50	=	3.593	nM	DOI[10.6019/CHEMBL1201861]
NPT1906	Cell line	EB-3	Homo sapiens	IC50	=	440.51	nM	DOI[10.6019/CHEMBL1201861]
NPT1907	Cell line	EB2	Homo sapiens	IC50	=	6.7	nM	DOI[10.6019/CHEMBL1201861]
NPT1908	Cell line	EC-GI-10	Homo sapiens	IC50	=	122.27	nM	DOI[10.6019/CHEMBL1201861]
NPT1909	Cell line	ECC12	Homo sapiens	IC50	=	0.509	nM	DOI[10.6019/CHEMBL1201861]
NPT1910	Cell line	ECC4	Homo sapiens	IC50	=	189.19	nM	DOI[10.6019/CHEMBL1201861]
NPT4602	Cell line	EFE-184	Homo sapiens	IC50	=	316.68	nM	DOI[10.6019/CHEMBL1201861]
NPT2272	Cell line	EFM-19	Homo sapiens	IC50	=	6.035	nM	DOI[10.6019/CHEMBL1201861]
NPT2273	Cell line	EFO-21	Homo sapiens	IC50	=	21.71	nM	DOI[10.6019/CHEMBL1201861]
NPT2274	Cell line	EFO-27	Homo sapiens	IC50	=	5.79	nM	DOI[10.6019/CHEMBL1201861]
NPT2275	Cell line	EGI-1	Homo sapiens	IC50	=	129.94	nM	DOI[10.6019/CHEMBL1201861]
NPT376	Cell line	A498	Homo sapiens	IC50	=	26.21	nM	DOI[10.6019/CHEMBL1201861]
NPT2276	Cell line	A673	Homo sapiens	IC50	=	7.268	nM	DOI[10.6019/CHEMBL1201861]
NPT2277	Cell line	C-33-A	Homo sapiens	IC50	=	7.314	nM	DOI[10.6019/CHEMBL1201861]
NPT4603	Cell line	C-4-II	Homo sapiens	IC50	=	23.01	nM	DOI[10.6019/CHEMBL1201861]
NPT2279	Cell line	COLO-792	Homo sapiens	IC50	=	220.44	nM	DOI[10.6019/CHEMBL1201861]
NPT1912	Cell line	COLO-800	Homo sapiens	IC50	=	16.95	nM	DOI[10.6019/CHEMBL1201861]
NPT1189	Cell line	DG-75	Homo sapiens	IC50	=	82.04	nM	DOI[10.6019/CHEMBL1201861]
NPT1913	Cell line	DJM-1	Homo sapiens	IC50	=	15.87	nM	DOI[10.6019/CHEMBL1201861]
NPT2280	Cell line	A704	Homo sapiens	IC50	=	5841.37	nM	DOI[10.6019/CHEMBL1201861]
NPT2281	Cell line	ABC-1	Homo sapiens	IC50	=	3.024	nM	DOI[10.6019/CHEMBL1201861]
NPT1911	Cell line	C2BBe1	Homo sapiens	IC50	=	101.83	nM	DOI[10.6019/CHEMBL1201861]
NPT2282	Cell line	C32	Homo sapiens	IC50	=	1118.24	nM	DOI[10.6019/CHEMBL1201861]
NPT2284	Cell line	C3A	Homo sapiens	IC50	=	209.59	nM	DOI[10.6019/CHEMBL1201861]
NPT1914	Cell line	COLO-824	Homo sapiens	IC50	=	47.24	nM	DOI[10.6019/CHEMBL1201861]
NPT2283	Cell line	DK-MG	Homo sapiens	IC50	=	6445.16	nM	DOI[10.6019/CHEMBL1201861]
NPT576	Cell line	DMS-114	Homo sapiens	IC50	=	401.02	nM	DOI[10.6019/CHEMBL1201861]
NPT369	Cell line	ACHN	Homo sapiens	IC50	=	45.77	nM	DOI[10.6019/CHEMBL1201861]
NPT1916	Cell line	ACN	Homo sapiens	IC50	=	1.329	nM	DOI[10.6019/CHEMBL1201861]
NPT1452	Cell line	C8166	Homo sapiens	IC50	=	17.56	nM	DOI[10.6019/CHEMBL1201861]
NPT1915	Cell line	COLO-829	Homo sapiens	IC50	=	0.1051	nM	DOI[10.6019/CHEMBL1201861]
NPT2285	Cell line	COR-L105	Homo sapiens	IC50	=	30.94	nM	DOI[10.6019/CHEMBL1201861]
NPT2287	Cell line	COR-L23	Homo sapiens	IC50	=	9.886	nM	DOI[10.6019/CHEMBL1201861]
NPT1918	Cell line	DMS-79	Homo sapiens	IC50	=	537.81	nM	DOI[10.6019/CHEMBL1201861]
NPT1919	Cell line	DOHH-2	Homo sapiens	IC50	=	5.039	nM	DOI[10.6019/CHEMBL1201861]
NPT196	Cell line	AGS	Homo sapiens	IC50	=	6.462	nM	DOI[10.6019/CHEMBL1201861]
NPT1920	Cell line	ALL-PO	Homo sapiens	IC50	=	3.359	nM	DOI[10.6019/CHEMBL1201861]
NPT1917	Cell line	CA46	Homo sapiens	IC50	=	22.17	nM	DOI[10.6019/CHEMBL1201861]
NPT308	Cell line	CAKI-1	Homo sapiens	IC50	=	1271.28	nM	DOI[10.6019/CHEMBL1201861]
NPT2286	Cell line	CAL-120	Homo sapiens	IC50	=	43.57	nM	DOI[10.6019/CHEMBL1201861]
NPT2289	Cell line	CAL-12T	Homo sapiens	IC50	=	20.76	nM	DOI[10.6019/CHEMBL1201861]
NPT1921	Cell line	COR-L279	Homo sapiens	IC50	=	118.61	nM	DOI[10.6019/CHEMBL1201861]
NPT1922	Cell line	COR-L88	Homo sapiens	IC50	=	34.82	nM	DOI[10.6019/CHEMBL1201861]
NPT1923	Cell line	DMS-153	Homo sapiens	IC50	=	350.24	nM	DOI[10.6019/CHEMBL1201861]
NPT572	Cell line	DMS-273	Homo sapiens	IC50	=	2.707	nM	DOI[10.6019/CHEMBL1201861]
NPT4604	Cell line	DMS-53	Homo sapiens	IC50	=	916.44	nM	DOI[10.6019/CHEMBL1201861]
NPT1924	Cell line	AM-38	Homo sapiens	IC50	=	33.55	nM	DOI[10.6019/CHEMBL1201861]
NPT2288	Cell line	AN3-CA	Homo sapiens	IC50	=	6.269	nM	DOI[10.6019/CHEMBL1201861]
NPT1925	Cell line	CAL-148	Homo sapiens	IC50	=	15.4	nM	DOI[10.6019/CHEMBL1201861]
NPT2290	Cell line	CAL-27	Homo sapiens	IC50	=	32.04	nM	DOI[10.6019/CHEMBL1201861]
NPT2291	Cell line	CP50-MEL-B	Homo sapiens	IC50	=	43.44	nM	DOI[10.6019/CHEMBL1201861]
NPT1926	Cell line	CP66-MEL	Homo sapiens	IC50	=	45.08	nM	DOI[10.6019/CHEMBL1201861]
NPT1629	Cell line	CWR22R	Homo sapiens	IC50	=	8.787	nM	DOI[10.6019/CHEMBL1201861]
NPT1927	Cell line	ARH-77	Homo sapiens	IC50	=	17.76	nM	DOI[10.6019/CHEMBL1201861]
NPT1928	Cell line	ATN-1	Homo sapiens	IC50	=	1.943	nM	DOI[10.6019/CHEMBL1201861]
NPT2296	Cell line	AU565	Homo sapiens	IC50	=	8.185	nM	DOI[10.6019/CHEMBL1201861]
NPT2292	Cell line	CAL-33	Homo sapiens	IC50	=	5.021	nM	DOI[10.6019/CHEMBL1201861]
NPT2293	Cell line	CAL-39	Homo sapiens	IC50	=	4.258	nM	DOI[10.6019/CHEMBL1201861]
NPT2299	Cell line	CAL-51	Homo sapiens	IC50	=	8.613	nM	DOI[10.6019/CHEMBL1201861]
NPT1929	Cell line	CPC-N	Homo sapiens	IC50	=	318.76	nM	DOI[10.6019/CHEMBL1201861]
NPT1930	Cell line	CTB-1	Homo sapiens	IC50	=	19.8	nM	DOI[10.6019/CHEMBL1201861]
NPT2294	Cell line	23132-87	Homo sapiens	IC50	=	6.945	nM	DOI[10.6019/CHEMBL1201861]
NPT2295	Cell line	5637	Homo sapiens	IC50	=	7.552	nM	DOI[10.6019/CHEMBL1201861]
NPT2302	Cell line	639-V	Homo sapiens	IC50	=	6.609	nM	DOI[10.6019/CHEMBL1201861]
NPT2297	Cell line	ASPC1	Homo sapiens	IC50	=	1360.38	nM	DOI[10.6019/CHEMBL1201861]
NPT2300	Cell line	CAL-54	Homo sapiens	IC50	=	126.13	nM	DOI[10.6019/CHEMBL1201861]
NPT2301	Cell line	CAL-62	Homo sapiens	IC50	=	8.183	nM	DOI[10.6019/CHEMBL1201861]
NPT1932	Cell line	CTV-1	Homo sapiens	IC50	=	5.011	nM	DOI[10.6019/CHEMBL1201861]
NPT1933	Cell line	CW-2	Homo sapiens	IC50	=	9324.94	nM	DOI[10.6019/CHEMBL1201861]
NPT2303	Cell line	647-V	Homo sapiens	IC50	=	20.89	nM	DOI[10.6019/CHEMBL1201861]
NPT1094	Cell line	697	Homo sapiens	IC50	=	4.228	nM	DOI[10.6019/CHEMBL1201861]
NPT1931	Cell line	BB30-HNC	Homo sapiens	IC50	=	0.3988	nM	DOI[10.6019/CHEMBL1201861]
NPT1934	Cell line	BB49-HNC	Homo sapiens	IC50	=	209.72	nM	DOI[10.6019/CHEMBL1201861]
NPT2304	Cell line	CAL-72	Homo sapiens	IC50	=	618.25	nM	DOI[10.6019/CHEMBL1201861]
NPT2305	Cell line	CAL-85-1	Homo sapiens	IC50	=	4.904	nM	DOI[10.6019/CHEMBL1201861]
NPT2306	Cell line	Ca-Ski	Homo sapiens	IC50	=	19.12	nM	DOI[10.6019/CHEMBL1201861]
NPT1031	Cell line	Ca9-22	Homo sapiens	IC50	=	10.27	nM	DOI[10.6019/CHEMBL1201861]
NPT2310	Cell line	CaR-1	Homo sapiens	IC50	=	59.07	nM	DOI[10.6019/CHEMBL1201861]
NPT2307	Cell line	769-P	Homo sapiens	IC50	=	16.92	nM	DOI[10.6019/CHEMBL1201861]
NPT401	Cell line	786-0	Homo sapiens	IC50	=	2.992	nM	DOI[10.6019/CHEMBL1201861]
NPT1935	Cell line	BB65-RCC	Homo sapiens	IC50	=	61.84	nM	DOI[10.6019/CHEMBL1201861]
NPT929	Cell line	BC1 cell line	n.a.	IC50	=	9.391	nM	DOI[10.6019/CHEMBL1201861]
NPT2308	Cell line	CAMA-1	Homo sapiens	IC50	=	45.57	nM	DOI[10.6019/CHEMBL1201861]
NPT2309	Cell line	CAPAN-1	Homo sapiens	IC50	=	14.18	nM	DOI[10.6019/CHEMBL1201861]
NPT1937	Cell line	CAS-1	Homo sapiens	IC50	=	40.06	nM	DOI[10.6019/CHEMBL1201861]
NPT1307	Cell line	Calu-1	Homo sapiens	IC50	=	516.39	nM	DOI[10.6019/CHEMBL1201861]
NPT2311	Cell line	Calu-3	Homo sapiens	IC50	=	18.0	nM	DOI[10.6019/CHEMBL1201861]
NPT1939	Cell line	8-MG-BA	Homo sapiens	IC50	=	3.375	nM	DOI[10.6019/CHEMBL1201861]
NPT2312	Cell line	8305C	Homo sapiens	IC50	=	4.919	nM	DOI[10.6019/CHEMBL1201861]
NPT1936	Cell line	BC-3	Homo sapiens	IC50	=	31.12	nM	DOI[10.6019/CHEMBL1201861]
NPT2313	Cell line	BCPAP	Homo sapiens	IC50	=	2.978	nM	DOI[10.6019/CHEMBL1201861]
NPT1940	Cell line	BE-13	Homo sapiens	IC50	=	12.37	nM	DOI[10.6019/CHEMBL1201861]
NPT4605	Cell line	CCF-STTG1	Homo sapiens	IC50	=	8.373	nM	DOI[10.6019/CHEMBL1201861]
NPT404	Cell line	CCRF-CEM	Homo sapiens	IC50	=	4.555	nM	DOI[10.6019/CHEMBL1201861]
NPT1938	Cell line	Calu-6	Homo sapiens	IC50	=	5.701	nM	DOI[10.6019/CHEMBL1201861]
