NPASS Compound

Natural Product: NPC488127

Natural Product ID	NPC488127
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	XCDIRYDKECHIPE-QHEQPUDQSA-N
IUPAC Name	n.a.
Synonyms
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	n.a.
PubChem CID	148123
Chemical Classification	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000012] Lipids and lipid-like molecules [CHEMONTID:0000259] Prenol lipids [CHEMONTID:0001551] Diterpenoids [CHEMONTID:0000676] Taxanes 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 120122 0 0 0 0 0 0 0 0999 V2000 1.4221 1.2042 -2.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3218 0.2323 -2.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8255 0.3626 -2.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9765 1.7686 -3.0619 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2143 2.2509 -2.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8403 2.9233 -3.2679 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0094 2.2484 -1.1721 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4730 2.3174 -1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5839 3.5125 -0.4965 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5219 3.5962 0.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 2.3657 1.7604 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3725 1.2115 1.0663 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5638 2.0218 1.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9413 2.5000 2.4743 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8111 1.0153 -0.3346 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1880 -0.2735 -0.9462 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0678 -1.2060 -1.3941 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9080 -1.2933 -0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4376 -0.8536 -1.0198 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2950 -0.4958 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 -1.1729 0.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7109 -2.1404 -0.3428 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3621 -0.7711 1.5080 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7342 -0.4359 0.9994 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4315 -1.5874 0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1339 -2.8684 0.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7857 -3.9273 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7475 -3.6674 -0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0129 -2.3524 -1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3866 -1.3065 -0.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5696 0.2728 1.8778 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2269 -0.2109 2.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1728 -1.5595 3.1213 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 0.7084 3.5813 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5104 1.8131 2.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2249 2.7738 3.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4886 2.5846 2.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5390 1.2996 1.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 0.4962 1.9032 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6367 -0.8780 -2.8364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8218 -0.7080 -3.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7798 -1.9250 -3.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7193 -2.4235 -1.5998 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1981 -0.9753 -0.2409 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4348 -1.3121 -0.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6734 -0.9462 -1.8655 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4467 -2.0199 0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6648 -2.2985 -0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6526 -2.9893 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4354 -3.4117 1.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2116 -3.1402 2.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2362 -2.4450 1.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1586 0.0715 1.8065 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4915 -0.3291 3.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1448 0.4172 3.7449 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0767 -1.6575 3.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4135 4.5338 -1.0275 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0103 1.9262 -4.4447 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 0.3710 -0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 0.3987 -0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 0.3970 -0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3648 0.6058 -2.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4764 1.4665 -3.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 2.0317 -1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1661 2.4257 -2.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8631 3.3552 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1123 1.5724 -1.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5634 2.0195 -2.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5618 3.8230 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1891 4.4479 1.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5139 3.9922 1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9436 2.1044 2.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7478 2.9245 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5319 1.5183 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6955 0.9774 -0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7003 -0.0475 -1.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -0.8315 0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7721 -2.3985 -0.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -1.7049 -1.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2915 -1.4062 2.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5329 0.2734 0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -3.1586 1.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5453 -4.9468 0.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2565 -4.5035 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7577 -2.0926 -1.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6015 -0.2640 -0.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3002 -1.9816 3.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6812 2.2557 4.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4870 3.5326 4.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0238 3.2706 3.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8039 3.6680 2.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5026 2.2837 1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4870 2.5507 2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9805 0.7835 1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1721 0.5328 2.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1621 2.1471 1.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2541 0.3893 2.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5596 -1.5105 -3.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5327 -0.9786 -4.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 0.2804 -3.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1807 -2.3007 -4.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5842 -2.8303 -2.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2307 -1.5157 -3.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5324 -2.8954 -2.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8529 -1.9720 -1.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6000 -3.2007 -0.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1920 -3.9605 2.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0608 -3.4772 3.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2854 -2.2302 1.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9699 -2.1418 3.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2774 -1.6078 4.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7391 -2.3311 2.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4287 5.3274 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9195 2.8825 -4.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8267 -0.1860 -0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8282 -0.1850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7913 -0.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7862 -0.2012 -0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7974 -0.1997 -0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8004 -0.1973 0.0000 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 2 0 5 7 1 0 7 8 1 6 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 24 31 1 0 31 32 2 3 32 33 1 0 32 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 23 39 1 0 17 40 1 0 40 41 1 0 40 42 1 0 17 43 1 6 16 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 2 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 12 53 1 1 53 54 1 0 54 55 2 0 54 56 1 0 9 57 1 0 4 58 1 0 19 2 1 0 30 25 1 0 52 47 1 0 40 3 1 0 15 7 1 0 14 11 1 0 1 62 1 0 1 63 1 0 1 64 1 0 4 65 1 1 8 66 1 0 8 67 1 0 8 68 1 0 9 69 1 6 10 70 1 0 10 71 1 0 11 72 1 1 13 73 1 0 13 74 1 0 15 75 1 1 16 76 1 6 18 77 1 0 18 78 1 0 19 79 1 6 23 80 1 1 24 81 1 6 26 82 1 0 27 83 1 0 28 84 1 0 29 85 1 0 30 86 1 0 33 87 1 0 36 88 1 0 36 89 1 0 36 90 1 0 37 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 38 96 1 0 39 97 1 0 41 98 1 0 41 99 1 0 41100 1 0 42101 1 0 42102 1 0 42103 1 0 43104 1 0 48105 1 0 49106 1 0 50107 1 0 51108 1 0 52109 1 0 56110 1 0 56111 1 0 56112 1 0 57113 1 0 58114 1 0 59115 1 0 59116 1 0 60117 1 0 60118 1 0 61119 1 0 61120 1 0 M END

Standard InCHIKey	XCDIRYDKECHIPE-QHEQPUDQSA-N
Standard InCHI	InChI=1S/C43H53NO14.3H2O/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45;;;/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52);3*1H2/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+;;;/m0.../s1
SMILES	CC1=C2[C@H](C(=O)[C@]3(C)[C@H](C[C@@H]4[C@@](CO4)([C@H]3[C@@H]([C@](C[C@@H]1OC(=O)[C@@H]([C@H](c1ccccc1)N=C(O)OC(C)(C)C)O)(C2(C)C)O)OC(=O)c1ccccc1)OC(=O)C)O)O.O.O.O

Calculated Properties

Physi-Chem Properties

Molecular Weight:	807.35	Volume:	803.368 ? Van der Waals volume.
Dense:	1.005	LogP:	2.545 ? The logarithm of the n-octanol/water distribution coefficients.
logD7.4:	2.576 ? The logarithm of the n-octanol/water distribution coefficient at pH=7.4.	LogS:	-4.665 ? The logarithm of aqueous solubility value.
Rotatable Bonds:	13.0	Rigid Bonds:	37.0
TPSA:	227.94 ? Topological Polar Surface Area.	H-Bond Acceptor:	15.0
H-Bond Donor:	5.0	Rings:	6.0
Heavy Atoms:	15.0

MedChem Properties

QED Drug-Likeness Score:	0.085	GASA:	1.0 ? GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:	6.146	Fsp³:	0.558
MCE-18:	169.403 ? 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:	0.788	Fluc inhibitor:	0.002 ? The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:	0.06 ? The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1	Green fluorescence:	0.248 ? The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:	0.014	Promiscuous compounds:	0.04

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:	-5.194	MDCK Permeability:	-4.701
Pgp-inhibitor:	0.998	Pgp-substrate:	1.0
PAMPA:	1.0 ? 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%):	1.0	30% Bioavailability (F30%):	0.999
50% Bioavailability (F50%):	1.0

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.0	MRP1:	0.996
Plasma Protein Binding (PPB):	95.783%	Volume Distribution (VD):	0.327
Fu:	3.245% ? The fraction unbound in plasms.	OATP1B1 inhibitor:	1.0
OATP1B3 inhibitor:	0.969	BCRP inhibitor:	0.007
BSEP inhibitor:	0.996

ADMET: Metabolism

CYP1A2-inhibitor:	0.0	CYP1A2-substrate:	0.0
CYP2C19-inhibitor:	0.0	CYP2C19-substrate:	0.002
CYP2C9-inhibitor:	0.0	CYP2C9-substrate:	0.0
CYP2D6-inhibitor:	0.0	CYP2D6-substrate:	0.0
CYP3A4-inhibitor:	1.0	CYP3A4-substrate:	0.0
CYP2B6-substrate:	0.0	CYP2C8-inhibitor:	0.998
HLM stability:	0.284 ? 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):

2.604

Half-life (T1/2):

2.404

ADMET: Toxicity

hERG Blockers:	0.005	hERG Blockers (10um):	0.032
Human Hepatotoxicity (H-HT):	1.0	Drug-induced Liver Injury (DILI):	0.995
AMES Toxicity:	0.754	Rat Oral Acute Toxicity:	0.615
Maximum Recommended Daily Dose:	0.9	Skin Sensitization:	1.0
Carcinogencity:	0.082	Eye Corrosion:	0.0
Eye Irritation:	0.054	Respiratory Toxicity:	0.549
Drug-induced Neurotoxicity:	0.912	Ototoxicity:	0.855
Hematotoxicity:	0.683	Drug-induced Nephrotoxicity:	0.999
Genotoxicity:	1.0	RPMI-8226 Immunitoxicity:	0.041
A549 Cytotoxicity:	0.157	Hek293 Cytotoxicity:	0.241
BCF:	0.521 ? 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:	3.352 ? 48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:	5.246 ? 48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].	LC50FM:	4.397 ? 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
NPO40576	Streptomyces sp. 9885	Strain	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	PMID[17206139]
NPO40576	Streptomyces sp. 9885	Strain	Streptomycetaceae	Bacteria	n.a.	n.a.	n.a.	Database[COCONUT]