NPT4458	Cell line	Caov-3 cell line	n.a.	IC50	=	71.6	nM	DOI[10.6019/CHEMBL1201861]
NPT5419	Cell line	Caov-4	Homo sapiens	IC50	=	1222.45	nM	DOI[10.6019/CHEMBL1201861]
NPT1313	Cell line	Capan-2	Homo sapiens	IC50	=	30.45	nM	DOI[10.6019/CHEMBL1201861]
NPT1215	Cell line	8505C	Homo sapiens	IC50	=	4.419	nM	DOI[10.6019/CHEMBL1201861]
NPT1941	Cell line	A101D	Homo sapiens	IC50	=	8.674	nM	DOI[10.6019/CHEMBL1201861]
NPT2314	Cell line	BEN	Homo sapiens	IC50	=	58.11	nM	DOI[10.6019/CHEMBL1201861]
NPT2315	Cell line	BFTC-905	Homo sapiens	IC50	=	3.622	nM	DOI[10.6019/CHEMBL1201861]
NPT1942	Cell line	CESS	Homo sapiens	IC50	=	5.043	nM	DOI[10.6019/CHEMBL1201861]
NPT1943	Cell line	CGTH-W-1	Homo sapiens	IC50	=	0.2316	nM	DOI[10.6019/CHEMBL1201861]
NPT2317	Cell line	ChaGo-K-1	Homo sapiens	IC50	=	6.686	nM	DOI[10.6019/CHEMBL1201861]
NPT1944	Cell line	D-247MG	Homo sapiens	IC50	=	12.6	nM	DOI[10.6019/CHEMBL1201861]
NPT2318	Cell line	A172	Homo sapiens	IC50	=	13.92	nM	DOI[10.6019/CHEMBL1201861]
NPT2319	Cell line	A204	Homo sapiens	IC50	=	3.208	nM	DOI[10.6019/CHEMBL1201861]
NPT1383	Cell line	A2058	Homo sapiens	IC50	=	3.503	nM	DOI[10.6019/CHEMBL1201861]
NPT2320	Cell line	BFTC-909	Homo sapiens	IC50	=	10.78	nM	DOI[10.6019/CHEMBL1201861]
NPT2321	Cell line	BHT-101	Homo sapiens	IC50	=	513.11	nM	DOI[10.6019/CHEMBL1201861]
NPT2323	Cell line	BHY	Homo sapiens	IC50	=	9.946	nM	DOI[10.6019/CHEMBL1201861]
NPT2322	Cell line	CHL-1	Homo sapiens	IC50	=	4.595	nM	DOI[10.6019/CHEMBL1201861]
NPT1945	Cell line	CHP-126	Homo sapiens	IC50	=	96.79	nM	DOI[10.6019/CHEMBL1201861]
NPT1946	Cell line	D-263MG	Homo sapiens	IC50	=	505.51	nM	DOI[10.6019/CHEMBL1201861]
NPT1947	Cell line	D283 Med	n.a.	IC50	=	642.84	nM	DOI[10.6019/CHEMBL1201861]
NPT1948	Cell line	A253 cell line	n.a.	IC50	=	1.223	nM	DOI[10.6019/CHEMBL1201861]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	6.382	nM	DOI[10.6019/CHEMBL1201861]
NPT1949	Cell line	BL-41	Homo sapiens	IC50	=	5.28	nM	DOI[10.6019/CHEMBL1201861]
NPT1950	Cell line	BL-70	Homo sapiens	IC50	=	3.164	nM	DOI[10.6019/CHEMBL1201861]
NPT2324	Cell line	CHP-212	Homo sapiens	IC50	=	24.59	nM	DOI[10.6019/CHEMBL1201861]
NPT1951	Cell line	CMK	Homo sapiens	IC50	=	13.72	nM	DOI[10.6019/CHEMBL1201861]
NPT407	Cell line	COLO 205	Homo sapiens	IC50	=	1.368	nM	DOI[10.6019/CHEMBL1201861]
NPT1953	Cell line	D-336MG	Homo sapiens	IC50	=	63.89	nM	DOI[10.6019/CHEMBL1201861]
NPT1954	Cell line	D-392MG	Homo sapiens	IC50	=	65.93	nM	DOI[10.6019/CHEMBL1201861]
NPT1955	Cell line	A3-KAW	Homo sapiens	IC50	=	21.57	nM	DOI[10.6019/CHEMBL1201861]
NPT1083	Cell line	A-375	Homo sapiens	IC50	=	38.21	nM	DOI[10.6019/CHEMBL1201861]
NPT4606	Cell line	BOKU	Homo sapiens	IC50	=	195.22	nM	DOI[10.6019/CHEMBL1201861]
NPT2325	Cell line	BPH-1	Homo sapiens	IC50	=	1.899	nM	DOI[10.6019/CHEMBL1201861]
NPT2326	Cell line	BT-20	Homo sapiens	IC50	=	12.36	nM	DOI[10.6019/CHEMBL1201861]
NPT1952	Cell line	COLO-320-HSR	Homo sapiens	IC50	=	521.65	nM	DOI[10.6019/CHEMBL1201861]
NPT1956	Cell line	COLO-668	Homo sapiens	IC50	=	28.5	nM	DOI[10.6019/CHEMBL1201861]
NPT1957	Cell line	D-502MG	Homo sapiens	IC50	=	82.63	nM	DOI[10.6019/CHEMBL1201861]
NPT1958	Cell line	A388	Homo sapiens	IC50	=	6.067	nM	DOI[10.6019/CHEMBL1201861]
NPT1959	Cell line	A4-Fuk	Homo sapiens	IC50	=	4.035	nM	DOI[10.6019/CHEMBL1201861]
NPT845	Cell line	BT-474	Homo sapiens	IC50	=	28.48	nM	DOI[10.6019/CHEMBL1201861]
NPT2328	Cell line	COLO-678	Homo sapiens	IC50	=	189.05	nM	DOI[10.6019/CHEMBL1201861]
NPT2329	Cell line	COLO-679	Homo sapiens	IC50	=	1.832	nM	DOI[10.6019/CHEMBL1201861]
NPT2332	Cell line	COLO-680N	Homo sapiens	IC50	=	53.31	nM	DOI[10.6019/CHEMBL1201861]
NPT1961	Cell line	D-542MG	Homo sapiens	IC50	=	83.31	nM	DOI[10.6019/CHEMBL1201861]
NPT1962	Cell line	DB	Homo sapiens	IC50	=	19.41	nM	DOI[10.6019/CHEMBL1201861]
NPT2331	Cell line	A-427	Homo sapiens	IC50	=	3.103	nM	DOI[10.6019/CHEMBL1201861]
NPT762	Cell line	A-431	Homo sapiens	IC50	=	2.897	nM	DOI[10.6019/CHEMBL1201861]
NPT1960	Cell line	BV-173	Homo sapiens	IC50	=	30.41	nM	DOI[10.6019/CHEMBL1201861]
NPT1963	Cell line	Becker	Homo sapiens	IC50	=	5.391	nM	DOI[10.6019/CHEMBL1201861]
NPT1081	Cell line	BXPC-3	Homo sapiens	IC50	=	3.901	nM	DOI[10.6019/CHEMBL1201861]
NPT1964	Cell line	COLO-684	Homo sapiens	IC50	=	13.66	nM	DOI[10.6019/CHEMBL1201861]
NPT2278	Cell line	COLO-741	Homo sapiens	IC50	=	35.69	nM	DOI[10.6019/CHEMBL1201861]
NPT2333	Cell line	DBTRG-05MG	Homo sapiens	IC50	=	3.885	nM	DOI[10.6019/CHEMBL1201861]
NPT1965	Cell line	DEL	Homo sapiens	IC50	=	3.63	nM	DOI[10.6019/CHEMBL1201861]
NPT1966	Cell line	NCI-H1838	Homo sapiens	IC50	=	12234.82	nM	DOI[10.6019/CHEMBL1201861]
NPT1967	Cell line	NCI-H526	Homo sapiens	IC50	=	8.675	nM	DOI[10.6019/CHEMBL1201861]
NPT2335	Cell line	NCI-H596	n.a.	IC50	=	659.34	nM	DOI[10.6019/CHEMBL1201861]
NPT2337	Cell line	OE33	Homo sapiens	IC50	=	20.43	nM	DOI[10.6019/CHEMBL1201861]
NPT1968	Cell line	OMC-1	Homo sapiens	IC50	=	1264.88	nM	DOI[10.6019/CHEMBL1201861]
NPT2200	Cell line	RPMI-6666	Homo sapiens	IC50	=	6.862	nM	DOI[10.6019/CHEMBL1201861]
NPT1091	Cell line	RPMI-7951	Homo sapiens	IC50	=	8.815	nM	DOI[10.6019/CHEMBL1201861]
NPT389	Cell line	RPMI-8226	Homo sapiens	IC50	=	17.03	nM	DOI[10.6019/CHEMBL1201861]
NPT926	Cell line	SK-MEL-1	Homo sapiens	IC50	=	1518.19	nM	DOI[10.6019/CHEMBL1201861]
NPT1312	Cell line	SW1990	Homo sapiens	IC50	=	73.19	nM	DOI[10.6019/CHEMBL1201861]
NPT2338	Cell line	SW48	Homo sapiens	IC50	=	5.8	nM	DOI[10.6019/CHEMBL1201861]
NPT323	Cell line	SW-620	Homo sapiens	IC50	=	8.523	nM	DOI[10.6019/CHEMBL1201861]
NPT1969	Cell line	TGW	Homo sapiens	IC50	=	78.9	nM	DOI[10.6019/CHEMBL1201861]
NPT1970	Cell line	THP-1	Homo sapiens	IC50	=	124.95	nM	DOI[10.6019/CHEMBL1201861]
NPT1971	Cell line	GI-1	Homo sapiens	IC50	=	3.536	nM	DOI[10.6019/CHEMBL1201861]
NPT1972	Cell line	GI-ME-N	Homo sapiens	IC50	=	5.755	nM	DOI[10.6019/CHEMBL1201861]
NPT2204	Cell line	HH	Homo sapiens	IC50	=	8.879	nM	DOI[10.6019/CHEMBL1201861]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	106.36	nM	DOI[10.6019/CHEMBL1201861]
NPT2348	Cell line	HLE	Homo sapiens	IC50	=	10.21	nM	DOI[10.6019/CHEMBL1201861]
NPT1973	Cell line	IST-SL1	Homo sapiens	IC50	=	39.32	nM	DOI[10.6019/CHEMBL1201861]
NPT1974	Cell line	IST-SL2	Homo sapiens	IC50	=	17.14	nM	DOI[10.6019/CHEMBL1201861]
NPT1975	Cell line	KS-1	Homo sapiens	IC50	=	1.466	nM	DOI[10.6019/CHEMBL1201861]
NPT2340	Cell line	KU-19-19	Homo sapiens	IC50	=	1115.05	nM	DOI[10.6019/CHEMBL1201861]
NPT1976	Cell line	LNCaP-Clone-FGC	Homo sapiens	IC50	=	17.93	nM	DOI[10.6019/CHEMBL1201861]
NPT1977	Cell line	LOUCY	Homo sapiens	IC50	=	9.689	nM	DOI[10.6019/CHEMBL1201861]
NPT2209	Cell line	MFH-ino	Homo sapiens	IC50	=	5.596	nM	DOI[10.6019/CHEMBL1201861]
NPT1978	Cell line	MFM-223	Homo sapiens	IC50	=	4209.08	nM	DOI[10.6019/CHEMBL1201861]
NPT1979	Cell line	NB13	Homo sapiens	IC50	=	5.014	nM	DOI[10.6019/CHEMBL1201861]
NPT639	Cell line	NCI-H187	Homo sapiens	IC50	=	14.02	nM	DOI[10.6019/CHEMBL1201861]
NPT1981	Cell line	NCI-H1882	Homo sapiens	IC50	=	36.54	nM	DOI[10.6019/CHEMBL1201861]
NPT1982	Cell line	NCI-H1963	Homo sapiens	IC50	=	30.32	nM	DOI[10.6019/CHEMBL1201861]
NPT2353	Cell line	NCI-H1993	Homo sapiens	IC50	=	740.88	nM	DOI[10.6019/CHEMBL1201861]
NPT2342	Cell line	NCI-H630	Homo sapiens	IC50	=	45.51	nM	DOI[10.6019/CHEMBL1201861]
NPT1983	Cell line	NCI-H64	Homo sapiens	IC50	=	7.273	nM	DOI[10.6019/CHEMBL1201861]
NPT2343	Cell line	NCI-H650	Homo sapiens	IC50	=	16.08	nM	DOI[10.6019/CHEMBL1201861]
NPT1984	Cell line	ONS-76	Homo sapiens	IC50	=	3.3	nM	DOI[10.6019/CHEMBL1201861]
NPT1986	Cell line	RPMI 8402	Homo sapiens	IC50	=	12.3	nM	DOI[10.6019/CHEMBL1201861]
NPT1987	Cell line	RPMI-8866	Homo sapiens	IC50	=	6.997	nM	DOI[10.6019/CHEMBL1201861]
NPT147	Cell line	SK-MEL-2	Homo sapiens	IC50	=	7.183	nM	DOI[10.6019/CHEMBL1201861]
NPT2344	Cell line	SK-MEL-24	Homo sapiens	IC50	=	1767.1	nM	DOI[10.6019/CHEMBL1201861]
NPT170	Cell line	SK-MEL-28	Homo sapiens	IC50	=	615.39	nM	DOI[10.6019/CHEMBL1201861]
NPT2345	Cell line	SW626	Homo sapiens	IC50	=	37.67	nM	DOI[10.6019/CHEMBL1201861]
NPT1988	Cell line	SW684	Homo sapiens	IC50	=	24.16	nM	DOI[10.6019/CHEMBL1201861]
NPT384	Cell line	TK-10	Homo sapiens	IC50	=	116.25	nM	DOI[10.6019/CHEMBL1201861]
NPT4607	Cell line	TT	Homo sapiens	IC50	=	2270.99	nM	DOI[10.6019/CHEMBL1201861]
NPT2347	Cell line	GMS-10	Homo sapiens	IC50	=	128.9	nM	DOI[10.6019/CHEMBL1201861]
NPT1989	Cell line	GOTO	Homo sapiens	IC50	=	70.54	nM	DOI[10.6019/CHEMBL1201861]
NPT2349	Cell line	HMV-2 cell line	n.a.	IC50	=	4.768	nM	DOI[10.6019/CHEMBL1201861]
NPT2350	Cell line	HN	Homo sapiens	IC50	=	1434.13	nM	DOI[10.6019/CHEMBL1201861]
NPT1990	Cell line	J-RT3-T3-5	Homo sapiens	IC50	=	6.831	nM	DOI[10.6019/CHEMBL1201861]
NPT1505	Cell line	J82	Homo sapiens	IC50	=	97.79	nM	DOI[10.6019/CHEMBL1201861]
NPT1991	Cell line	KU812 cell line	n.a.	IC50	=	9.301	nM	DOI[10.6019/CHEMBL1201861]
NPT1992	Cell line	KURAMOCHI	Homo sapiens	IC50	=	2.814	nM	DOI[10.6019/CHEMBL1201861]
NPT390	Cell line	LOX IMVI	Homo sapiens	IC50	=	69.03	nM	DOI[10.6019/CHEMBL1201861]
NPT1993	Cell line	LP-1	Homo sapiens	IC50	=	311.32	nM	DOI[10.6019/CHEMBL1201861]
NPT2351	Cell line	MG-63	Homo sapiens	IC50	=	2.938	nM	DOI[10.6019/CHEMBL1201861]
NPT1994	Cell line	MHH-CALL-2	Homo sapiens	IC50	=	241.93	nM	DOI[10.6019/CHEMBL1201861]
NPT2352	Cell line	MHH-ES-1	Homo sapiens	IC50	=	3.894	nM	DOI[10.6019/CHEMBL1201861]
NPT1996	Cell line	NB5	Homo sapiens	IC50	=	75.34	nM	DOI[10.6019/CHEMBL1201861]
NPT2354	Cell line	NCI-H2009	Homo sapiens	IC50	=	8.458	nM	DOI[10.6019/CHEMBL1201861]
NPT2368	Cell line	NCI-H2030	Homo sapiens	IC50	=	3.618	nM	DOI[10.6019/CHEMBL1201861]
NPT2356	Cell line	NCI-H661	Homo sapiens	IC50	=	20.35	nM	DOI[10.6019/CHEMBL1201861]
NPT1396	Cell line	NCI-H69	Homo sapiens	IC50	=	6.345	nM	DOI[10.6019/CHEMBL1201861]
NPT1985	Cell line	OPM-2	Homo sapiens	IC50	=	6.273	nM	DOI[10.6019/CHEMBL1201861]
NPT1997	Cell line	OS-RC-2	Homo sapiens	IC50	=	34.34	nM	DOI[10.6019/CHEMBL1201861]
NPT377	Cell line	OVCAR-3	Homo sapiens	IC50	=	6.21	nM	DOI[10.6019/CHEMBL1201861]
NPT1998	Cell line	RS4-11	Homo sapiens	IC50	=	7.99	nM	DOI[10.6019/CHEMBL1201861]
NPT2357	Cell line	RT-112	Homo sapiens	IC50	=	3.371	nM	DOI[10.6019/CHEMBL1201861]
NPT2358	Cell line	SK-MEL3	Homo sapiens	IC50	=	17.33	nM	DOI[10.6019/CHEMBL1201861]
NPT2359	Cell line	SK-MEL-30	Homo sapiens	IC50	=	12.41	nM	DOI[10.6019/CHEMBL1201861]
NPT2360	Cell line	SW756	Homo sapiens	IC50	=	148.38	nM	DOI[10.6019/CHEMBL1201861]
NPT2361	Cell line	SW780	Homo sapiens	IC50	=	14.87	nM	DOI[10.6019/CHEMBL1201861]
NPT1999	Cell line	TUR	Homo sapiens	IC50	=	7.198	nM	DOI[10.6019/CHEMBL1201861]
NPT2362	Cell line	TYK-nu	Homo sapiens	IC50	=	111.09	nM	DOI[10.6019/CHEMBL1201861]
NPT2363	Cell line	U-118-MG	Homo sapiens	IC50	=	120.52	nM	DOI[10.6019/CHEMBL1201861]
NPT2364	Cell line	GP5d	Homo sapiens	IC50	=	7.841	nM	DOI[10.6019/CHEMBL1201861]
NPT2000	Cell line	GR-ST	Homo sapiens	IC50	=	8.272	nM	DOI[10.6019/CHEMBL1201861]
NPT2365	Cell line	HO-1-N-1	Homo sapiens	IC50	=	6.652	nM	DOI[10.6019/CHEMBL1201861]
NPT379	Cell line	HOP-62	Homo sapiens	IC50	=	1.927	nM	DOI[10.6019/CHEMBL1201861]
NPT2001	Cell line	JAR	Homo sapiens	IC50	=	94.2	nM	DOI[10.6019/CHEMBL1201861]
NPT2366	Cell line	JEG-3	Homo sapiens	IC50	=	14.07	nM	DOI[10.6019/CHEMBL1201861]
NPT2002	Cell line	KY821	Homo sapiens	IC50	=	472.76	nM	DOI[10.6019/CHEMBL1201861]
NPT2367	Cell line	KYSE-140	Homo sapiens	IC50	=	23.84	nM	DOI[10.6019/CHEMBL1201861]
NPT2003	Cell line	LS-1034	Homo sapiens	IC50	=	216.18	nM	DOI[10.6019/CHEMBL1201861]
NPT2004	Cell line	LS-123	Homo sapiens	IC50	=	2337.53	nM	DOI[10.6019/CHEMBL1201861]
NPT2005	Cell line	MHH-NB-11	Homo sapiens	IC50	=	17.65	nM	DOI[10.6019/CHEMBL1201861]
NPT2006	Cell line	MHH-PREB-1	Homo sapiens	IC50	=	6.884	nM	DOI[10.6019/CHEMBL1201861]
NPT2007	Cell line	NB6	Homo sapiens	IC50	=	125.68	nM	DOI[10.6019/CHEMBL1201861]
NPT2369	Cell line	NCI-H2052	Homo sapiens	IC50	=	60.98	nM	DOI[10.6019/CHEMBL1201861]
NPT2009	Cell line	NCI-H2081	Homo sapiens	IC50	=	33.62	nM	DOI[10.6019/CHEMBL1201861]
NPT2010	Cell line	NCI-H716	Homo sapiens	IC50	=	4378.89	nM	DOI[10.6019/CHEMBL1201861]
NPT2011	Cell line	NCI-H719	Homo sapiens	IC50	=	5903.33	nM	DOI[10.6019/CHEMBL1201861]
NPT2012	Cell line	NCI-H720	Homo sapiens	IC50	=	10954.16	nM	DOI[10.6019/CHEMBL1201861]
NPT456	Cell line	OVCAR-4	Homo sapiens	IC50	=	1.745	nM	DOI[10.6019/CHEMBL1201861]
NPT382	Cell line	OVCAR-5	Homo sapiens	IC50	=	110.16	nM	DOI[10.6019/CHEMBL1201861]
NPT4608	Cell line	RT-4	Homo sapiens	IC50	=	330.62	nM	DOI[10.6019/CHEMBL1201861]
NPT2370	Cell line	RVH-421	Homo sapiens	IC50	=	3.881	nM	DOI[10.6019/CHEMBL1201861]
NPT406	Cell line	RXF 393	Homo sapiens	IC50	=	5.065	nM	DOI[10.6019/CHEMBL1201861]
NPT1506	Cell line	SK-MES-1	Homo sapiens	IC50	=	5.725	nM	DOI[10.6019/CHEMBL1201861]
NPT2013	Cell line	SK-MM-2	Homo sapiens	IC50	=	1349.22	nM	DOI[10.6019/CHEMBL1201861]
NPT2380	Cell line	SK-N-AS	Homo sapiens	IC50	=	867.56	nM	DOI[10.6019/CHEMBL1201861]
NPT2371	Cell line	SW837	Homo sapiens	IC50	=	379.65	nM	DOI[10.6019/CHEMBL1201861]
NPT2014	Cell line	SW872	Homo sapiens	IC50	=	5.65	nM	DOI[10.6019/CHEMBL1201861]
NPT1045	Cell line	U2OS	Homo sapiens	IC50	=	6302.68	nM	DOI[10.6019/CHEMBL1201861]
NPT2015	Cell line	U-266	Homo sapiens	IC50	=	17.47	nM	DOI[10.6019/CHEMBL1201861]
NPT2016	Cell line	ES6	Homo sapiens	IC50	=	42.4	nM	DOI[10.6019/CHEMBL1201861]
NPT2017	Cell line	ES7	Homo sapiens	IC50	=	3.856	nM	DOI[10.6019/CHEMBL1201861]
NPT2018	Cell line	GT3TKB	Homo sapiens	IC50	=	0.7477	nM	DOI[10.6019/CHEMBL1201861]
NPT372	Cell line	HOP-92	Homo sapiens	IC50	=	51.3	nM	DOI[10.6019/CHEMBL1201861]
NPT307	Cell line	HOS	Homo sapiens	IC50	=	3.218	nM	DOI[10.6019/CHEMBL1201861]
NPT2384	Cell line	HPAF-II	Homo sapiens	IC50	=	16.62	nM	DOI[10.6019/CHEMBL1201861]
NPT2019	Cell line	JVM-2	Homo sapiens	IC50	=	8397.79	nM	DOI[10.6019/CHEMBL1201861]
NPT2020	Cell line	JVM-3	Homo sapiens	IC50	=	292.06	nM	DOI[10.6019/CHEMBL1201861]
NPT2373	Cell line	KYSE-150 cell line	n.a.	IC50	=	3.039	nM	DOI[10.6019/CHEMBL1201861]
NPT2374	Cell line	KYSE-180	Homo sapiens	IC50	=	7.134	nM	DOI[10.6019/CHEMBL1201861]
NPT2021	Cell line	LS-411N	Homo sapiens	IC50	=	3.171	nM	DOI[10.6019/CHEMBL1201861]
NPT2022	Cell line	LS-513	Homo sapiens	IC50	=	482.88	nM	DOI[10.6019/CHEMBL1201861]
NPT783	Cell line	MIA PaCa-2	Homo sapiens	IC50	=	5.828	nM	DOI[10.6019/CHEMBL1201861]
NPT2375	Cell line	MKN-1	Homo sapiens	IC50	=	11.77	nM	DOI[10.6019/CHEMBL1201861]
NPT2008	Cell line	NB69	Homo sapiens	IC50	=	45.53	nM	DOI[10.6019/CHEMBL1201861]
NPT2377	Cell line	NCI-H2087	Homo sapiens	IC50	=	8.218	nM	DOI[10.6019/CHEMBL1201861]
NPT2024	Cell line	NCI-H209	Homo sapiens	IC50	=	50.8	nM	DOI[10.6019/CHEMBL1201861]
NPT2378	Cell line	NCI-H727	Homo sapiens	IC50	=	224.54	nM	DOI[10.6019/CHEMBL1201861]
NPT2025	Cell line	NCI-H747	Homo sapiens	IC50	=	67.19	nM	DOI[10.6019/CHEMBL1201861]
NPT381	Cell line	OVCAR-8	Homo sapiens	IC50	=	6.601	nM	DOI[10.6019/CHEMBL1201861]
NPT2379	Cell line	P12-Ichikawa	Homo sapiens	IC50	=	25.15	nM	DOI[10.6019/CHEMBL1201861]
NPT80	Cell line	Raji	Homo sapiens	IC50	=	81.64	nM	DOI[10.6019/CHEMBL1201861]
NPT2026	Cell line	Ramos-2G6-4C10	Homo sapiens	IC50	=	4.452	nM	DOI[10.6019/CHEMBL1201861]
NPT2027	Cell line	SK-N-DZ	Homo sapiens	IC50	=	249.04	nM	DOI[10.6019/CHEMBL1201861]
NPT2382	Cell line	SW948	Homo sapiens	IC50	=	19.85	nM	DOI[10.6019/CHEMBL1201861]
NPT2029	Cell line	SW 954	Homo sapiens	IC50	=	5.983	nM	DOI[10.6019/CHEMBL1201861]