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
ED50	6
IC50	787
Kd	1
Activity	22
Ratio	23
GI50	25
Inhibition	22
Ratio IC50	6
EC50	2
Ratio EC50	1
Kb	8
TGI	1
CC50	1
Mortality	4
Survival	1

Activity Type	# Activity
Individual protein	2
Cell line	823
Protein family	3
Protein complex	2
Single protein	1
Organism	8
Others	30
Non-molecular	41

Molecular-level activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT285	Individual protein	Epidermal growth factor receptor erbB1	Homo sapiens	Kd	=	0.82	nM	PMID[17261802]
NPT781	Individual protein	Tubulin alpha chain	Sus scrofa	ED50	>	25.0	uM	PMID[7915328]
NPT782	Protein family	Tubulin	Bos taurus	ED50	=	1.14	uM	PMID[7562913]
NPT782	Protein family	Tubulin	Bos taurus	ED50	=	0.51	uM	PMID[7562913]
NPT782	Protein family	Tubulin	Bos taurus	Activity	=	2.4	uM	PMID[25047938]
NPT518	Protein complex	Tubulin	Homo sapiens	IC50	=	500.0	nM	PMID[17064914]
NPT19500	Single protein	Growth hormone-releasing hormone receptor	Homo sapiens	IC50	=	0.14	nM	PMID[17261802]
NPT518	Protein complex	Tubulin	Homo sapiens	Activity	=	0.9	uM	PMID[25426924]