NPT2030	Cell line	U-698-M	Homo sapiens	IC50	=	12.17	nM	DOI[10.6019/CHEMBL1201861]
NPT1535	Cell line	U-87 MG	Homo sapiens	IC50	=	27.09	nM	DOI[10.6019/CHEMBL1201861]
NPT2031	Cell line	ES8	Homo sapiens	IC50	=	2.719	nM	DOI[10.6019/CHEMBL1201861]
NPT2383	Cell line	ESS-1	Homo sapiens	IC50	=	9.136	nM	DOI[10.6019/CHEMBL1201861]
NPT2891	Cell line	H4	Homo sapiens	IC50	=	7.851	nM	DOI[10.6019/CHEMBL1201861]
NPT2032	Cell line	HAL-01	Homo sapiens	IC50	=	3941.37	nM	DOI[10.6019/CHEMBL1201861]
NPT924	Cell line	HSC-2	Homo sapiens	IC50	=	2.25	nM	DOI[10.6019/CHEMBL1201861]
NPT2385	Cell line	HSC-3	Homo sapiens	IC50	=	5.619	nM	DOI[10.6019/CHEMBL1201861]
NPT2033	Cell line	JIYOYE	Homo sapiens	IC50	=	10.73	nM	DOI[10.6019/CHEMBL1201861]
NPT111	Cell line	K562	Homo sapiens	IC50	=	3299.43	nM	DOI[10.6019/CHEMBL1201861]
NPT2386	Cell line	KYSE-270	Homo sapiens	IC50	=	3.156	nM	DOI[10.6019/CHEMBL1201861]
NPT2387	Cell line	KYSE-410	Homo sapiens	IC50	=	6.213	nM	DOI[10.6019/CHEMBL1201861]
NPT2395	Cell line	KYSE-450	Homo sapiens	IC50	=	9.741	nM	DOI[10.6019/CHEMBL1201861]
NPT2034	Cell line	LU-134-A	Homo sapiens	IC50	=	47.22	nM	DOI[10.6019/CHEMBL1201861]
NPT1179	Cell line	MKN-28	Homo sapiens	IC50	=	4.771	nM	DOI[10.6019/CHEMBL1201861]
NPT1097	Cell line	MKN-45	Homo sapiens	IC50	=	2.287	nM	DOI[10.6019/CHEMBL1201861]
NPT2398	Cell line	MKN-7	Homo sapiens	IC50	=	258.38	nM	DOI[10.6019/CHEMBL1201861]
NPT2035	Cell line	NCCIT	Homo sapiens	IC50	=	5.419	nM	DOI[10.6019/CHEMBL1201861]
NPT2036	Cell line	NCI-H1092	Homo sapiens	IC50	=	58.07	nM	DOI[10.6019/CHEMBL1201861]
NPT2390	Cell line	NCI-H2122	Homo sapiens	IC50	=	2.588	nM	DOI[10.6019/CHEMBL1201861]
NPT1082	Cell line	NCI-H2126	Homo sapiens	IC50	=	29.32	nM	DOI[10.6019/CHEMBL1201861]
NPT2038	Cell line	NCI-H748	Homo sapiens	IC50	=	56.95	nM	DOI[10.6019/CHEMBL1201861]
NPT2391	Cell line	NCI-H810	Homo sapiens	IC50	=	3.908	nM	DOI[10.6019/CHEMBL1201861]
NPT2040	Cell line	P30-OHK	Homo sapiens	IC50	=	10.1	nM	DOI[10.6019/CHEMBL1201861]
NPT2041	Cell line	P31-FUJ	Homo sapiens	IC50	=	11385.78	nM	DOI[10.6019/CHEMBL1201861]
NPT2400	Cell line	PA-1	Homo sapiens	IC50	=	3.123	nM	DOI[10.6019/CHEMBL1201861]
NPT2392	Cell line	S-117	Homo sapiens	IC50	=	368.22	nM	DOI[10.6019/CHEMBL1201861]
NPT2393	Cell line	SAS	Homo sapiens	IC50	=	4391.25	nM	DOI[10.6019/CHEMBL1201861]
NPT2028	Cell line	SK-N-FI	Homo sapiens	IC50	=	3727.76	nM	DOI[10.6019/CHEMBL1201861]
NPT2043	Cell line	SK-NEP-1	Homo sapiens	IC50	=	8.99	nM	DOI[10.6019/CHEMBL1201861]
NPT2044	Cell line	SW 962	Homo sapiens	IC50	=	27.83	nM	DOI[10.6019/CHEMBL1201861]
NPT371	Cell line	UO-31	Homo sapiens	IC50	=	1557.75	nM	DOI[10.6019/CHEMBL1201861]
NPT380	Cell line	U-251	Homo sapiens	IC50	=	6.887	nM	DOI[10.6019/CHEMBL1201861]
NPT2045	Cell line	ETK-1	Homo sapiens	IC50	=	6.921	nM	DOI[10.6019/CHEMBL1201861]
NPT2047	Cell line	HC-1	Homo sapiens	IC50	=	3.887	nM	DOI[10.6019/CHEMBL1201861]
NPT4609	Cell line	HCC1143	Homo sapiens	IC50	=	438.16	nM	DOI[10.6019/CHEMBL1201861]
NPT2048	Cell line	HCC1187	Homo sapiens	IC50	=	13.86	nM	DOI[10.6019/CHEMBL1201861]
NPT2394	Cell line	HSC-4	Homo sapiens	IC50	=	627.25	nM	DOI[10.6019/CHEMBL1201861]
NPT2049	Cell line	HT	Homo sapiens	IC50	=	21.58	nM	DOI[10.6019/CHEMBL1201861]
NPT2050	Cell line	K052	Homo sapiens	IC50	=	21.19	nM	DOI[10.6019/CHEMBL1201861]
NPT2051	Cell line	K5	Homo sapiens	IC50	=	41.89	nM	DOI[10.6019/CHEMBL1201861]
NPT2396	Cell line	KYSE-510	Homo sapiens	IC50	=	4.188	nM	DOI[10.6019/CHEMBL1201861]
NPT2397	Cell line	KYSE-520 cell line	n.a.	IC50	=	17.83	nM	DOI[10.6019/CHEMBL1201861]
NPT2053	Cell line	LU-139	Homo sapiens	IC50	=	52.88	nM	DOI[10.6019/CHEMBL1201861]
NPT2054	Cell line	LU-165	Homo sapiens	IC50	=	195.34	nM	DOI[10.6019/CHEMBL1201861]
NPT2055	Cell line	ML-2	Homo sapiens	IC50	=	4.323	nM	DOI[10.6019/CHEMBL1201861]
NPT2057	Cell line	NCI-H1155	Homo sapiens	IC50	=	9630.85	nM	DOI[10.6019/CHEMBL1201861]
NPT2410	Cell line	NCI-H1299	Homo sapiens	IC50	=	13.63	nM	DOI[10.6019/CHEMBL1201861]
NPT2059	Cell line	NCI-H2141	Homo sapiens	IC50	=	38.99	nM	DOI[10.6019/CHEMBL1201861]
NPT2399	Cell line	NCI-H2170	Homo sapiens	IC50	=	11.6	nM	DOI[10.6019/CHEMBL1201861]
NPT2039	Cell line	NCI-H82	Homo sapiens	IC50	=	60.02	nM	DOI[10.6019/CHEMBL1201861]
NPT4610	Cell line	NCI-H838	Homo sapiens	IC50	=	16.04	nM	DOI[10.6019/CHEMBL1201861]
NPT2061	Cell line	NCI-H889	Homo sapiens	IC50	=	40.27	nM	DOI[10.6019/CHEMBL1201861]
NPT2401	Cell line	PANC-03-27	Homo sapiens	IC50	=	5.948	nM	DOI[10.6019/CHEMBL1201861]
NPT2402	Cell line	PANC-08-13	Homo sapiens	IC50	=	46.95	nM	DOI[10.6019/CHEMBL1201861]
NPT2042	Cell line	SBC-1	Homo sapiens	IC50	=	2564.62	nM	DOI[10.6019/CHEMBL1201861]
NPT2403	Cell line	SBC-5	Homo sapiens	IC50	=	2.082	nM	DOI[10.6019/CHEMBL1201861]
NPT146	Cell line	SK-OV-3	Homo sapiens	IC50	=	8.386	nM	DOI[10.6019/CHEMBL1201861]
NPT2063	Cell line	SK-PN-DW	Homo sapiens	IC50	=	12.47	nM	DOI[10.6019/CHEMBL1201861]
NPT2404	Cell line	SW982	Homo sapiens	IC50	=	5.298	nM	DOI[10.6019/CHEMBL1201861]
NPT2405	Cell line	SAOS-2	Homo sapiens	IC50	=	1173.63	nM	DOI[10.6019/CHEMBL1201861]
NPT2245	Cell line	SiHa	Homo sapiens	IC50	=	281.27	nM	DOI[10.6019/CHEMBL1201861]
NPT403	Cell line	UACC-257	Homo sapiens	IC50	=	30.44	nM	DOI[10.6019/CHEMBL1201861]
NPT398	Cell line	UACC-62	Homo sapiens	IC50	=	33.45	nM	DOI[10.6019/CHEMBL1201861]
NPT2064	Cell line	UACC-812	Homo sapiens	IC50	=	8913.55	nM	DOI[10.6019/CHEMBL1201861]
NPT2046	Cell line	EVSA-T	Homo sapiens	IC50	=	275.19	nM	DOI[10.6019/CHEMBL1201861]
NPT2065	Cell line	EW-1	Homo sapiens	IC50	=	3.934	nM	DOI[10.6019/CHEMBL1201861]
NPT2066	Cell line	EW-11	Homo sapiens	IC50	=	42.68	nM	DOI[10.6019/CHEMBL1201861]
NPT2406	Cell line	HCC1395	Homo sapiens	IC50	=	15.87	nM	DOI[10.6019/CHEMBL1201861]
NPT2407	Cell line	HCC1419	Homo sapiens	IC50	=	396.56	nM	DOI[10.6019/CHEMBL1201861]
NPT453	Cell line	HT-1080	Homo sapiens	IC50	=	2.495	nM	DOI[10.6019/CHEMBL1201861]
NPT658	Cell line	HT1197	Homo sapiens	IC50	=	132.4	nM	DOI[10.6019/CHEMBL1201861]
NPT2419	Cell line	HT-1376	Homo sapiens	IC50	=	31.46	nM	DOI[10.6019/CHEMBL1201861]
NPT2052	Cell line	KALS-1	Homo sapiens	IC50	=	3.897	nM	DOI[10.6019/CHEMBL1201861]
NPT2067	Cell line	KARPAS-299	Homo sapiens	IC50	=	67.5	nM	DOI[10.6019/CHEMBL1201861]
NPT2408	Cell line	KYSE-70 cell line	n.a.	IC50	=	16.69	nM	DOI[10.6019/CHEMBL1201861]
NPT2068	Cell line	L-363	Homo sapiens	IC50	=	12.38	nM	DOI[10.6019/CHEMBL1201861]
NPT2069	Cell line	Lu-65	Homo sapiens	IC50	=	24.49	nM	DOI[10.6019/CHEMBL1201861]
NPT2409	Cell line	LU-99A	Homo sapiens	IC50	=	6.239	nM	DOI[10.6019/CHEMBL1201861]
NPT2056	Cell line	MLMA	Homo sapiens	IC50	=	36.9	nM	DOI[10.6019/CHEMBL1201861]
NPT2071	Cell line	MMAC-SF	Homo sapiens	IC50	=	20.46	nM	DOI[10.6019/CHEMBL1201861]
NPT2073	Cell line	NCI-H1304	Homo sapiens	IC50	=	35.16	nM	DOI[10.6019/CHEMBL1201861]
NPT2060	Cell line	NCI-H2171	Homo sapiens	IC50	=	109.28	nM	DOI[10.6019/CHEMBL1201861]
NPT2075	Cell line	NCI-H2196	Homo sapiens	IC50	=	328.49	nM	DOI[10.6019/CHEMBL1201861]
NPT2076	Cell line	NCI-H2227	Homo sapiens	IC50	=	1181.32	nM	DOI[10.6019/CHEMBL1201861]
NPT2411	Cell line	NCI-H2228	Homo sapiens	IC50	=	12.92	nM	DOI[10.6019/CHEMBL1201861]
NPT465	Cell line	NCI-N87	Homo sapiens	IC50	=	44.09	nM	DOI[10.6019/CHEMBL1201861]
NPT788	Cell line	SNU1	Homo sapiens	IC50	=	32.75	nM	DOI[10.6019/CHEMBL1201861]
NPT2412	Cell line	Panc1005	Homo sapiens	IC50	=	3.525	nM	DOI[10.6019/CHEMBL1201861]
NPT2413	Cell line	PC-14	Homo sapiens	IC50	=	3.26	nM	DOI[10.6019/CHEMBL1201861]
NPT2062	Cell line	SCC-15	Homo sapiens	IC50	=	8.695	nM	DOI[10.6019/CHEMBL1201861]
NPT2414	Cell line	SCC-25	Homo sapiens	IC50	=	12.48	nM	DOI[10.6019/CHEMBL1201861]
NPT2078	Cell line	SK-UT-1	Homo sapiens	IC50	=	2.234	nM	DOI[10.6019/CHEMBL1201861]
NPT2415	Cell line	SKG-IIIa	Homo sapiens	IC50	=	155.54	nM	DOI[10.6019/CHEMBL1201861]