In vitro activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT319	Cell line	B16	Mus musculus	Ratio	=	0.41	n.a.	PMID[7932561]
NPT168	Cell line	P388	Mus musculus	GI50	=	0.00078	ug.mL-1	PMID[12482420]
NPT3859	Cell line	PC-6	Homo sapiens	GI50	=	0.00041	ug.mL-1	PMID[12482420]
NPT681	Cell line	PC-12	Rattus norvegicus	GI50	=	0.0149	ug.mL-1	PMID[12482420]
NPT168	Cell line	P388	Mus musculus	GI50	=	0.00674	ug.mL-1	PMID[9871592]
NPT3859	Cell line	PC-6	Homo sapiens	GI50	=	0.00113	ug.mL-1	PMID[9871592]
NPT681	Cell line	PC-12	Rattus norvegicus	GI50	=	0.0534	ug.mL-1	PMID[9871592]
NPT83	Cell line	MCF7	Homo sapiens	Ratio	=	120.0	n.a.	PMID[10617084]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	1.0	nM	PMID[10617084]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	235.0	nM	PMID[10617084]
NPT83	Cell line	MCF7	Homo sapiens	Ratio	=	235.0	n.a.	PMID[10617084]
NPT5179	Cell line	A121	Homo sapiens	IC50	=	1.2	nM	PMID[8831755]
NPT81	Cell line	A549	Homo sapiens	IC50	=	1.0	nM	PMID[8831755]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	1.2	nM	PMID[8831755]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	1.0	nM	PMID[8831755]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	235.0	nM	PMID[8831755]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	1.2	nM	PMID[8831755]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	122.0	nM	PMID[8831755]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	1.0	nM	PMID[8831755]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	1.4	nM	PMID[8831755]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	3.0	nM	DOI[10.1016/S0960-894X(00)80075-X]
NPT3859	Cell line	PC-6	Homo sapiens	GI50	=	0.00116	ug.mL-1	DOI[10.1016/S0960-894X(97)10128-7]
NPT3859	Cell line	PC-6	Homo sapiens	GI50	=	0.173	ug.mL-1	DOI[10.1016/S0960-894X(97)10128-7]
NPT681	Cell line	PC-12	Rattus norvegicus	GI50	=	0.0191	ug.mL-1	DOI[10.1016/S0960-894X(97)10128-7]
NPT168	Cell line	P388	Mus musculus	GI50	=	0.00162	ug.mL-1	DOI[10.1016/S0960-894X(97)10128-7]
NPT5179	Cell line	A121	Homo sapiens	IC50	=	1.2	nM	DOI[10.1016/S0960-894X(96)00595-1]
NPT81	Cell line	A549	Homo sapiens	IC50	=	1.0	nM	DOI[10.1016/S0960-894X(96)00595-1]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	1.2	nM	DOI[10.1016/S0960-894X(96)00595-1]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	1.0	nM	DOI[10.1016/S0960-894X(96)00595-1]
NPT4247	Cell line	MCF7R	Homo sapiens	IC50	=	235.0	nM	DOI[10.1016/S0960-894X(96)00595-1]
NPT168	Cell line	P388	Mus musculus	IC50	=	0.04	ug.mL-1	DOI[10.1016/0960-894X(95)00118-D]
NPT319	Cell line	B16	Mus musculus	ED50	=	27.0	uM	PMID[7562913]
NPT319	Cell line	B16	Mus musculus	ED50	=	11.0	uM	PMID[7562913]
NPT5179	Cell line	A121	Homo sapiens	IC50	=	1.2	nM	PMID[9022794]
NPT81	Cell line	A549	Homo sapiens	IC50	=	1.0	nM	PMID[9022794]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	1.2	nM	PMID[9022794]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	1.0	nM	PMID[9022794]
NPT4247	Cell line	MCF7R	Homo sapiens	IC50	=	235.0	nM	PMID[9022794]
NPT168	Cell line	P388	Mus musculus	IC50	=	0.13	ug.mL-1	PMID[1672159]
NPT3859	Cell line	PC-6	Homo sapiens	GI50	=	0.000408	ug.mL-1	PMID[11909723]
NPT681	Cell line	PC-12	Rattus norvegicus	GI50	=	0.0117	ug.mL-1	PMID[11909723]
NPT3859	Cell line	PC-6	Homo sapiens	GI50	=	0.0396	ug.mL-1	PMID[11909723]
NPT311	Cell line	SK-LU-1	Homo sapiens	IC50	=	1.8	nM	PMID[10397492]
NPT377	Cell line	OVCAR-3	Homo sapiens	IC50	=	1.2	nM	PMID[10397492]
NPT134	Cell line	SK-BR-3	Homo sapiens	IC50	=	4.7	nM	PMID[10397492]
NPT1183	Cell line	WiDr	Homo sapiens	IC50	=	0.43	nM	PMID[10397492]
NPT5179	Cell line	A121	Homo sapiens	IC50	=	1.2	nM	DOI[10.1016/S0960-894X(01)80568-0]
NPT81	Cell line	A549	Homo sapiens	IC50	=	1.0	nM	DOI[10.1016/S0960-894X(01)80568-0]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	1.2	nM	DOI[10.1016/S0960-894X(01)80568-0]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	1.0	nM	DOI[10.1016/S0960-894X(01)80568-0]
NPT81	Cell line	A549	Homo sapiens	IC50	=	1.0	nM	PMID[12477344]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	1.0	nM	PMID[12477344]
NPT378	Cell line	NCI/ADR-RES	Homo sapiens	IC50	=	235.0	nM	PMID[12477344]
NPT91	Cell line	KB	Homo sapiens	IC50	=	4.4	nM	PMID[12031338]
NPT91	Cell line	KB	Homo sapiens	IC50	=	200.0	nM	PMID[12031338]
NPT81	Cell line	A549	Homo sapiens	IC50	=	4.1	nM	PMID[12031338]
NPT81	Cell line	A549	Homo sapiens	IC50	=	98.0	nM	PMID[12031338]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	7.9	nM	PMID[12031338]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	4200.0	nM	PMID[12031338]
NPT5179	Cell line	A121	Homo sapiens	IC50	=	1.2	nM	PMID[9022793]
NPT81	Cell line	A549	Homo sapiens	IC50	=	1.0	nM	PMID[9022793]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	1.2	nM	PMID[9022793]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	1.0	nM	PMID[9022793]
NPT4247	Cell line	MCF7R	Homo sapiens	IC50	=	235.0	nM	PMID[9022793]
NPT1886	Cell line	J774	Mus musculus	ED50	=	0.05	uM	DOI[10.1016/S0960-894X(01)80527-8]
NPT3859	Cell line	PC-6	Homo sapiens	GI50	=	0.00148	ug.mL-1	PMID[12270153]
NPT681	Cell line	PC-12	Rattus norvegicus	GI50	=	0.0422	ug.mL-1	PMID[12270153]
NPT3859	Cell line	PC-6	Homo sapiens	GI50	=	0.135	ug.mL-1	PMID[12270153]
NPT168	Cell line	P388	Mus musculus	IC50	=	0.008	ug.mL-1	PMID[7914541]
NPT168	Cell line	P388	Mus musculus	IC50	=	1.5	ug.mL-1	PMID[7914541]
NPT168	Cell line	P388	Mus musculus	Ratio	=	0.7	n.a.	DOI[10.1016/S0960-894X(01)80298-5]
NPT168	Cell line	P388	Mus musculus	IC50	=	9.9	nM	DOI[10.1016/S0960-894X(01)80298-5]
NPT168	Cell line	P388	Mus musculus	IC50	=	1860.0	nM	DOI[10.1016/S0960-894X(01)80298-5]
NPT5179	Cell line	A121	Homo sapiens	IC50	=	1.2	nM	DOI[10.1016/S0960-894X(01)80298-5]
NPT81	Cell line	A549	Homo sapiens	IC50	=	1.0	nM	DOI[10.1016/S0960-894X(01)80298-5]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	1.2	nM	DOI[10.1016/S0960-894X(01)80298-5]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	1.0	nM	DOI[10.1016/S0960-894X(01)80298-5]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	235.0	nM	DOI[10.1016/S0960-894X(01)80298-5]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	1.8	nM	PMID[9288161]
NPT3859	Cell line	PC-6	Homo sapiens	GI50	=	0.000408	ug.mL-1	PMID[11212122]
NPT681	Cell line	PC-12	Rattus norvegicus	GI50	=	0.0117	ug.mL-1	PMID[11212122]
NPT3859	Cell line	PC-6	Homo sapiens	GI50	=	0.0396	ug.mL-1	PMID[11212122]
NPT81	Cell line	A549	Homo sapiens	IC50	=	1.0	nM	PMID[15225730]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	1.0	nM	PMID[15225730]
NPT81	Cell line	A549	Homo sapiens	IC50	=	1000.0	nM	PMID[15501062]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	1000.0	nM	PMID[15501062]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.3	nM	PMID[15537348]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	2.2	nM	PMID[15537348]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	1.0	nM	PMID[15537348]
NPT3027	Cell line	MCF7S	Homo sapiens	IC50	=	1.0	nM	PMID[16298526]
NPT4247	Cell line	MCF7R	Homo sapiens	IC50	=	723.0	nM	PMID[16298526]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.1	nM	PMID[17064914]
NPT83	Cell line	MCF7	Homo sapiens	Inhibition	=	20.0	%	PMID[17498961]
NPT91	Cell line	KB	Homo sapiens	Inhibition	=	45.0	%	PMID[17498961]
NPT4247	Cell line	MCF7R	Homo sapiens	Inhibition	=	32.0	%	PMID[17498961]
NPT71	Cell line	HEK293	Homo sapiens	IC50	=	27.0	nM	PMID[17485207]
NPT616	Cell line	MDCK	Canis lupus familiaris	Ratio	>	25.0	n.a.	PMID[17485207]
NPT81	Cell line	A549	Homo sapiens	IC50	>	1.4	ug.mL-1	PMID[17624790]
NPT111	Cell line	K562	Homo sapiens	IC50	=	6.9	ug.mL-1	PMID[17624790]
NPT91	Cell line	KB	Homo sapiens	IC50	=	11.6	ug.mL-1	PMID[17624790]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	3.3	ug.mL-1	PMID[17624790]
NPT1357	Cell line	H22	Mus musculus	Inhibition	=	46.3	%	PMID[17624790]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	4.898	nM	PMID[17890094]
NPT111	Cell line	K562	Homo sapiens	IC50	=	8500.0	nM	PMID[18226907]
NPT306	Cell line	PC-3	Homo sapiens	IC50	=	54800.0	nM	PMID[18226907]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	4000.0	nM	PMID[18226907]
NPT81	Cell line	A549	Homo sapiens	IC50	=	1700.0	nM	PMID[18226907]
NPT3881	Cell line	MX1	Homo sapiens	Inhibition	=	29.0	%	PMID[17261802]
NPT3881	Cell line	MX1	Homo sapiens	Inhibition	=	74.1	%	PMID[17261802]
NPT3881	Cell line	MX1	Homo sapiens	Inhibition	=	58.6	%	PMID[17261802]
NPT91	Cell line	KB	Homo sapiens	IC50	=	1.14	nM	PMID[18181575]
NPT114	Cell line	LoVo	Homo sapiens	IC50	=	1.97	nM	PMID[18181575]
NPT111	Cell line	K562	Homo sapiens	IC50	>	400000.0	nM	PMID[18181575]
NPT65	Cell line	HepG2	Homo sapiens	IC50	>	400000.0	nM	PMID[18181575]
NPT91	Cell line	KB	Homo sapiens	Inhibition	=	71.0	%	PMID[17628214]
NPT116	Cell line	HL-60	Homo sapiens	Inhibition	=	46.0	%	PMID[17628214]
NPT111	Cell line	K562	Homo sapiens	Inhibition	=	32.0	%	PMID[17628214]
NPT2311	Cell line	Calu-3	Homo sapiens	IC50	=	100.0	nM	PMID[19028425]
NPT397	Cell line	NCI-H460	Homo sapiens	IC50	=	9.7	nM	PMID[19028425]
NPT515	Cell line	SGC-7901	Homo sapiens	IC50	=	8.4	nM	PMID[19028425]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	1.0	nM	PMID[18465846]
NPT83	Cell line	MCF7	Homo sapiens	Ratio IC50	=	235.0	n.a.	PMID[18465846]
NPT76	Cell line	C6	Rattus norvegicus	Ratio IC50	=	120.0	n.a.	PMID[18465846]
NPT146	Cell line	SK-OV-3	Homo sapiens	IC50	=	2350.0	nM	PMID[18701281]
NPT659	Cell line	SMMC-7721	Homo sapiens	IC50	=	2730.0	nM	PMID[18701281]
NPT180	Cell line	HCT-8	Homo sapiens	IC50	=	3070.0	nM	PMID[18701281]
NPT306	Cell line	PC-3	Homo sapiens	IC50	=	2770.0	nM	PMID[18701281]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	3290.0	nM	PMID[18701281]
NPT165	Cell line	HeLa	Homo sapiens	IC50	=	3030.0	nM	PMID[18701281]
NPT91	Cell line	KB	Homo sapiens	IC50	=	2350.0	nM	PMID[18701281]
NPT111	Cell line	K562	Homo sapiens	IC50	=	2960.0	nM	PMID[18701281]
NPT146	Cell line	SK-OV-3	Homo sapiens	IC50	=	3.4	nM	PMID[18524425]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	0.6	nM	PMID[19128972]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	290.0	nM	PMID[19128972]
NPT179	Cell line	A2780	Homo sapiens	Ratio IC50	=	483.0	n.a.	PMID[19128972]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.2	nM	PMID[16989521]
NPT91	Cell line	KB	Homo sapiens	IC50	=	2.0	nM	PMID[15921419]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	20.0	nM	PMID[15921419]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	4.0	nM	PMID[15921419]
NPT168	Cell line	P388	Mus musculus	IC50	=	2.0	nM	PMID[18651728]
NPT168	Cell line	P388	Mus musculus	IC50	=	277.0	nM	PMID[18651728]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.2	nM	PMID[19053513]
NPT111	Cell line	K562	Homo sapiens	Inhibition	=	32.0	%	PMID[19232788]
NPT116	Cell line	HL-60	Homo sapiens	Inhibition	=	46.0	%	PMID[19232788]
NPT81	Cell line	A549	Homo sapiens	IC50	=	0.495	nM	PMID[19133778]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	0.334	nM	PMID[19133778]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	1.0	nM	PMID[19239240]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	215.0	nM	PMID[19239240]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	1.0	nM	PMID[19239240]
NPT83	Cell line	MCF7	Homo sapiens	Ratio	=	235.0	n.a.	PMID[19239240]
NPT83	Cell line	MCF7	Homo sapiens	Ratio	=	215.0	n.a.	PMID[19239240]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.15	nM	PMID[19572612]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	0.7	nM	PMID[19572612]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	1.2	nM	PMID[19572612]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.2	nM	PMID[19655762]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	0.5	nM	PMID[19655762]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	0.5	nM	PMID[19655762]
NPT148	Cell line	HCT-15	Homo sapiens	IC50	=	13.0	nM	PMID[19655762]
NPT91	Cell line	KB	Homo sapiens	Inhibition	=	75.0	%	PMID[19356827]
NPT395	Cell line	SF-268	Homo sapiens	Inhibition	=	37.0	%	PMID[19356827]
NPT116	Cell line	HL-60	Homo sapiens	Inhibition	=	19.0	%	PMID[19356827]
NPT83	Cell line	MCF7	Homo sapiens	Inhibition	=	0.0	%	PMID[19356827]
NPT83	Cell line	MCF7	Homo sapiens	Inhibition	=	0.03	%	PMID[19356827]
NPT393	Cell line	HCT-116	Homo sapiens	Inhibition	=	24.0	%	PMID[19356827]
NPT81	Cell line	A549	Homo sapiens	Inhibition	=	14.0	%	PMID[19356827]
NPT306	Cell line	PC-3	Homo sapiens	Inhibition	=	9.0	%	PMID[19356827]
NPT146	Cell line	SK-OV-3	Homo sapiens	Inhibition	=	22.0	%	PMID[19356827]
NPT65	Cell line	HepG2	Homo sapiens	Inhibition	=	0.0	%	PMID[19356827]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.4	nM	PMID[20053482]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	1200.0	nM	PMID[20481544]
NPT91	Cell line	KB	Homo sapiens	IC50	=	150.0	nM	PMID[20481544]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	0.3	nM	PMID[17922005]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	0.23	nM	PMID[17922005]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	0.31	nM	PMID[17922005]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	0.18	nM	PMID[17922005]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	8.7	nM	PMID[17922005]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	0.2	nM	PMID[17922005]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	0.59	nM	PMID[17922005]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	0.35	nM	PMID[17922005]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	0.5	nM	PMID[17206139]
NPT81	Cell line	A549	Homo sapiens	IC50	=	7.2	nM	PMID[17206139]
NPT91	Cell line	KB	Homo sapiens	IC50	=	290.0	nM	PMID[20849074]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	920.0	nM	PMID[20849074]
NPT81	Cell line	A549	Homo sapiens	IC50	=	370.0	nM	PMID[20849074]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	520.0	nM	PMID[20849074]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	0.5	nM	PMID[21142180]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.17	nM	PMID[21142180]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	0.52	nM	PMID[21142180]
NPT146	Cell line	SK-OV-3	Homo sapiens	IC50	=	0.51	nM	PMID[21142180]
NPT306	Cell line	PC-3	Homo sapiens	IC50	=	1.4	nM	PMID[21142180]