NPT550	Cell line	T-24	Homo sapiens	IC50	=	284.25	nM	DOI[10.6019/CHEMBL1201861]
NPT396	Cell line	T47D	Homo sapiens	IC50	=	400.41	nM	DOI[10.6019/CHEMBL1201861]
NPT2416	Cell line	UACC-893	Homo sapiens	IC50	=	1092.33	nM	DOI[10.6019/CHEMBL1201861]
NPT2417	Cell line	UMUC3	Homo sapiens	IC50	=	21.22	nM	DOI[10.6019/CHEMBL1201861]
NPT2425	Cell line	UMC-11	Homo sapiens	IC50	=	77.01	nM	DOI[10.6019/CHEMBL1201861]
NPT2080	Cell line	EW-13	Homo sapiens	IC50	=	6.617	nM	DOI[10.6019/CHEMBL1201861]
NPT2418	Cell line	HCC1569	Homo sapiens	IC50	=	4.932	nM	DOI[10.6019/CHEMBL1201861]
NPT2081	Cell line	HCC1599	Homo sapiens	IC50	=	10.57	nM	DOI[10.6019/CHEMBL1201861]
NPT2426	Cell line	HCC1806	Homo sapiens	IC50	=	23.89	nM	DOI[10.6019/CHEMBL1201861]
NPT2082	Cell line	HT-144	Homo sapiens	IC50	=	0.5909	nM	DOI[10.6019/CHEMBL1201861]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	3.236	nM	DOI[10.6019/CHEMBL1201861]
NPT2083	Cell line	KARPAS-422	Homo sapiens	IC50	=	23.29	nM	DOI[10.6019/CHEMBL1201861]
NPT2084	Cell line	KARPAS-45	Homo sapiens	IC50	=	5.735	nM	DOI[10.6019/CHEMBL1201861]
NPT2086	Cell line	L-428	Homo sapiens	IC50	=	105.62	nM	DOI[10.6019/CHEMBL1201861]
NPT2087	Cell line	L-540	Homo sapiens	IC50	=	30.02	nM	DOI[10.6019/CHEMBL1201861]
NPT2070	Cell line	LXF-289 cell line	n.a.	IC50	=	4.685	nM	DOI[10.6019/CHEMBL1201861]
NPT114	Cell line	LoVo	Homo sapiens	IC50	=	7.902	nM	DOI[10.6019/CHEMBL1201861]
NPT2430	Cell line	M059J	Homo sapiens	IC50	=	14.06	nM	DOI[10.6019/CHEMBL1201861]
NPT2072	Cell line	MN-60	Homo sapiens	IC50	=	167.6	nM	DOI[10.6019/CHEMBL1201861]
NPT2088	Cell line	MOLT-16	Homo sapiens	IC50	=	12.78	nM	DOI[10.6019/CHEMBL1201861]
NPT2074	Cell line	NCI-H1355	Homo sapiens	IC50	=	2.9	nM	DOI[10.6019/CHEMBL1201861]
NPT2089	Cell line	NCI-H1395	Homo sapiens	IC50	=	53.49	nM	DOI[10.6019/CHEMBL1201861]
NPT405	Cell line	NCI-H226	Homo sapiens	IC50	=	24.95	nM	DOI[10.6019/CHEMBL1201861]
NPT2090	Cell line	SNU-16	Homo sapiens	IC50	=	38.56	nM	DOI[10.6019/CHEMBL1201861]
NPT2091	Cell line	SNU-5	Homo sapiens	IC50	=	45.85	nM	DOI[10.6019/CHEMBL1201861]
NPT306	Cell line	PC-3	Homo sapiens	IC50	=	104.48	nM	DOI[10.6019/CHEMBL1201861]
NPT2093	Cell line	PF-382	Homo sapiens	IC50	=	11.72	nM	DOI[10.6019/CHEMBL1201861]
NPT2421	Cell line	PFSK-1	Homo sapiens	IC50	=	20.54	nM	DOI[10.6019/CHEMBL1201861]
NPT2077	Cell line	SCC-3	Homo sapiens	IC50	=	1753.1	nM	DOI[10.6019/CHEMBL1201861]
NPT2422	Cell line	SCC-4	Homo sapiens	IC50	=	2.585	nM	DOI[10.6019/CHEMBL1201861]
NPT2423	Cell line	SCC-9	Homo sapiens	IC50	=	2.046	nM	DOI[10.6019/CHEMBL1201861]
NPT368	Cell line	SN12C	Homo sapiens	IC50	=	33.12	nM	DOI[10.6019/CHEMBL1201861]
NPT392	Cell line	SNB-75	Homo sapiens	IC50	=	12.45	nM	DOI[10.6019/CHEMBL1201861]
NPT2424	Cell line	T84	Homo sapiens	IC50	=	53.86	nM	DOI[10.6019/CHEMBL1201861]
NPT1125	Cell line	T98G	Homo sapiens	IC50	=	18.91	nM	DOI[10.6019/CHEMBL1201861]
NPT2096	Cell line	VA-ES-BJ	Homo sapiens	IC50	=	4.233	nM	DOI[10.6019/CHEMBL1201861]
NPT2435	Cell line	VM-CUB-1	Homo sapiens	IC50	=	19.07	nM	DOI[10.6019/CHEMBL1201861]
NPT2097	Cell line	EW-16	Homo sapiens	IC50	=	4.348	nM	DOI[10.6019/CHEMBL1201861]
NPT2098	Cell line	EW-18	Homo sapiens	IC50	=	7.046	nM	DOI[10.6019/CHEMBL1201861]
NPT1884	Cell line	HCC1937	Homo sapiens	IC50	=	117.42	nM	DOI[10.6019/CHEMBL1201861]
NPT2427	Cell line	HCC1954	Homo sapiens	IC50	=	10.09	nM	DOI[10.6019/CHEMBL1201861]
NPT2428	Cell line	HT-3	Homo sapiens	IC50	=	128.29	nM	DOI[10.6019/CHEMBL1201861]
NPT2429	Cell line	HT55	Homo sapiens	IC50	=	1727.47	nM	DOI[10.6019/CHEMBL1201861]
NPT2085	Cell line	Kasumi 1	n.a.	IC50	=	17.69	nM	DOI[10.6019/CHEMBL1201861]
NPT2099	Cell line	KE-37	Homo sapiens	IC50	=	4.42	nM	DOI[10.6019/CHEMBL1201861]
NPT2100	Cell line	KG-1	n.a.	IC50	=	105.05	nM	DOI[10.6019/CHEMBL1201861]
NPT1358	Cell line	LAMA-84	Homo sapiens	IC50	=	45.75	nM	DOI[10.6019/CHEMBL1201861]
NPT2101	Cell line	LAN-6	Homo sapiens	IC50	=	1424.58	nM	DOI[10.6019/CHEMBL1201861]
NPT387	Cell line	M14	Homo sapiens	IC50	=	21.12	nM	DOI[10.6019/CHEMBL1201861]
NPT2102	Cell line	MC-CAR	Homo sapiens	IC50	=	9.274	nM	DOI[10.6019/CHEMBL1201861]
NPT112	Cell line	MOLT-4	Homo sapiens	IC50	=	6.659	nM	DOI[10.6019/CHEMBL1201861]
NPT2104	Cell line	NCI-H1417	Homo sapiens	IC50	=	24.06	nM	DOI[10.6019/CHEMBL1201861]
NPT2105	Cell line	NCI-H1436	Homo sapiens	IC50	=	13.58	nM	DOI[10.6019/CHEMBL1201861]
NPT2431	Cell line	NCI-H1437	Homo sapiens	IC50	=	7.111	nM	DOI[10.6019/CHEMBL1201861]
NPT370	Cell line	NCI-H23	Homo sapiens	IC50	=	60.05	nM	DOI[10.6019/CHEMBL1201861]
NPT2432	Cell line	NCI-H2342	Homo sapiens	IC50	=	4.785	nM	DOI[10.6019/CHEMBL1201861]
NPT2092	Cell line	NEC8	Homo sapiens	IC50	=	13.91	nM	DOI[10.6019/CHEMBL1201861]
NPT2106	Cell line	NH-12	Homo sapiens	IC50	=	27.02	nM	DOI[10.6019/CHEMBL1201861]
NPT4611	Cell line	PLC-PRF-5	Homo sapiens	IC50	=	101.7	nM	DOI[10.6019/CHEMBL1201861]
NPT2107	Cell line	PSN1	Homo sapiens	IC50	=	4444.23	nM	DOI[10.6019/CHEMBL1201861]
NPT2109	Cell line	SCH	Homo sapiens	IC50	=	3188.37	nM	DOI[10.6019/CHEMBL1201861]
NPT2110	Cell line	SCLC-21H	Homo sapiens	IC50	=	908.51	nM	DOI[10.6019/CHEMBL1201861]
NPT4612	Cell line	SNG-M	Homo sapiens	IC50	=	3.883	nM	DOI[10.6019/CHEMBL1201861]
NPT890	Cell line	SNU-387	Homo sapiens	IC50	=	10.23	nM	DOI[10.6019/CHEMBL1201861]
NPT2433	Cell line	SNU-423	Homo sapiens	IC50	=	5.54	nM	DOI[10.6019/CHEMBL1201861]
NPT2095	Cell line	TALL-1	Homo sapiens	IC50	=	11871.36	nM	DOI[10.6019/CHEMBL1201861]
NPT2434	Cell line	TCC-SUP	Homo sapiens	IC50	=	27.06	nM	DOI[10.6019/CHEMBL1201861]
NPT2112	Cell line	TE-1	Homo sapiens	IC50	=	13.06	nM	DOI[10.6019/CHEMBL1201861]
NPT2436	Cell line	VMRC-RCZ	Homo sapiens	IC50	=	18.82	nM	DOI[10.6019/CHEMBL1201861]
NPT1653	Cell line	WM-115	Homo sapiens	IC50	=	108.34	nM	DOI[10.6019/CHEMBL1201861]
NPT2113	Cell line	EW-24	Homo sapiens	IC50	=	274.74	nM	DOI[10.6019/CHEMBL1201861]
NPT2115	Cell line	HCC2157	Homo sapiens	IC50	=	18.8	nM	DOI[10.6019/CHEMBL1201861]
NPT2116	Cell line	HCC2218	Homo sapiens	IC50	=	57.06	nM	DOI[10.6019/CHEMBL1201861]
NPT2438	Cell line	HTC-C3	Homo sapiens	IC50	=	26.49	nM	DOI[10.6019/CHEMBL1201861]
NPT2117	Cell line	HuTu80	Homo sapiens	IC50	=	2.177	nM	DOI[10.6019/CHEMBL1201861]
NPT2118	Cell line	KGN	Homo sapiens	IC50	=	7.051	nM	DOI[10.6019/CHEMBL1201861]
NPT2120	Cell line	LB1047-RCC	Homo sapiens	IC50	=	85.58	nM	DOI[10.6019/CHEMBL1201861]
NPT2121	Cell line	LB2241-RCC	Homo sapiens	IC50	=	352.41	nM	DOI[10.6019/CHEMBL1201861]
NPT2439	Cell line	MC-IXC	Homo sapiens	IC50	=	1.486	nM	DOI[10.6019/CHEMBL1201861]
NPT2122	Cell line	MC116	Homo sapiens	IC50	=	15.54	nM	DOI[10.6019/CHEMBL1201861]
NPT2103	Cell line	MONO-MAC-6	Homo sapiens	IC50	=	20.61	nM	DOI[10.6019/CHEMBL1201861]
NPT2123	Cell line	MPP-89	Homo sapiens	IC50	=	342.94	nM	DOI[10.6019/CHEMBL1201861]
NPT2124	Cell line	MRK-nu-1	Homo sapiens	IC50	=	4.474	nM	DOI[10.6019/CHEMBL1201861]
NPT2125	Cell line	NCI-H1522	Homo sapiens	IC50	=	185.27	nM	DOI[10.6019/CHEMBL1201861]
NPT2440	Cell line	NCI-H1563	Homo sapiens	IC50	=	12.81	nM	DOI[10.6019/CHEMBL1201861]
NPT2441	Cell line	NCI-H2347	Homo sapiens	IC50	=	26.11	nM	DOI[10.6019/CHEMBL1201861]
NPT2442	Cell line	NCI-H2405	Homo sapiens	IC50	=	50.71	nM	DOI[10.6019/CHEMBL1201861]
NPT2450	Cell line	NCI-H2452	Homo sapiens	IC50	=	2017.6	nM	DOI[10.6019/CHEMBL1201861]
NPT2126	Cell line	NKM-1	Homo sapiens	IC50	=	4.972	nM	DOI[10.6019/CHEMBL1201861]
NPT2127	Cell line	NMC-G1	Homo sapiens	IC50	=	14.95	nM	DOI[10.6019/CHEMBL1201861]
NPT2108	Cell line	QIMR-WIL	Homo sapiens	IC50	=	3.043	nM	DOI[10.6019/CHEMBL1201861]
NPT2128	Cell line	RCC10RGB	Homo sapiens	IC50	=	3296.13	nM	DOI[10.6019/CHEMBL1201861]
NPT2111	Cell line	SF-126	Homo sapiens	IC50	=	459.23	nM	DOI[10.6019/CHEMBL1201861]