NPT81	Cell line	A549	Homo sapiens	IC50	=	1.2	nM	PMID[21470864]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	0.75	nM	PMID[21470864]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.15	nM	PMID[21443172]
NPT91	Cell line	KB	Homo sapiens	IC50	=	15.0	nM	PMID[22050318]
NPT4783	Cell line	SNU-398	Homo sapiens	IC50	=	16.6	nM	PMID[22320354]
NPT659	Cell line	SMMC-7721	Homo sapiens	IC50	=	2.0	nM	PMID[22320354]
NPT181	Cell line	Bel-7402	Homo sapiens	IC50	=	1.9	nM	PMID[22320354]
NPT65	Cell line	HepG2	Homo sapiens	IC50	>	100.0	nM	PMID[22320354]
NPT1229	Cell line	Huh-7	Homo sapiens	IC50	=	12.1	nM	PMID[22320354]
NPT890	Cell line	SNU-387	Homo sapiens	IC50	=	4.3	nM	PMID[22320354]
NPT4783	Cell line	SNU-398	Homo sapiens	IC50	=	17.6	nM	PMID[22320354]
NPT2433	Cell line	SNU-423	Homo sapiens	IC50	=	10.8	nM	PMID[22320354]
NPT2443	Cell line	SNU-449	Homo sapiens	IC50	>	100.0	nM	PMID[22320354]
NPT4613	Cell line	SNU-475	Homo sapiens	IC50	=	20.5	nM	PMID[22320354]
NPT4783	Cell line	SNU-398	Homo sapiens	Activity	=	12.7	%	PMID[22320354]
NPT4783	Cell line	SNU-398	Homo sapiens	Activity	=	72.2	%	PMID[22320354]
NPT4783	Cell line	SNU-398	Homo sapiens	Activity	=	9.3	%	PMID[22320354]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	11900.0	nM	PMID[22560315]
NPT2426	Cell line	HCC1806	Homo sapiens	IC50	=	8400.0	nM	PMID[22560315]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	0.52	nM	PMID[23072299]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.17	nM	PMID[23072299]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	0.5	nM	PMID[23072299]
NPT744	Cell line	IMR-32	Homo sapiens	IC50	=	23.71	ug.mL-1	DOI[10.1007/s00044-013-0582-8]
NPT407	Cell line	COLO 205	Homo sapiens	IC50	=	30.71	ug.mL-1	DOI[10.1007/s00044-013-0582-8]
NPT81	Cell line	A549	Homo sapiens	IC50	=	27.26	ug.mL-1	DOI[10.1007/s00044-013-0582-8]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	88.24	%	PMID[23202849]
NPT2292	Cell line	CAL-33	Homo sapiens	Activity	=	64.1	%	PMID[23202849]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	2.76	%	PMID[23202849]
NPT2292	Cell line	CAL-33	Homo sapiens	Activity	=	15.41	%	PMID[23202849]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	7.85	%	PMID[23202849]
NPT2292	Cell line	CAL-33	Homo sapiens	Activity	=	4.99	%	PMID[23202849]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	0.86	%	PMID[23202849]
NPT2292	Cell line	CAL-33	Homo sapiens	Activity	=	17.11	%	PMID[23202849]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.25	nM	PMID[23387796]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	50.0	nM	PMID[23387796]
NPT2268	Cell line	DOK	Homo sapiens	IC50	=	2.942	nM	DOI[10.6019/CHEMBL1201861]
NPT1899	Cell line	DSH1	Homo sapiens	IC50	=	16.0	nM	DOI[10.6019/CHEMBL1201861]
NPT1900	Cell line	DU-4475	Homo sapiens	IC50	=	3.024	nM	DOI[10.6019/CHEMBL1201861]
NPT1184	Cell line	Daoy	Homo sapiens	IC50	=	0.7004	nM	DOI[10.6019/CHEMBL1201861]
NPT90	Cell line	DU-145	Homo sapiens	IC50	=	11.07	nM	DOI[10.6019/CHEMBL1201861]
NPT394	Cell line	EKVX	Homo sapiens	IC50	=	53.84	nM	DOI[10.6019/CHEMBL1201861]
NPT1901	Cell line	EM-2	Homo sapiens	IC50	=	6.231	nM	DOI[10.6019/CHEMBL1201861]
NPT2269	Cell line	EPLC-272H	Homo sapiens	IC50	=	1.107	nM	DOI[10.6019/CHEMBL1201861]
NPT1905	Cell line	ES4	Homo sapiens	IC50	=	1.552	nM	DOI[10.6019/CHEMBL1201861]
NPT1903	Cell line	ES5	Homo sapiens	IC50	=	0.9103	nM	DOI[10.6019/CHEMBL1201861]
NPT1902	Cell line	ES1	Homo sapiens	IC50	=	0.7701	nM	DOI[10.6019/CHEMBL1201861]
NPT1904	Cell line	ES3	Homo sapiens	IC50	=	2.771	nM	DOI[10.6019/CHEMBL1201861]
NPT2270	Cell line	Detroit562	Homo sapiens	IC50	=	0.9015	nM	DOI[10.6019/CHEMBL1201861]
NPT2271	Cell line	DoTc2-4510	Homo sapiens	IC50	=	54.46	nM	DOI[10.6019/CHEMBL1201861]
NPT1908	Cell line	EC-GI-10	Homo sapiens	IC50	=	0.5921	nM	DOI[10.6019/CHEMBL1201861]
NPT3465	Cell line	ECC10	Homo sapiens	IC50	=	4.597	nM	DOI[10.6019/CHEMBL1201861]
NPT2272	Cell line	EFM-19	Homo sapiens	IC50	=	2.154	nM	DOI[10.6019/CHEMBL1201861]
NPT2273	Cell line	EFO-21	Homo sapiens	IC50	=	11.0	nM	DOI[10.6019/CHEMBL1201861]
NPT2274	Cell line	EFO-27	Homo sapiens	IC50	=	1.023	nM	DOI[10.6019/CHEMBL1201861]
NPT2275	Cell line	EGI-1	Homo sapiens	IC50	=	3.617	nM	DOI[10.6019/CHEMBL1201861]
NPT376	Cell line	A498	Homo sapiens	IC50	=	0.2784	nM	DOI[10.6019/CHEMBL1201861]
NPT81	Cell line	A549	Homo sapiens	IC50	=	0.8816	nM	DOI[10.6019/CHEMBL1201861]
NPT2276	Cell line	A673	Homo sapiens	IC50	=	2.348	nM	DOI[10.6019/CHEMBL1201861]
NPT1081	Cell line	BXPC-3	Homo sapiens	IC50	=	2.507	nM	DOI[10.6019/CHEMBL1201861]
NPT2277	Cell line	C-33-A	Homo sapiens	IC50	=	2.659	nM	DOI[10.6019/CHEMBL1201861]
NPT2278	Cell line	COLO-741	Homo sapiens	IC50	=	8.197	nM	DOI[10.6019/CHEMBL1201861]
NPT2279	Cell line	COLO-792	Homo sapiens	IC50	=	21.96	nM	DOI[10.6019/CHEMBL1201861]
NPT1913	Cell line	DJM-1	Homo sapiens	IC50	=	787.81	nM	DOI[10.6019/CHEMBL1201861]
NPT2280	Cell line	A704	Homo sapiens	IC50	=	14.38	nM	DOI[10.6019/CHEMBL1201861]
NPT2281	Cell line	ABC-1	Homo sapiens	IC50	=	11.46	nM	DOI[10.6019/CHEMBL1201861]
NPT1911	Cell line	C2BBe1	Homo sapiens	IC50	=	1.816	nM	DOI[10.6019/CHEMBL1201861]
NPT2282	Cell line	C32	Homo sapiens	IC50	=	741.12	nM	DOI[10.6019/CHEMBL1201861]
NPT1912	Cell line	COLO-800	Homo sapiens	IC50	=	0.3877	nM	DOI[10.6019/CHEMBL1201861]
NPT1914	Cell line	COLO-824	Homo sapiens	IC50	=	5.896	nM	DOI[10.6019/CHEMBL1201861]
NPT2283	Cell line	DK-MG	Homo sapiens	IC50	=	8.598	nM	DOI[10.6019/CHEMBL1201861]
NPT576	Cell line	DMS-114	Homo sapiens	IC50	=	6.961	nM	DOI[10.6019/CHEMBL1201861]
NPT369	Cell line	ACHN	Homo sapiens	IC50	=	37.1	nM	DOI[10.6019/CHEMBL1201861]
NPT1916	Cell line	ACN	Homo sapiens	IC50	=	6.438	nM	DOI[10.6019/CHEMBL1201861]
NPT2284	Cell line	C3A	Homo sapiens	IC50	=	28.22	nM	DOI[10.6019/CHEMBL1201861]
NPT1452	Cell line	C8166	Homo sapiens	IC50	=	490.23	nM	DOI[10.6019/CHEMBL1201861]
NPT1915	Cell line	COLO-829	Homo sapiens	IC50	=	7.248	nM	DOI[10.6019/CHEMBL1201861]
NPT2285	Cell line	COR-L105	Homo sapiens	IC50	=	379.3	nM	DOI[10.6019/CHEMBL1201861]
NPT1918	Cell line	DMS-79	Homo sapiens	IC50	=	45.79	nM	DOI[10.6019/CHEMBL1201861]
NPT1919	Cell line	DOHH-2	Homo sapiens	IC50	=	6.303	nM	DOI[10.6019/CHEMBL1201861]
NPT196	Cell line	AGS	Homo sapiens	IC50	=	3.277	nM	DOI[10.6019/CHEMBL1201861]
NPT1920	Cell line	ALL-PO	Homo sapiens	IC50	=	8.602	nM	DOI[10.6019/CHEMBL1201861]
NPT308	Cell line	CAKI-1	Homo sapiens	IC50	=	10.73	nM	DOI[10.6019/CHEMBL1201861]
NPT2286	Cell line	CAL-120	Homo sapiens	IC50	=	4.352	nM	DOI[10.6019/CHEMBL1201861]
NPT2287	Cell line	COR-L23	Homo sapiens	IC50	=	2.199	nM	DOI[10.6019/CHEMBL1201861]
NPT1922	Cell line	COR-L88	Homo sapiens	IC50	=	20.54	nM	DOI[10.6019/CHEMBL1201861]
NPT572	Cell line	DMS-273	Homo sapiens	IC50	=	0.6744	nM	DOI[10.6019/CHEMBL1201861]
NPT1924	Cell line	AM-38	Homo sapiens	IC50	=	10.24	nM	DOI[10.6019/CHEMBL1201861]
NPT2288	Cell line	AN3-CA	Homo sapiens	IC50	=	5.069	nM	DOI[10.6019/CHEMBL1201861]
NPT2289	Cell line	CAL-12T	Homo sapiens	IC50	=	3.761	nM	DOI[10.6019/CHEMBL1201861]
NPT2290	Cell line	CAL-27	Homo sapiens	IC50	=	0.3392	nM	DOI[10.6019/CHEMBL1201861]
NPT2291	Cell line	CP50-MEL-B	Homo sapiens	IC50	=	6.929	nM	DOI[10.6019/CHEMBL1201861]