NPT395	Cell line	SF-268	Homo sapiens	IC50	=	16.31	nM	DOI[10.6019/CHEMBL1201861]
NPT2443	Cell line	SNU-449	Homo sapiens	IC50	=	173.8	nM	DOI[10.6019/CHEMBL1201861]
NPT4613	Cell line	SNU-475	Homo sapiens	IC50	=	114.25	nM	DOI[10.6019/CHEMBL1201861]
NPT2129	Cell line	SNU-C1	Homo sapiens	IC50	=	97.97	nM	DOI[10.6019/CHEMBL1201861]
NPT2130	Cell line	TE-10	Homo sapiens	IC50	=	3.625	nM	DOI[10.6019/CHEMBL1201861]
NPT2131	Cell line	WSU-NHL	Homo sapiens	IC50	=	33.65	nM	DOI[10.6019/CHEMBL1201861]
NPT2444	Cell line	YAPC	Homo sapiens	IC50	=	1288.78	nM	DOI[10.6019/CHEMBL1201861]
NPT2114	Cell line	EW-3	Homo sapiens	IC50	=	182.23	nM	DOI[10.6019/CHEMBL1201861]
NPT4614	Cell line	EW-7	Homo sapiens	IC50	=	16.7	nM	DOI[10.6019/CHEMBL1201861]
NPT2132	Cell line	EOL1	Homo sapiens	IC50	=	9.086	nM	DOI[10.6019/CHEMBL1201861]
NPT391	Cell line	HCC 2998	Homo sapiens	IC50	=	5.045	nM	DOI[10.6019/CHEMBL1201861]
NPT2446	Cell line	HCC38	Homo sapiens	IC50	=	4.872	nM	DOI[10.6019/CHEMBL1201861]
NPT402	Cell line	Hs-578T	Homo sapiens	IC50	=	2455.25	nM	DOI[10.6019/CHEMBL1201861]
NPT2447	Cell line	HuCCT-1	Homo sapiens	IC50	=	2.778	nM	DOI[10.6019/CHEMBL1201861]
NPT1229	Cell line	Huh-7	Homo sapiens	IC50	=	29.57	nM	DOI[10.6019/CHEMBL1201861]
NPT2119	Cell line	KINGS-1	Homo sapiens	IC50	=	72.65	nM	DOI[10.6019/CHEMBL1201861]
NPT2448	Cell line	KLE	Homo sapiens	IC50	=	173.67	nM	DOI[10.6019/CHEMBL1201861]
NPT2134	Cell line	LB2518-MEL	Homo sapiens	IC50	=	210.62	nM	DOI[10.6019/CHEMBL1201861]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	5.011	nM	DOI[10.6019/CHEMBL1201861]
NPT2136	Cell line	MDA-MB-134-VI	Homo sapiens	IC50	=	301.94	nM	DOI[10.6019/CHEMBL1201861]
NPT2463	Cell line	MDA-MB-157	Homo sapiens	IC50	=	98.78	nM	DOI[10.6019/CHEMBL1201861]
NPT2137	Cell line	MS-1	Homo sapiens	IC50	=	79.96	nM	DOI[10.6019/CHEMBL1201861]
NPT2138	Cell line	MSTO-211H	Homo sapiens	IC50	=	8800.42	nM	DOI[10.6019/CHEMBL1201861]
NPT2139	Cell line	NCI-H1581	Homo sapiens	IC50	=	37.16	nM	DOI[10.6019/CHEMBL1201861]
NPT4615	Cell line	NCI-H1618	Homo sapiens	IC50	=	714.88	nM	DOI[10.6019/CHEMBL1201861]
NPT2451	Cell line	NCI-H28	Homo sapiens	IC50	=	78.75	nM	DOI[10.6019/CHEMBL1201861]
NPT2452	Cell line	NCI-H292	n.a.	IC50	=	5.053	nM	DOI[10.6019/CHEMBL1201861]
NPT2140	Cell line	NOMO-1	Homo sapiens	IC50	=	19.02	nM	DOI[10.6019/CHEMBL1201861]
NPT2141	Cell line	NOS-1	Homo sapiens	IC50	=	41.33	nM	DOI[10.6019/CHEMBL1201861]
NPT2453	Cell line	RCM-1	Homo sapiens	IC50	=	747.8	nM	DOI[10.6019/CHEMBL1201861]
NPT2454	Cell line	RD	Homo sapiens	IC50	=	5.425	nM	DOI[10.6019/CHEMBL1201861]
NPT399	Cell line	SF-295	Homo sapiens	IC50	=	12.03	nM	DOI[10.6019/CHEMBL1201861]
NPT374	Cell line	SF-539	Homo sapiens	IC50	=	14.1	nM	DOI[10.6019/CHEMBL1201861]
NPT2455	Cell line	SNU-C2B	Homo sapiens	IC50	=	7.749	nM	DOI[10.6019/CHEMBL1201861]
NPT385	Cell line	SR	Homo sapiens	IC50	=	5.842	nM	DOI[10.6019/CHEMBL1201861]
NPT2456	Cell line	TE-11	Homo sapiens	IC50	=	9.155	nM	DOI[10.6019/CHEMBL1201861]
NPT2144	Cell line	TE-12	Homo sapiens	IC50	=	496.53	nM	DOI[10.6019/CHEMBL1201861]
NPT2457	Cell line	YKG-1	Homo sapiens	IC50	=	3.73	nM	DOI[10.6019/CHEMBL1201861]
NPT2146	Cell line	YT	Homo sapiens	IC50	=	218.54	nM	DOI[10.6019/CHEMBL1201861]
NPT1216	Cell line	FaDu	Homo sapiens	IC50	=	48.52	nM	DOI[10.6019/CHEMBL1201861]
NPT2458	Cell line	FTC-133	Homo sapiens	IC50	=	309.39	nM	DOI[10.6019/CHEMBL1201861]
NPT2459	Cell line	HCC70	Homo sapiens	IC50	=	30.57	nM	DOI[10.6019/CHEMBL1201861]
NPT2460	Cell line	HCE-4	Homo sapiens	IC50	=	20.85	nM	DOI[10.6019/CHEMBL1201861]
NPT2461	Cell line	HuO-3N1	Homo sapiens	IC50	=	12.98	nM	DOI[10.6019/CHEMBL1201861]
NPT2462	Cell line	HuO9	Homo sapiens	IC50	=	7.092	nM	DOI[10.6019/CHEMBL1201861]
NPT2133	Cell line	KM-H2	Homo sapiens	IC50	=	9.108	nM	DOI[10.6019/CHEMBL1201861]
NPT386	Cell line	KM12	Homo sapiens	IC50	=	2.606	nM	DOI[10.6019/CHEMBL1201861]
NPT2135	Cell line	LB373-MEL-D	Homo sapiens	IC50	=	46.8	nM	DOI[10.6019/CHEMBL1201861]
NPT2147	Cell line	LB647-SCLC	Homo sapiens	IC50	=	6.889	nM	DOI[10.6019/CHEMBL1201861]
NPT2148	Cell line	LB771-HNC	Homo sapiens	IC50	=	8.591	nM	DOI[10.6019/CHEMBL1201861]
NPT2464	Cell line	MDA-MB-175-VII	Homo sapiens	IC50	=	280.65	nM	DOI[10.6019/CHEMBL1201861]
NPT82	Cell line	MDA-MB-231	Homo sapiens	IC50	=	37.39	nM	DOI[10.6019/CHEMBL1201861]
NPT1649	Cell line	MV4-11	Homo sapiens	IC50	=	10.39	nM	DOI[10.6019/CHEMBL1201861]
NPT2149	Cell line	MZ1-PC	Homo sapiens	IC50	=	17.7	nM	DOI[10.6019/CHEMBL1201861]
NPT2465	Cell line	NCI-H1623	Homo sapiens	IC50	=	28.49	nM	DOI[10.6019/CHEMBL1201861]
NPT2150	Cell line	NCI-H1648	Homo sapiens	IC50	=	3.92	nM	DOI[10.6019/CHEMBL1201861]
NPT388	Cell line	NCI-H322M	Homo sapiens	IC50	=	6407.49	nM	DOI[10.6019/CHEMBL1201861]
NPT2151	Cell line	NCI-H345	Homo sapiens	IC50	=	44.88	nM	DOI[10.6019/CHEMBL1201861]
NPT2466	Cell line	NCI-H358	Homo sapiens	IC50	=	5.888	nM	DOI[10.6019/CHEMBL1201861]
NPT2152	Cell line	NTERA-2-cl-D1	Homo sapiens	IC50	=	0.9386	nM	DOI[10.6019/CHEMBL1201861]
NPT2477	Cell line	NUGC-3	Homo sapiens	IC50	=	5.992	nM	DOI[10.6019/CHEMBL1201861]
NPT2142	Cell line	REH	Homo sapiens	IC50	=	7.207	nM	DOI[10.6019/CHEMBL1201861]
NPT2467	Cell line	RERF-LC-MS	Homo sapiens	IC50	=	10.18	nM	DOI[10.6019/CHEMBL1201861]
NPT2153	Cell line	RH-1	Homo sapiens	IC50	=	11.02	nM	DOI[10.6019/CHEMBL1201861]
NPT2154	Cell line	SH-4	Homo sapiens	IC50	=	15.52	nM	DOI[10.6019/CHEMBL1201861]
NPT2155	Cell line	SHP77	Homo sapiens	IC50	=	508.08	nM	DOI[10.6019/CHEMBL1201861]
NPT2143	Cell line	ST486	Homo sapiens	IC50	=	2.957	nM	DOI[10.6019/CHEMBL1201861]
NPT2156	Cell line	SU-DHL-1	Homo sapiens	IC50	=	9.451	nM	DOI[10.6019/CHEMBL1201861]
NPT2157	Cell line	SUP-T1	Homo sapiens	IC50	=	4.719	nM	DOI[10.6019/CHEMBL1201861]
NPT2481	Cell line	SW1088	Homo sapiens	IC50	=	79.44	nM	DOI[10.6019/CHEMBL1201861]
NPT2145	Cell line	TE-15	Homo sapiens	IC50	=	3.103	nM	DOI[10.6019/CHEMBL1201861]
NPT2158	Cell line	TE-441-T	Homo sapiens	IC50	=	34.86	nM	DOI[10.6019/CHEMBL1201861]
NPT2159	Cell line	TE-5	Homo sapiens	IC50	=	11.69	nM	DOI[10.6019/CHEMBL1201861]
NPT2160	Cell line	no-10	Homo sapiens	IC50	=	45.61	nM	DOI[10.6019/CHEMBL1201861]
NPT2161	Cell line	no-11	Homo sapiens	IC50	=	163.48	nM	DOI[10.6019/CHEMBL1201861]
NPT2468	Cell line	G-361	Homo sapiens	IC50	=	3.525	nM	DOI[10.6019/CHEMBL1201861]
NPT2469	Cell line	G-401	Homo sapiens	IC50	=	7.874	nM	DOI[10.6019/CHEMBL1201861]
NPT2470	Cell line	G-402	Homo sapiens	IC50	=	32.08	nM	DOI[10.6019/CHEMBL1201861]
NPT2162	Cell line	HCE-T	Homo sapiens	IC50	=	1153.81	nM	DOI[10.6019/CHEMBL1201861]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	3.373	nM	DOI[10.6019/CHEMBL1201861]
NPT2471	Cell line	HuP-T3	Homo sapiens	IC50	=	256.14	nM	DOI[10.6019/CHEMBL1201861]
NPT2472	Cell line	HuP-T4	Homo sapiens	IC50	=	37.3	nM	DOI[10.6019/CHEMBL1201861]
NPT2485	Cell line	IA-LM	Homo sapiens	IC50	=	3.713	nM	DOI[10.6019/CHEMBL1201861]
NPT2163	Cell line	KMOE-2	Homo sapiens	IC50	=	136.23	nM	DOI[10.6019/CHEMBL1201861]
NPT2164	Cell line	KMS-12-PE	Homo sapiens	IC50	=	60.15	nM	DOI[10.6019/CHEMBL1201861]
NPT2166	Cell line	LB831-BLC	Homo sapiens	IC50	=	29.15	nM	DOI[10.6019/CHEMBL1201861]
NPT2473	Cell line	MDA-MB-361	Homo sapiens	IC50	=	9.759	nM	DOI[10.6019/CHEMBL1201861]
NPT2474	Cell line	MDA-MB-415	Homo sapiens	IC50	=	24.1	nM	DOI[10.6019/CHEMBL1201861]
NPT2488	Cell line	MDA-MB-453	Homo sapiens	IC50	=	199.51	nM	DOI[10.6019/CHEMBL1201861]
NPT2168	Cell line	MZ2-MEL	Homo sapiens	IC50	=	42.95	nM	DOI[10.6019/CHEMBL1201861]
NPT1820	Cell line	NCI-H1650	Homo sapiens	IC50	=	40.68	nM	DOI[10.6019/CHEMBL1201861]
NPT2475	Cell line	NCI-H1651	Homo sapiens	IC50	=	60.64	nM	DOI[10.6019/CHEMBL1201861]
NPT2476	Cell line	NCI-H441	Homo sapiens	IC50	=	33.12	nM	DOI[10.6019/CHEMBL1201861]