NPT1926	Cell line	CP66-MEL	Homo sapiens	IC50	=	3.004	nM	DOI[10.6019/CHEMBL1201861]
NPT1629	Cell line	CWR22R	Homo sapiens	IC50	=	3.15	nM	DOI[10.6019/CHEMBL1201861]
NPT1928	Cell line	ATN-1	Homo sapiens	IC50	=	174.41	nM	DOI[10.6019/CHEMBL1201861]
NPT2292	Cell line	CAL-33	Homo sapiens	IC50	=	1.044	nM	DOI[10.6019/CHEMBL1201861]
NPT2293	Cell line	CAL-39	Homo sapiens	IC50	=	1.629	nM	DOI[10.6019/CHEMBL1201861]
NPT1930	Cell line	CTB-1	Homo sapiens	IC50	=	1.922	nM	DOI[10.6019/CHEMBL1201861]
NPT2294	Cell line	23132-87	Homo sapiens	IC50	=	1.553	nM	DOI[10.6019/CHEMBL1201861]
NPT2295	Cell line	5637	Homo sapiens	IC50	=	0.1433	nM	DOI[10.6019/CHEMBL1201861]
NPT2296	Cell line	AU565	Homo sapiens	IC50	=	1.808	nM	DOI[10.6019/CHEMBL1201861]
NPT2297	Cell line	ASPC1	Homo sapiens	IC50	=	6.826	nM	DOI[10.6019/CHEMBL1201861]
NPT2298	Cell line	BALL-1	Homo sapiens	IC50	=	66.74	nM	DOI[10.6019/CHEMBL1201861]
NPT2299	Cell line	CAL-51	Homo sapiens	IC50	=	2.707	nM	DOI[10.6019/CHEMBL1201861]
NPT2300	Cell line	CAL-54	Homo sapiens	IC50	=	100.4	nM	DOI[10.6019/CHEMBL1201861]
NPT2301	Cell line	CAL-62	Homo sapiens	IC50	=	0.1849	nM	DOI[10.6019/CHEMBL1201861]
NPT1932	Cell line	CTV-1	Homo sapiens	IC50	=	3.371	nM	DOI[10.6019/CHEMBL1201861]
NPT1933	Cell line	CW-2	Homo sapiens	IC50	=	78.32	nM	DOI[10.6019/CHEMBL1201861]
NPT2302	Cell line	639-V	Homo sapiens	IC50	=	0.6471	nM	DOI[10.6019/CHEMBL1201861]
NPT2303	Cell line	647-V	Homo sapiens	IC50	=	1.842	nM	DOI[10.6019/CHEMBL1201861]
NPT1931	Cell line	BB30-HNC	Homo sapiens	IC50	=	1.049	nM	DOI[10.6019/CHEMBL1201861]
NPT1934	Cell line	BB49-HNC	Homo sapiens	IC50	=	2.119	nM	DOI[10.6019/CHEMBL1201861]
NPT2304	Cell line	CAL-72	Homo sapiens	IC50	=	29.18	nM	DOI[10.6019/CHEMBL1201861]
NPT2305	Cell line	CAL-85-1	Homo sapiens	IC50	=	907.0	nM	DOI[10.6019/CHEMBL1201861]
NPT2306	Cell line	Ca-Ski	Homo sapiens	IC50	=	0.7281	nM	DOI[10.6019/CHEMBL1201861]
NPT1031	Cell line	Ca9-22	Homo sapiens	IC50	=	0.4234	nM	DOI[10.6019/CHEMBL1201861]
NPT1094	Cell line	697	Homo sapiens	IC50	=	1.718	nM	DOI[10.6019/CHEMBL1201861]
NPT2307	Cell line	769-P	Homo sapiens	IC50	=	158.43	nM	DOI[10.6019/CHEMBL1201861]
NPT401	Cell line	786-0	Homo sapiens	IC50	=	7.856	nM	DOI[10.6019/CHEMBL1201861]
NPT1935	Cell line	BB65-RCC	Homo sapiens	IC50	=	3.084	nM	DOI[10.6019/CHEMBL1201861]
NPT2308	Cell line	CAMA-1	Homo sapiens	IC50	=	1.307	nM	DOI[10.6019/CHEMBL1201861]
NPT2309	Cell line	CAPAN-1	Homo sapiens	IC50	=	30.52	nM	DOI[10.6019/CHEMBL1201861]
NPT2310	Cell line	CaR-1	Homo sapiens	IC50	=	3.274	nM	DOI[10.6019/CHEMBL1201861]
NPT2311	Cell line	Calu-3	Homo sapiens	IC50	=	138.16	nM	DOI[10.6019/CHEMBL1201861]
NPT1939	Cell line	8-MG-BA	Homo sapiens	IC50	=	0.5889	nM	DOI[10.6019/CHEMBL1201861]
NPT2312	Cell line	8305C	Homo sapiens	IC50	=	5.758	nM	DOI[10.6019/CHEMBL1201861]
NPT2313	Cell line	BCPAP	Homo sapiens	IC50	=	0.9466	nM	DOI[10.6019/CHEMBL1201861]
NPT1937	Cell line	CAS-1	Homo sapiens	IC50	=	16.09	nM	DOI[10.6019/CHEMBL1201861]
NPT404	Cell line	CCRF-CEM	Homo sapiens	IC50	=	276.14	nM	DOI[10.6019/CHEMBL1201861]
NPT1938	Cell line	Calu-6	Homo sapiens	IC50	=	4.474	nM	DOI[10.6019/CHEMBL1201861]
NPT1313	Cell line	Capan-2	Homo sapiens	IC50	=	53.96	nM	DOI[10.6019/CHEMBL1201861]
NPT1215	Cell line	8505C	Homo sapiens	IC50	=	0.8535	nM	DOI[10.6019/CHEMBL1201861]
NPT1941	Cell line	A101D	Homo sapiens	IC50	=	15.49	nM	DOI[10.6019/CHEMBL1201861]
NPT1940	Cell line	BE-13	Homo sapiens	IC50	=	3.935	nM	DOI[10.6019/CHEMBL1201861]
NPT2314	Cell line	BEN	Homo sapiens	IC50	=	93.85	nM	DOI[10.6019/CHEMBL1201861]
NPT2315	Cell line	BFTC-905	Homo sapiens	IC50	=	0.2684	nM	DOI[10.6019/CHEMBL1201861]
NPT2316	Cell line	CFPAC-1	Homo sapiens	IC50	=	14.06	nM	DOI[10.6019/CHEMBL1201861]
NPT2317	Cell line	ChaGo-K-1	Homo sapiens	IC50	=	9.883	nM	DOI[10.6019/CHEMBL1201861]
NPT1944	Cell line	D-247MG	Homo sapiens	IC50	=	1.73	nM	DOI[10.6019/CHEMBL1201861]
NPT2318	Cell line	A172	Homo sapiens	IC50	=	1.628	nM	DOI[10.6019/CHEMBL1201861]
NPT2319	Cell line	A204	Homo sapiens	IC50	=	9.339	nM	DOI[10.6019/CHEMBL1201861]
NPT2320	Cell line	BFTC-909	Homo sapiens	IC50	=	2.252	nM	DOI[10.6019/CHEMBL1201861]
NPT2321	Cell line	BHT-101	Homo sapiens	IC50	=	9.799	nM	DOI[10.6019/CHEMBL1201861]
NPT1943	Cell line	CGTH-W-1	Homo sapiens	IC50	=	0.5421	nM	DOI[10.6019/CHEMBL1201861]
NPT2322	Cell line	CHL-1	Homo sapiens	IC50	=	0.9583	nM	DOI[10.6019/CHEMBL1201861]
NPT1946	Cell line	D-263MG	Homo sapiens	IC50	=	0.9466	nM	DOI[10.6019/CHEMBL1201861]
NPT1383	Cell line	A2058	Homo sapiens	IC50	=	0.5439	nM	DOI[10.6019/CHEMBL1201861]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	3.353	nM	DOI[10.6019/CHEMBL1201861]
NPT2323	Cell line	BHY	Homo sapiens	IC50	=	2.16	nM	DOI[10.6019/CHEMBL1201861]
NPT2324	Cell line	CHP-212	Homo sapiens	IC50	=	0.7298	nM	DOI[10.6019/CHEMBL1201861]
NPT1947	Cell line	D283 Med	n.a.	IC50	=	6.239	nM	DOI[10.6019/CHEMBL1201861]
NPT1953	Cell line	D-336MG	Homo sapiens	IC50	=	1.69	nM	DOI[10.6019/CHEMBL1201861]
NPT1954	Cell line	D-392MG	Homo sapiens	IC50	=	20.68	nM	DOI[10.6019/CHEMBL1201861]
NPT1955	Cell line	A3-KAW	Homo sapiens	IC50	=	334.77	nM	DOI[10.6019/CHEMBL1201861]
NPT1083	Cell line	A-375	Homo sapiens	IC50	=	1.208	nM	DOI[10.6019/CHEMBL1201861]
NPT2325	Cell line	BPH-1	Homo sapiens	IC50	=	1.022	nM	DOI[10.6019/CHEMBL1201861]
NPT2326	Cell line	BT-20	Homo sapiens	IC50	=	3.758	nM	DOI[10.6019/CHEMBL1201861]
NPT1952	Cell line	COLO-320-HSR	Homo sapiens	IC50	=	439.76	nM	DOI[10.6019/CHEMBL1201861]
NPT1956	Cell line	COLO-668	Homo sapiens	IC50	=	38.87	nM	DOI[10.6019/CHEMBL1201861]
NPT2327	Cell line	D-423MG	Homo sapiens	IC50	=	1.298	nM	DOI[10.6019/CHEMBL1201861]
NPT1957	Cell line	D-502MG	Homo sapiens	IC50	=	4.102	nM	DOI[10.6019/CHEMBL1201861]
NPT1958	Cell line	A388	Homo sapiens	IC50	=	2.652	nM	DOI[10.6019/CHEMBL1201861]
NPT1959	Cell line	A4-Fuk	Homo sapiens	IC50	=	3.9	nM	DOI[10.6019/CHEMBL1201861]
NPT845	Cell line	BT-474	Homo sapiens	IC50	=	19.43	nM	DOI[10.6019/CHEMBL1201861]
NPT2328	Cell line	COLO-678	Homo sapiens	IC50	=	370.02	nM	DOI[10.6019/CHEMBL1201861]
NPT2329	Cell line	COLO-679	Homo sapiens	IC50	=	621.72	nM	DOI[10.6019/CHEMBL1201861]
NPT1961	Cell line	D-542MG	Homo sapiens	IC50	=	162.78	nM	DOI[10.6019/CHEMBL1201861]
NPT2330	Cell line	D-566MG	Homo sapiens	IC50	=	0.1823	nM	DOI[10.6019/CHEMBL1201861]
NPT2331	Cell line	A-427	Homo sapiens	IC50	=	1.485	nM	DOI[10.6019/CHEMBL1201861]
NPT762	Cell line	A-431	Homo sapiens	IC50	=	63.74	nM	DOI[10.6019/CHEMBL1201861]
NPT1960	Cell line	BV-173	Homo sapiens	IC50	=	5.3	nM	DOI[10.6019/CHEMBL1201861]
NPT1963	Cell line	Becker	Homo sapiens	IC50	=	1.826	nM	DOI[10.6019/CHEMBL1201861]
NPT2332	Cell line	COLO-680N	Homo sapiens	IC50	=	5.08	nM	DOI[10.6019/CHEMBL1201861]
NPT1964	Cell line	COLO-684	Homo sapiens	IC50	=	40.95	nM	DOI[10.6019/CHEMBL1201861]
NPT1962	Cell line	DB	Homo sapiens	IC50	=	1.778	nM	DOI[10.6019/CHEMBL1201861]
NPT2333	Cell line	DBTRG-05MG	Homo sapiens	IC50	=	9.166	nM	DOI[10.6019/CHEMBL1201861]
NPT1965	Cell line	DEL	Homo sapiens	IC50	=	3.012	nM	DOI[10.6019/CHEMBL1201861]
NPT2334	Cell line	NCI-H1793	Homo sapiens	IC50	=	50.93	nM	DOI[10.6019/CHEMBL1201861]
NPT1966	Cell line	NCI-H1838	Homo sapiens	IC50	=	317.84	nM	DOI[10.6019/CHEMBL1201861]