NPT937	Cell line	NCI-H446	Homo sapiens	IC50	=	14.81	nM	DOI[10.6019/CHEMBL1201861]
NPT2478	Cell line	NY	Homo sapiens	IC50	=	8.123	nM	DOI[10.6019/CHEMBL1201861]
NPT2479	Cell line	OAW-28	Homo sapiens	IC50	=	15.22	nM	DOI[10.6019/CHEMBL1201861]
NPT2170	Cell line	RKO	Homo sapiens	IC50	=	1.52	nM	DOI[10.6019/CHEMBL1201861]
NPT2171	Cell line	SIG-M5	Homo sapiens	IC50	=	2.476	nM	DOI[10.6019/CHEMBL1201861]
NPT2172	Cell line	SIMA	Homo sapiens	IC50	=	112.96	nM	DOI[10.6019/CHEMBL1201861]
NPT3467	Cell line	SJRH30	Homo sapiens	IC50	=	29.31	nM	DOI[10.6019/CHEMBL1201861]
NPT2483	Cell line	SW13	Homo sapiens	IC50	=	4.717	nM	DOI[10.6019/CHEMBL1201861]
NPT2495	Cell line	SW1417	Homo sapiens	IC50	=	173.27	nM	DOI[10.6019/CHEMBL1201861]
NPT2173	Cell line	TE-6	Homo sapiens	IC50	=	87.2	nM	DOI[10.6019/CHEMBL1201861]
NPT2174	Cell line	TE-8	Homo sapiens	IC50	=	45.98	nM	DOI[10.6019/CHEMBL1201861]
NPT2175	Cell line	GAK	Homo sapiens	IC50	=	102.72	nM	DOI[10.6019/CHEMBL1201861]
NPT2484	Cell line	GAMG	Homo sapiens	IC50	=	13.03	nM	DOI[10.6019/CHEMBL1201861]
NPT148	Cell line	HCT-15	Homo sapiens	IC50	=	1223.04	nM	DOI[10.6019/CHEMBL1201861]
NPT2176	Cell line	HD-MY-Z	Homo sapiens	IC50	=	29.24	nM	DOI[10.6019/CHEMBL1201861]
NPT2486	Cell line	IGR-1	Homo sapiens	IC50	=	1.903	nM	DOI[10.6019/CHEMBL1201861]
NPT458	Cell line	IGROV-1	Homo sapiens	IC50	=	2.202	nM	DOI[10.6019/CHEMBL1201861]
NPT2165	Cell line	KNS-42	Homo sapiens	IC50	=	8.028	nM	DOI[10.6019/CHEMBL1201861]
NPT2178	Cell line	KNS-81-FD	Homo sapiens	IC50	=	807.9	nM	DOI[10.6019/CHEMBL1201861]
NPT2167	Cell line	LB996-RCC	Homo sapiens	IC50	=	308.83	nM	DOI[10.6019/CHEMBL1201861]
NPT2179	Cell line	LC-1F	Homo sapiens	IC50	=	44.79	nM	DOI[10.6019/CHEMBL1201861]
NPT2180	Cell line	LC-2-ad	Homo sapiens	IC50	=	4.977	nM	DOI[10.6019/CHEMBL1201861]
NPT784	Cell line	MDA-MB-468	Homo sapiens	IC50	=	7.137	nM	DOI[10.6019/CHEMBL1201861]
NPT1773	Cell line	ME-180	Homo sapiens	IC50	=	21.04	nM	DOI[10.6019/CHEMBL1201861]
NPT2169	Cell line	MZ7-mel	Homo sapiens	IC50	=	10.24	nM	DOI[10.6019/CHEMBL1201861]
NPT2489	Cell line	MeWo	Homo sapiens	IC50	=	15.18	nM	DOI[10.6019/CHEMBL1201861]
NPT2491	Cell line	NCI-H1693	Homo sapiens	IC50	=	7895.71	nM	DOI[10.6019/CHEMBL1201861]
NPT2183	Cell line	NCI-H1694	Homo sapiens	IC50	=	44.39	nM	DOI[10.6019/CHEMBL1201861]
NPT397	Cell line	NCI-H460	Homo sapiens	IC50	=	6.983	nM	DOI[10.6019/CHEMBL1201861]
NPT2184	Cell line	NCI-H510A	Homo sapiens	IC50	=	15.45	nM	DOI[10.6019/CHEMBL1201861]
NPT2492	Cell line	OAW-42	Homo sapiens	IC50	=	42.45	nM	DOI[10.6019/CHEMBL1201861]
NPT2185	Cell line	OCI-AML2	Homo sapiens	IC50	=	10.25	nM	DOI[10.6019/CHEMBL1201861]
NPT2186	Cell line	RL	Homo sapiens	IC50	=	415.13	nM	DOI[10.6019/CHEMBL1201861]
NPT2187	Cell line	RL95-2	Homo sapiens	IC50	=	7.132	nM	DOI[10.6019/CHEMBL1201861]
NPT2494	Cell line	RMG-I	Homo sapiens	IC50	=	93.79	nM	DOI[10.6019/CHEMBL1201861]
NPT2188	Cell line	SJSA-1	Homo sapiens	IC50	=	12.61	nM	DOI[10.6019/CHEMBL1201861]
NPT4616	Cell line	SK-CO-1	Homo sapiens	IC50	=	8.497	nM	DOI[10.6019/CHEMBL1201861]
NPT2496	Cell line	SW1463	Homo sapiens	IC50	=	409.46	nM	DOI[10.6019/CHEMBL1201861]
NPT1577	Cell line	SW1573	Homo sapiens	IC50	=	34.0	nM	DOI[10.6019/CHEMBL1201861]
NPT2189	Cell line	TE-9	Homo sapiens	IC50	=	1.078	nM	DOI[10.6019/CHEMBL1201861]
NPT2190	Cell line	GB-1	Homo sapiens	IC50	=	189.59	nM	DOI[10.6019/CHEMBL1201861]
NPT2191	Cell line	GCIY	Homo sapiens	IC50	=	57.88	nM	DOI[10.6019/CHEMBL1201861]
NPT2177	Cell line	HDLM-2	Homo sapiens	IC50	=	15.9	nM	DOI[10.6019/CHEMBL1201861]
NPT2497	Cell line	HEC-1	Homo sapiens	IC50	=	22.72	nM	DOI[10.6019/CHEMBL1201861]
NPT2193	Cell line	IM-9	Homo sapiens	IC50	=	545.57	nM	DOI[10.6019/CHEMBL1201861]
NPT2194	Cell line	IMR-5	Homo sapiens	IC50	=	11.25	nM	DOI[10.6019/CHEMBL1201861]
NPT4617	Cell line	IPC-298	Homo sapiens	IC50	=	36.56	nM	DOI[10.6019/CHEMBL1201861]
NPT2498	Cell line	KOSC-2	Homo sapiens	IC50	=	74.57	nM	DOI[10.6019/CHEMBL1201861]
NPT2499	Cell line	KP-4	Homo sapiens	IC50	=	2.711	nM	DOI[10.6019/CHEMBL1201861]
NPT2195	Cell line	LC4-1	Homo sapiens	IC50	=	7.188	nM	DOI[10.6019/CHEMBL1201861]
NPT2500	Cell line	LCLC-103H cell line	n.a.	IC50	=	1.427	nM	DOI[10.6019/CHEMBL1201861]
NPT2512	Cell line	LCLC-97TM1	Homo sapiens	IC50	=	1.559	nM	DOI[10.6019/CHEMBL1201861]
NPT2181	Cell line	MEG-01	Homo sapiens	IC50	=	20.8	nM	DOI[10.6019/CHEMBL1201861]
NPT2501	Cell line	MEL-HO	Homo sapiens	IC50	=	3.291	nM	DOI[10.6019/CHEMBL1201861]
NPT2502	Cell line	MEL-JUSO	Homo sapiens	IC50	=	4.255	nM	DOI[10.6019/CHEMBL1201861]
NPT623	Cell line	NALM-6	Homo sapiens	IC50	=	5.94	nM	DOI[10.6019/CHEMBL1201861]
NPT2503	Cell line	NCI-H1703	Homo sapiens	IC50	=	2.834	nM	DOI[10.6019/CHEMBL1201861]
NPT4618	Cell line	NCI-H1734	Homo sapiens	IC50	=	14.1	nM	DOI[10.6019/CHEMBL1201861]
NPT2504	Cell line	NCI-H1755	Homo sapiens	IC50	=	17.36	nM	DOI[10.6019/CHEMBL1201861]
NPT2505	Cell line	NCI-H520	n.a.	IC50	=	1.87	nM	DOI[10.6019/CHEMBL1201861]
NPT455	Cell line	NCI-H522	Homo sapiens	IC50	=	0.5354	nM	DOI[10.6019/CHEMBL1201861]
NPT2198	Cell line	NCI-H524	Homo sapiens	IC50	=	69.87	nM	DOI[10.6019/CHEMBL1201861]
NPT2199	Cell line	OCUB-M	Homo sapiens	IC50	=	4.433	nM	DOI[10.6019/CHEMBL1201861]
NPT2336	Cell line	OE19	Homo sapiens	IC50	=	13.24	nM	DOI[10.6019/CHEMBL1201861]
NPT2506	Cell line	RO82-W-1	Homo sapiens	IC50	=	1371.01	nM	DOI[10.6019/CHEMBL1201861]
NPT2507	Cell line	RPMI-2650	Homo sapiens	IC50	=	9.996	nM	DOI[10.6019/CHEMBL1201861]
NPT1086	Cell line	SK-HEP1	Homo sapiens	IC50	=	4.517	nM	DOI[10.6019/CHEMBL1201861]
NPT2201	Cell line	SK-LMS-1	Homo sapiens	IC50	=	1.461	nM	DOI[10.6019/CHEMBL1201861]
NPT311	Cell line	SK-LU-1	Homo sapiens	IC50	=	51.83	nM	DOI[10.6019/CHEMBL1201861]
NPT2508	Cell line	SW1710	Homo sapiens	IC50	=	2.334	nM	DOI[10.6019/CHEMBL1201861]
NPT2509	Cell line	SW1783	Homo sapiens	IC50	=	492.39	nM	DOI[10.6019/CHEMBL1201861]
NPT2202	Cell line	TGBC1TKB	Homo sapiens	IC50	=	69.5	nM	DOI[10.6019/CHEMBL1201861]
NPT2339	Cell line	TGBC24TKB	Homo sapiens	IC50	=	20.14	nM	DOI[10.6019/CHEMBL1201861]
NPT2510	Cell line	GCT	Homo sapiens	IC50	=	50.77	nM	DOI[10.6019/CHEMBL1201861]
NPT2203	Cell line	GDM-1	Homo sapiens	IC50	=	24.61	nM	DOI[10.6019/CHEMBL1201861]
NPT2192	Cell line	HEL	Homo sapiens	IC50	=	38.28	nM	DOI[10.6019/CHEMBL1201861]
NPT2511	Cell line	HGC-27	Homo sapiens	IC50	=	1.852	nM	DOI[10.6019/CHEMBL1201861]
NPT2205	Cell line	IST-MEL1	Homo sapiens	IC50	=	155.89	nM	DOI[10.6019/CHEMBL1201861]
NPT2206	Cell line	IST-MES1	Homo sapiens	IC50	=	532.33	nM	DOI[10.6019/CHEMBL1201861]
NPT2208	Cell line	KP-N-YS	Homo sapiens	IC50	=	21.83	nM	DOI[10.6019/CHEMBL1201861]
NPT2513	Cell line	LK-2	Homo sapiens	IC50	=	12.51	nM	DOI[10.6019/CHEMBL1201861]
NPT2514	Cell line	LN-405	Homo sapiens	IC50	=	245.04	nM	DOI[10.6019/CHEMBL1201861]
NPT2844	Cell line	MES-SA	Homo sapiens	IC50	=	3.115	nM	DOI[10.6019/CHEMBL1201861]
NPT2515	Cell line	MFE-280	Homo sapiens	IC50	=	144.33	nM	DOI[10.6019/CHEMBL1201861]
NPT3882	Cell line	MFE-296	Homo sapiens	IC50	=	5.989	nM	DOI[10.6019/CHEMBL1201861]
NPT2196	Cell line	NB1	Homo sapiens	IC50	=	26.08	nM	DOI[10.6019/CHEMBL1201861]
NPT2210	Cell line	NB10	Homo sapiens	IC50	=	114.54	nM	DOI[10.6019/CHEMBL1201861]
NPT2211	Cell line	NB12	Homo sapiens	IC50	=	2.111	nM	DOI[10.6019/CHEMBL1201861]
NPT2197	Cell line	NCI-H1770	Homo sapiens	IC50	=	5.534	nM	DOI[10.6019/CHEMBL1201861]
NPT1669	Cell line	NCI-H1792	Homo sapiens	IC50	=	95.13	nM	DOI[10.6019/CHEMBL1201861]
NPT2334	Cell line	NCI-H1793	Homo sapiens	IC50	=	19.24	nM	DOI[10.6019/CHEMBL1201861]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	35.0	nM	PMID[23822556]
NPT737	Cell line	HUVEC	Homo sapiens	IC50	=	2.0	nM	PMID[23822556]
NPT111	Cell line	K562	Homo sapiens	IC50	=	20.0	nM	PMID[23822556]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	35.0	nM	PMID[24871162]
NPT111	Cell line	K562	Homo sapiens	IC50	=	3.5	nM	PMID[24871162]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	4.0	nM	PMID[24871162]
NPT111	Cell line	K562	Homo sapiens	IC50	=	6.0	nM	PMID[24901800]
NPT378	Cell line	NCI/ADR-RES	Homo sapiens	IC50	=	5000.0	nM	PMID[25025991]
NPT1884	Cell line	HCC1937	Homo sapiens	IC50	>	10000.0	nM	PMID[25872984]
NPT1884	Cell line	HCC1937	Homo sapiens	Inhibition	=	0.0	%	PMID[25872984]
NPT111	Cell line	K562	Homo sapiens	IC50	=	6.0	nM	PMID[25804719]
NPT381	Cell line	OVCAR-8	Homo sapiens	IC50	=	300.0	nM	PMID[26132075]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	11470.0	nM	PMID[26420067]
NPT65	Cell line	HepG2	Homo sapiens	IC50	=	23120.0	nM	PMID[26420067]
NPT381	Cell line	OVCAR-8	Homo sapiens	IC50	=	300.0	nM	PMID[29730191]
NPT378	Cell line	NCI/ADR-RES	Homo sapiens	IC50	=	5000.0	nM	PMID[29730191]
NPT2276	Cell line	A673	Homo sapiens	TGI	=	6.0	nM	PMID[30830773]
NPT2341	Cell line	NCI-H1975	Homo sapiens	IC50	=	8.0	nM	PMID[32473523]
NPT65	Cell line	HepG2	Homo sapiens	IC50	=	110.0	nM	PMID[32473523]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	14.9	nM	PMID[32473523]
NPT2341	Cell line	NCI-H1975	Homo sapiens	Activity	=	17.39	%	PMID[32473523]
NPT2341	Cell line	NCI-H1975	Homo sapiens	Activity	=	34.31	%	PMID[32473523]
NPT2341	Cell line	NCI-H1975	Homo sapiens	Activity	=	51.85	%	PMID[32473523]
NPT2341	Cell line	NCI-H1975	Homo sapiens	Inhibition	=	0.7	%	PMID[32473523]
NPT2341	Cell line	NCI-H1975	Homo sapiens	Inhibition	=	52.61	%	PMID[32473523]
NPT2341	Cell line	NCI-H1975	Homo sapiens	Inhibition	=	70.48	%	PMID[32473523]
NPT65	Cell line	HepG2	Homo sapiens	Inhibition	=	11.7	%	PMID[32473523]
NPT65	Cell line	HepG2	Homo sapiens	Inhibition	=	33.1	%	PMID[32473523]
NPT65	Cell line	HepG2	Homo sapiens	Inhibition	=	47.41	%	PMID[32473523]
NPT393	Cell line	HCT-116	Homo sapiens	Inhibition	=	13.01	%	PMID[32473523]
NPT393	Cell line	HCT-116	Homo sapiens	Inhibition	=	28.49	%	PMID[32473523]
NPT393	Cell line	HCT-116	Homo sapiens	Inhibition	=	50.94	%	PMID[32473523]
NPT2356	Cell line	NCI-H661	Homo sapiens	IC50	=	120.0	nM	PMID[33588178]
NPT2410	Cell line	NCI-H1299	Homo sapiens	IC50	=	230.0	nM	PMID[33588178]
NPT81	Cell line	A549	Homo sapiens	IC50	=	600.0	nM	PMID[33588178]
NPT2844	Cell line	MES-SA	Homo sapiens	IC50	=	210.0	nM	PMID[33588178]
NPT2829	Cell line	MES-SA/DxS	Homo sapiens	IC50	>	32000.0	nM	PMID[33588178]
NPT2844	Cell line	MES-SA	Homo sapiens	Activity	=	17.4	%	PMID[33588178]
NPT2844	Cell line	MES-SA	Homo sapiens	Activity	=	11.8	%	PMID[33588178]
NPT2829	Cell line	MES-SA/DxS	Homo sapiens	Activity	=	0.8	%	PMID[33588178]
NPT2829	Cell line	MES-SA/DxS	Homo sapiens	Activity	=	1.1	%	PMID[33588178]
NPT2829	Cell line	MES-SA/DxS	Homo sapiens	Activity	=	2.3	%	PMID[33588178]
NPT2829	Cell line	MES-SA/DxS	Homo sapiens	Activity	=	80.0	%	PMID[33588178]
NPT378	Cell line	NCI/ADR-RES	Homo sapiens	IC50	=	5000.0	nM	PMID[37902628]
NPT15166	Cell line	Hep293TT	Homo sapiens	TGI	=	80.0	nM	PMID[30830773]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	20000.0	nM	DOI[10.6019/CHEMBL4651402]
NPT20555	Organism	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	19952.62	nM	DOI[10.6019/CHEMBL4651402]
NPT29204	Cell line	KBv200	Homo sapiens	Inhibition	=	18.0	%	PMID[36728755]
NPT29204	Cell line	KBv200	Homo sapiens	Activity	n.a.	n.a.	n.a.	PMID[36728755]
NPT29204	Cell line	KBv200	Homo sapiens	T/C	=	82.0	%	PMID[36728755]
NPT29204	Cell line	KBv200	Homo sapiens	Activity	=	122.3	mm3	PMID[36728755]
NPT29204	Cell line	KBv200	Homo sapiens	Activity	=	1727.4	mm3	PMID[36728755]
NPT580	Organism	Trypanosoma cruzi	Trypanosoma cruzi	EC50	=	10000.0	nM	PMID[20547819]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	5000.0	nM	PMID[22044164]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	2.0	nM	PMID[23822556]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	2.0	nM	PMID[24871162]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	15.0	nM	PMID[24901800]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	300.0	nM	PMID[25025991]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	0.07	nM	PMID[25872984]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	15.0	nM	PMID[25804719]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	3.5	nM	PMID[25804719]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	5000.0	nM	PMID[26132075]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	3.0	nM	PMID[27753480]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	410.0	nM	PMID[27753480]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Ratio IC50	=	137.0	n.a.	PMID[27753480]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	35.0	%	PMID[27643641]
NPT29392	Protein complex	Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2	Homo sapiens	AC50	>	30000.0	nM	PMID[37468498]
NPT22224	Cell line	Vero C1008	Chlorocebus sabaeus	CC50	n.a.	14500.0	nM	DOI[10.6019/CHEMBL4651402]
NPT27	Others	Unspecified	n.a.	EC50	>	50000.0	nM	PMID[20547819]
NPT2	Others	Unspecified	n.a.	Ratio EC50	>	5.0	n.a.	PMID[20547819]
NPT2	Others	Unspecified	n.a.	IC50	=	700.0	nM	PMID[23822556]
NPT2	Others	Unspecified	n.a.	IC50	=	600.0	nM	PMID[24871162]
NPT27	Others	Unspecified	n.a.	Ratio	=	108.0	n.a.	PMID[21051535]
NPT27	Others	Unspecified	n.a.	Ratio	=	1.0	n.a.	PMID[21051535]
NPT27	Others	Unspecified	n.a.	Ratio	=	5.9	n.a.	PMID[21051535]
NPT27	Others	Unspecified	n.a.	Ratio	=	83.0	n.a.	PMID[21051535]
NPT27	Others	Unspecified	n.a.	Ratio	=	65.0	n.a.	PMID[21051535]
NPT2	Others	Unspecified	n.a.	Ratio	=	0.9	n.a.	PMID[27753480]
NPT2	Others	Unspecified	n.a.	IC50	=	66.0	nM	PMID[29624387]
NPT2	Others	Unspecified	n.a.	Activity	=	30.0	%	PMID[27428868]
NPT2	Others	Unspecified	n.a.	TGI	=	6.0	nM	PMID[30830773]
NPT2	Others	Unspecified	n.a.	TGI	=	80.0	nM	PMID[30830773]

In vivo activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	16.4	g	PMID[17544278]
NPT32	Organism	Mus musculus	Mus musculus	Activity	>	10.0	%	PMID[19147348]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	26.22	g	PMID[23107481]

Experimental ADME

Experiment Model	Experiment Tissue	ADME Type	ADME Relation	ADME Value	ADME Unit	Reference
Mus musculus	n.a.	T1/2	=	27.7	hr	PMID[38516587]
Mus musculus	n.a.	Vdss	=	25.4	L.kg-1	PMID[38516587]
Mus musculus	Plasma	CL	=	16.17	mL.min-1.kg-1	PMID[38516587]
Mus musculus	n.a.	T1/2	=	24.8	hr	PMID[38516587]

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 NPC302688 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	20134
0.1-0.2	29098
0.2-0.3	606
0.3-0.4	10
0.4-0.5	2
0.5-0.6	1
0.6-0.7	5
0.7-0.8	2
0.8-0.85	1
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8189	Intermediate Similarity	NPC608514
0.6985	Remote Similarity	NPC195788
0.6985	Remote Similarity	NPC237901
0.6912	Remote Similarity	NPC277353
0.6912	Remote Similarity	NPC600057
0.6786	Remote Similarity	NPC485509
0.5329	Remote Similarity	NPC481036

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC302688 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	4872
0.1-0.2	4241
0.2-0.3	23
0.3-0.4	0
0.4-0.5	2
0.5-0.6	3
0.6-0.7	4
0.7-0.8	2
0.8-0.85	0
0.85-0.9	0
0.9-0.95	1
0.95-1	2

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD8428	Approved
1.0	High Similarity	NPD8429	Phase 4
0.9274	High Similarity	NPD8427	Approved
0.7907	Intermediate Similarity	NPD8425	Approved
0.7907	Intermediate Similarity	NPD8426	Phase 4
0.6985	Remote Similarity	NPD8466	Phase 4
0.6985	Remote Similarity	NPD8467	Approved
0.6786	Remote Similarity	NPD8465	Approved
0.6268	Remote Similarity	NPD8489	Phase 1
0.5608	Remote Similarity	NPD8364	Approved
0.5497	Remote Similarity	NPD8363	Approved
0.5497	Remote Similarity	NPD8365	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