NPT1967	Cell line	NCI-H526	Homo sapiens	IC50	=	1.762	nM	DOI[10.6019/CHEMBL1201861]
NPT2335	Cell line	NCI-H596	n.a.	IC50	=	14.77	nM	DOI[10.6019/CHEMBL1201861]
NPT2336	Cell line	OE19	Homo sapiens	IC50	=	5.591	nM	DOI[10.6019/CHEMBL1201861]
NPT2337	Cell line	OE33	Homo sapiens	IC50	=	13.0	nM	DOI[10.6019/CHEMBL1201861]
NPT1091	Cell line	RPMI-7951	Homo sapiens	IC50	=	0.448	nM	DOI[10.6019/CHEMBL1201861]
NPT389	Cell line	RPMI-8226	Homo sapiens	IC50	=	4.97	nM	DOI[10.6019/CHEMBL1201861]
NPT311	Cell line	SK-LU-1	Homo sapiens	IC50	=	13.24	nM	DOI[10.6019/CHEMBL1201861]
NPT926	Cell line	SK-MEL-1	Homo sapiens	IC50	=	58.0	nM	DOI[10.6019/CHEMBL1201861]
NPT1312	Cell line	SW1990	Homo sapiens	IC50	=	10.47	nM	DOI[10.6019/CHEMBL1201861]
NPT2338	Cell line	SW48	Homo sapiens	IC50	=	1.01	nM	DOI[10.6019/CHEMBL1201861]
NPT2339	Cell line	TGBC24TKB	Homo sapiens	IC50	=	7.807	nM	DOI[10.6019/CHEMBL1201861]
NPT1971	Cell line	GI-1	Homo sapiens	IC50	=	0.5276	nM	DOI[10.6019/CHEMBL1201861]
NPT2204	Cell line	HH	Homo sapiens	IC50	=	29.98	nM	DOI[10.6019/CHEMBL1201861]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	3.585	nM	DOI[10.6019/CHEMBL1201861]
NPT1973	Cell line	IST-SL1	Homo sapiens	IC50	=	3.124	nM	DOI[10.6019/CHEMBL1201861]
NPT1975	Cell line	KS-1	Homo sapiens	IC50	=	1.441	nM	DOI[10.6019/CHEMBL1201861]
NPT2340	Cell line	KU-19-19	Homo sapiens	IC50	=	63.61	nM	DOI[10.6019/CHEMBL1201861]
NPT1976	Cell line	LNCaP-Clone-FGC	Homo sapiens	IC50	=	1.096	nM	DOI[10.6019/CHEMBL1201861]
NPT2209	Cell line	MFH-ino	Homo sapiens	IC50	=	85.01	nM	DOI[10.6019/CHEMBL1201861]
NPT1978	Cell line	MFM-223	Homo sapiens	IC50	=	6.156	nM	DOI[10.6019/CHEMBL1201861]
NPT2211	Cell line	NB12	Homo sapiens	IC50	=	27.2	nM	DOI[10.6019/CHEMBL1201861]
NPT1979	Cell line	NB13	Homo sapiens	IC50	=	1.067	nM	DOI[10.6019/CHEMBL1201861]
NPT2342	Cell line	NCI-H630	Homo sapiens	IC50	=	293.76	nM	DOI[10.6019/CHEMBL1201861]
NPT2343	Cell line	NCI-H650	Homo sapiens	IC50	=	2.251	nM	DOI[10.6019/CHEMBL1201861]
NPT1968	Cell line	OMC-1	Homo sapiens	IC50	=	9.055	nM	DOI[10.6019/CHEMBL1201861]
NPT1984	Cell line	ONS-76	Homo sapiens	IC50	=	3.217	nM	DOI[10.6019/CHEMBL1201861]
NPT1987	Cell line	RPMI-8866	Homo sapiens	IC50	=	2.813	nM	DOI[10.6019/CHEMBL1201861]
NPT147	Cell line	SK-MEL-2	Homo sapiens	IC50	=	1.701	nM	DOI[10.6019/CHEMBL1201861]
NPT2344	Cell line	SK-MEL-24	Homo sapiens	IC50	=	383.82	nM	DOI[10.6019/CHEMBL1201861]
NPT323	Cell line	SW-620	Homo sapiens	IC50	=	3.968	nM	DOI[10.6019/CHEMBL1201861]
NPT2345	Cell line	SW626	Homo sapiens	IC50	=	6.237	nM	DOI[10.6019/CHEMBL1201861]
NPT2346	Cell line	TI-73	Homo sapiens	IC50	=	1.443	nM	DOI[10.6019/CHEMBL1201861]
NPT384	Cell line	TK-10	Homo sapiens	IC50	=	9.771	nM	DOI[10.6019/CHEMBL1201861]
NPT1972	Cell line	GI-ME-N	Homo sapiens	IC50	=	3.577	nM	DOI[10.6019/CHEMBL1201861]
NPT2347	Cell line	GMS-10	Homo sapiens	IC50	=	0.9406	nM	DOI[10.6019/CHEMBL1201861]
NPT2348	Cell line	HLE	Homo sapiens	IC50	=	4.049	nM	DOI[10.6019/CHEMBL1201861]
NPT2349	Cell line	HMV-2 cell line	n.a.	IC50	=	90.1	nM	DOI[10.6019/CHEMBL1201861]
NPT2350	Cell line	HN	Homo sapiens	IC50	=	0.7581	nM	DOI[10.6019/CHEMBL1201861]
NPT1990	Cell line	J-RT3-T3-5	Homo sapiens	IC50	=	2.352	nM	DOI[10.6019/CHEMBL1201861]
NPT1505	Cell line	J82	Homo sapiens	IC50	=	13.9	nM	DOI[10.6019/CHEMBL1201861]
NPT1991	Cell line	KU812 cell line	n.a.	IC50	=	11.98	nM	DOI[10.6019/CHEMBL1201861]
NPT390	Cell line	LOX IMVI	Homo sapiens	IC50	=	1.164	nM	DOI[10.6019/CHEMBL1201861]
NPT2351	Cell line	MG-63	Homo sapiens	IC50	=	1.507	nM	DOI[10.6019/CHEMBL1201861]
NPT2352	Cell line	MHH-ES-1	Homo sapiens	IC50	=	0.6999	nM	DOI[10.6019/CHEMBL1201861]
NPT1980	Cell line	NB14	Homo sapiens	IC50	=	0.26	nM	DOI[10.6019/CHEMBL1201861]
NPT1995	Cell line	NB17	Homo sapiens	IC50	=	1.895	nM	DOI[10.6019/CHEMBL1201861]
NPT2353	Cell line	NCI-H1993	Homo sapiens	IC50	=	1192.89	nM	DOI[10.6019/CHEMBL1201861]
NPT2355	Cell line	NCI-H2029	Homo sapiens	IC50	=	202.43	nM	DOI[10.6019/CHEMBL1201861]
NPT2356	Cell line	NCI-H661	Homo sapiens	IC50	=	10.05	nM	DOI[10.6019/CHEMBL1201861]
NPT1396	Cell line	NCI-H69	Homo sapiens	IC50	=	48.49	nM	DOI[10.6019/CHEMBL1201861]
NPT1997	Cell line	OS-RC-2	Homo sapiens	IC50	=	38.69	nM	DOI[10.6019/CHEMBL1201861]
NPT1998	Cell line	RS4-11	Homo sapiens	IC50	=	15.16	nM	DOI[10.6019/CHEMBL1201861]
NPT2357	Cell line	RT-112	Homo sapiens	IC50	=	1.187	nM	DOI[10.6019/CHEMBL1201861]
NPT170	Cell line	SK-MEL-28	Homo sapiens	IC50	=	2.026	nM	DOI[10.6019/CHEMBL1201861]
NPT2358	Cell line	SK-MEL3	Homo sapiens	IC50	=	57.88	nM	DOI[10.6019/CHEMBL1201861]
NPT2359	Cell line	SK-MEL-30	Homo sapiens	IC50	=	7.323	nM	DOI[10.6019/CHEMBL1201861]
NPT1988	Cell line	SW684	Homo sapiens	IC50	=	14.52	nM	DOI[10.6019/CHEMBL1201861]
NPT2360	Cell line	SW756	Homo sapiens	IC50	=	2.161	nM	DOI[10.6019/CHEMBL1201861]
NPT2361	Cell line	SW780	Homo sapiens	IC50	=	0.5865	nM	DOI[10.6019/CHEMBL1201861]
NPT2362	Cell line	TYK-nu	Homo sapiens	IC50	=	2.324	nM	DOI[10.6019/CHEMBL1201861]
NPT2363	Cell line	U-118-MG	Homo sapiens	IC50	=	14.7	nM	DOI[10.6019/CHEMBL1201861]
NPT1989	Cell line	GOTO	Homo sapiens	IC50	=	2.27	nM	DOI[10.6019/CHEMBL1201861]
NPT2364	Cell line	GP5d	Homo sapiens	IC50	=	2.96	nM	DOI[10.6019/CHEMBL1201861]
NPT2365	Cell line	HO-1-N-1	Homo sapiens	IC50	=	0.2813	nM	DOI[10.6019/CHEMBL1201861]
NPT379	Cell line	HOP-62	Homo sapiens	IC50	=	76.76	nM	DOI[10.6019/CHEMBL1201861]
NPT2001	Cell line	JAR	Homo sapiens	IC50	=	4.368	nM	DOI[10.6019/CHEMBL1201861]
NPT2366	Cell line	JEG-3	Homo sapiens	IC50	=	2.816	nM	DOI[10.6019/CHEMBL1201861]
NPT1992	Cell line	KURAMOCHI	Homo sapiens	IC50	=	70.73	nM	DOI[10.6019/CHEMBL1201861]
NPT2002	Cell line	KY821	Homo sapiens	IC50	=	5.509	nM	DOI[10.6019/CHEMBL1201861]
NPT2367	Cell line	KYSE-140	Homo sapiens	IC50	=	0.9328	nM	DOI[10.6019/CHEMBL1201861]
NPT2003	Cell line	LS-1034	Homo sapiens	IC50	=	73.69	nM	DOI[10.6019/CHEMBL1201861]
NPT2004	Cell line	LS-123	Homo sapiens	IC50	=	4.248	nM	DOI[10.6019/CHEMBL1201861]
NPT2005	Cell line	MHH-NB-11	Homo sapiens	IC50	=	46.14	nM	DOI[10.6019/CHEMBL1201861]
NPT1996	Cell line	NB5	Homo sapiens	IC50	=	18.91	nM	DOI[10.6019/CHEMBL1201861]
NPT2007	Cell line	NB6	Homo sapiens	IC50	=	39.52	nM	DOI[10.6019/CHEMBL1201861]
NPT2368	Cell line	NCI-H2030	Homo sapiens	IC50	=	12.54	nM	DOI[10.6019/CHEMBL1201861]
NPT2369	Cell line	NCI-H2052	Homo sapiens	IC50	=	7.268	nM	DOI[10.6019/CHEMBL1201861]
NPT377	Cell line	OVCAR-3	Homo sapiens	IC50	=	4.073	nM	DOI[10.6019/CHEMBL1201861]
NPT456	Cell line	OVCAR-4	Homo sapiens	IC50	=	5.856	nM	DOI[10.6019/CHEMBL1201861]
NPT2370	Cell line	RVH-421	Homo sapiens	IC50	=	4.615	nM	DOI[10.6019/CHEMBL1201861]
NPT406	Cell line	RXF 393	Homo sapiens	IC50	=	2.215	nM	DOI[10.6019/CHEMBL1201861]
NPT1506	Cell line	SK-MES-1	Homo sapiens	IC50	=	2.325	nM	DOI[10.6019/CHEMBL1201861]
NPT2371	Cell line	SW837	Homo sapiens	IC50	=	83.42	nM	DOI[10.6019/CHEMBL1201861]
NPT2014	Cell line	SW872	Homo sapiens	IC50	=	18.67	nM	DOI[10.6019/CHEMBL1201861]
NPT1045	Cell line	U2OS	Homo sapiens	IC50	=	1.752	nM	DOI[10.6019/CHEMBL1201861]
NPT2015	Cell line	U-266	Homo sapiens	IC50	=	3.476	nM	DOI[10.6019/CHEMBL1201861]
NPT2016	Cell line	ES6	Homo sapiens	IC50	=	20.08	nM	DOI[10.6019/CHEMBL1201861]
NPT2017	Cell line	ES7	Homo sapiens	IC50	=	0.3885	nM	DOI[10.6019/CHEMBL1201861]
NPT2000	Cell line	GR-ST	Homo sapiens	IC50	=	31.85	nM	DOI[10.6019/CHEMBL1201861]
NPT2018	Cell line	GT3TKB	Homo sapiens	IC50	=	0.2324	nM	DOI[10.6019/CHEMBL1201861]
NPT2372	Cell line	H-EMC-SS	Homo sapiens	IC50	=	705.46	nM	DOI[10.6019/CHEMBL1201861]
NPT372	Cell line	HOP-92	Homo sapiens	IC50	=	7.296	nM	DOI[10.6019/CHEMBL1201861]
NPT307	Cell line	HOS	Homo sapiens	IC50	=	0.7822	nM	DOI[10.6019/CHEMBL1201861]
NPT2019	Cell line	JVM-2	Homo sapiens	IC50	=	97.16	nM	DOI[10.6019/CHEMBL1201861]
NPT2020	Cell line	JVM-3	Homo sapiens	IC50	=	2.331	nM	DOI[10.6019/CHEMBL1201861]
NPT2373	Cell line	KYSE-150 cell line	n.a.	IC50	=	4.987	nM	DOI[10.6019/CHEMBL1201861]
NPT2374	Cell line	KYSE-180	Homo sapiens	IC50	=	1.354	nM	DOI[10.6019/CHEMBL1201861]
NPT2021	Cell line	LS-411N	Homo sapiens	IC50	=	3.139	nM	DOI[10.6019/CHEMBL1201861]
NPT2006	Cell line	MHH-PREB-1	Homo sapiens	IC50	=	1.89	nM	DOI[10.6019/CHEMBL1201861]
NPT783	Cell line	MIA PaCa-2	Homo sapiens	IC50	=	3.241	nM	DOI[10.6019/CHEMBL1201861]
NPT2375	Cell line	MKN-1	Homo sapiens	IC50	=	25.76	nM	DOI[10.6019/CHEMBL1201861]
NPT2008	Cell line	NB69	Homo sapiens	IC50	=	6.293	nM	DOI[10.6019/CHEMBL1201861]
NPT2023	Cell line	NB7	Homo sapiens	IC50	=	12.43	nM	DOI[10.6019/CHEMBL1201861]
NPT2376	Cell line	NBsusSR	Homo sapiens	IC50	=	1.096	nM	DOI[10.6019/CHEMBL1201861]
NPT2377	Cell line	NCI-H2087	Homo sapiens	IC50	=	7.481	nM	DOI[10.6019/CHEMBL1201861]
NPT2024	Cell line	NCI-H209	Homo sapiens	IC50	=	2.862	nM	DOI[10.6019/CHEMBL1201861]
NPT2012	Cell line	NCI-H720	Homo sapiens	IC50	=	0.5801	nM	DOI[10.6019/CHEMBL1201861]
NPT2378	Cell line	NCI-H727	Homo sapiens	IC50	=	24.74	nM	DOI[10.6019/CHEMBL1201861]
NPT2025	Cell line	NCI-H747	Homo sapiens	IC50	=	28.37	nM	DOI[10.6019/CHEMBL1201861]
NPT382	Cell line	OVCAR-5	Homo sapiens	IC50	=	1.994	nM	DOI[10.6019/CHEMBL1201861]
NPT381	Cell line	OVCAR-8	Homo sapiens	IC50	=	2.118	nM	DOI[10.6019/CHEMBL1201861]
NPT2379	Cell line	P12-Ichikawa	Homo sapiens	IC50	=	0.7452	nM	DOI[10.6019/CHEMBL1201861]
NPT2026	Cell line	Ramos-2G6-4C10	Homo sapiens	IC50	=	50.67	nM	DOI[10.6019/CHEMBL1201861]
NPT2380	Cell line	SK-N-AS	Homo sapiens	IC50	=	5.352	nM	DOI[10.6019/CHEMBL1201861]
NPT2027	Cell line	SK-N-DZ	Homo sapiens	IC50	=	9.828	nM	DOI[10.6019/CHEMBL1201861]
NPT2381	Cell line	SW900	Homo sapiens	IC50	=	7.55	nM	DOI[10.6019/CHEMBL1201861]
NPT2382	Cell line	SW948	Homo sapiens	IC50	=	59.96	nM	DOI[10.6019/CHEMBL1201861]
NPT1535	Cell line	U-87 MG	Homo sapiens	IC50	=	3.547	nM	DOI[10.6019/CHEMBL1201861]
NPT2031	Cell line	ES8	Homo sapiens	IC50	=	0.2599	nM	DOI[10.6019/CHEMBL1201861]
NPT2891	Cell line	H4	Homo sapiens	IC50	=	1.963	nM	DOI[10.6019/CHEMBL1201861]
NPT759	Cell line	H9	Homo sapiens	IC50	=	1.245	nM	DOI[10.6019/CHEMBL1201861]
NPT2384	Cell line	HPAF-II	Homo sapiens	IC50	=	9.262	nM	DOI[10.6019/CHEMBL1201861]
NPT924	Cell line	HSC-2	Homo sapiens	IC50	=	0.7545	nM	DOI[10.6019/CHEMBL1201861]
NPT2385	Cell line	HSC-3	Homo sapiens	IC50	=	0.1315	nM	DOI[10.6019/CHEMBL1201861]
NPT111	Cell line	K562	Homo sapiens	IC50	=	770.24	nM	DOI[10.6019/CHEMBL1201861]
NPT2386	Cell line	KYSE-270	Homo sapiens	IC50	=	2.776	nM	DOI[10.6019/CHEMBL1201861]
NPT2387	Cell line	KYSE-410	Homo sapiens	IC50	=	1.235	nM	DOI[10.6019/CHEMBL1201861]
NPT2022	Cell line	LS-513	Homo sapiens	IC50	=	287.73	nM	DOI[10.6019/CHEMBL1201861]
NPT2034	Cell line	LU-134-A	Homo sapiens	IC50	=	11.02	nM	DOI[10.6019/CHEMBL1201861]
NPT2388	Cell line	LU-135	Homo sapiens	IC50	=	277.39	nM	DOI[10.6019/CHEMBL1201861]
NPT1179	Cell line	MKN-28	Homo sapiens	IC50	=	3.172	nM	DOI[10.6019/CHEMBL1201861]
NPT1097	Cell line	MKN-45	Homo sapiens	IC50	=	4.53	nM	DOI[10.6019/CHEMBL1201861]
NPT2389	Cell line	NCI-H1048	Homo sapiens	IC50	=	1.919	nM	DOI[10.6019/CHEMBL1201861]
NPT2390	Cell line	NCI-H2122	Homo sapiens	IC50	=	1.84	nM	DOI[10.6019/CHEMBL1201861]
NPT1082	Cell line	NCI-H2126	Homo sapiens	IC50	=	7.728	nM	DOI[10.6019/CHEMBL1201861]
NPT2391	Cell line	NCI-H810	Homo sapiens	IC50	=	6.222	nM	DOI[10.6019/CHEMBL1201861]
NPT2040	Cell line	P30-OHK	Homo sapiens	IC50	=	61.67	nM	DOI[10.6019/CHEMBL1201861]
NPT2392	Cell line	S-117	Homo sapiens	IC50	=	4.855	nM	DOI[10.6019/CHEMBL1201861]
NPT2393	Cell line	SAS	Homo sapiens	IC50	=	1.336	nM	DOI[10.6019/CHEMBL1201861]
NPT2028	Cell line	SK-N-FI	Homo sapiens	IC50	=	95.56	nM	DOI[10.6019/CHEMBL1201861]
NPT2043	Cell line	SK-NEP-1	Homo sapiens	IC50	=	1.759	nM	DOI[10.6019/CHEMBL1201861]
NPT2029	Cell line	SW 954	Homo sapiens	IC50	=	0.8228	nM	DOI[10.6019/CHEMBL1201861]
NPT2044	Cell line	SW 962	Homo sapiens	IC50	=	2.929	nM	DOI[10.6019/CHEMBL1201861]
NPT371	Cell line	UO-31	Homo sapiens	IC50	=	3.075	nM	DOI[10.6019/CHEMBL1201861]
NPT380	Cell line	U-251	Homo sapiens	IC50	=	2.496	nM	DOI[10.6019/CHEMBL1201861]
NPT2383	Cell line	ESS-1	Homo sapiens	IC50	=	0.1787	nM	DOI[10.6019/CHEMBL1201861]
NPT2045	Cell line	ETK-1	Homo sapiens	IC50	=	0.5581	nM	DOI[10.6019/CHEMBL1201861]
NPT2032	Cell line	HAL-01	Homo sapiens	IC50	=	662.2	nM	DOI[10.6019/CHEMBL1201861]
NPT2047	Cell line	HC-1	Homo sapiens	IC50	=	6.561	nM	DOI[10.6019/CHEMBL1201861]
NPT2394	Cell line	HSC-4	Homo sapiens	IC50	=	0.2385	nM	DOI[10.6019/CHEMBL1201861]
NPT2049	Cell line	HT	Homo sapiens	IC50	=	40.07	nM	DOI[10.6019/CHEMBL1201861]
NPT2051	Cell line	K5	Homo sapiens	IC50	=	0.7779	nM	DOI[10.6019/CHEMBL1201861]
NPT2395	Cell line	KYSE-450	Homo sapiens	IC50	=	1.432	nM	DOI[10.6019/CHEMBL1201861]
NPT2396	Cell line	KYSE-510	Homo sapiens	IC50	=	0.8402	nM	DOI[10.6019/CHEMBL1201861]
NPT2397	Cell line	KYSE-520 cell line	n.a.	IC50	=	7.002	nM	DOI[10.6019/CHEMBL1201861]
NPT2053	Cell line	LU-139	Homo sapiens	IC50	=	11.66	nM	DOI[10.6019/CHEMBL1201861]
NPT2398	Cell line	MKN-7	Homo sapiens	IC50	=	12.83	nM	DOI[10.6019/CHEMBL1201861]
NPT2055	Cell line	ML-2	Homo sapiens	IC50	=	10.29	nM	DOI[10.6019/CHEMBL1201861]
NPT2036	Cell line	NCI-H1092	Homo sapiens	IC50	=	26.54	nM	DOI[10.6019/CHEMBL1201861]
NPT2057	Cell line	NCI-H1155	Homo sapiens	IC50	=	24.77	nM	DOI[10.6019/CHEMBL1201861]
NPT2399	Cell line	NCI-H2170	Homo sapiens	IC50	=	5.348	nM	DOI[10.6019/CHEMBL1201861]
NPT2039	Cell line	NCI-H82	Homo sapiens	IC50	=	8.216	nM	DOI[10.6019/CHEMBL1201861]
NPT2400	Cell line	PA-1	Homo sapiens	IC50	=	0.6873	nM	DOI[10.6019/CHEMBL1201861]
NPT2401	Cell line	PANC-03-27	Homo sapiens	IC50	=	1.537	nM	DOI[10.6019/CHEMBL1201861]
NPT2402	Cell line	PANC-08-13	Homo sapiens	IC50	=	24.65	nM	DOI[10.6019/CHEMBL1201861]
NPT2042	Cell line	SBC-1	Homo sapiens	IC50	=	0.4297	nM	DOI[10.6019/CHEMBL1201861]
NPT2403	Cell line	SBC-5	Homo sapiens	IC50	=	1.874	nM	DOI[10.6019/CHEMBL1201861]
NPT146	Cell line	SK-OV-3	Homo sapiens	IC50	=	1220.89	nM	DOI[10.6019/CHEMBL1201861]
NPT2063	Cell line	SK-PN-DW	Homo sapiens	IC50	=	1.941	nM	DOI[10.6019/CHEMBL1201861]
NPT2404	Cell line	SW982	Homo sapiens	IC50	=	1.27	nM	DOI[10.6019/CHEMBL1201861]
NPT2405	Cell line	SAOS-2	Homo sapiens	IC50	=	1.68	nM	DOI[10.6019/CHEMBL1201861]
NPT403	Cell line	UACC-257	Homo sapiens	IC50	=	30.3	nM	DOI[10.6019/CHEMBL1201861]
NPT398	Cell line	UACC-62	Homo sapiens	IC50	=	3.3	nM	DOI[10.6019/CHEMBL1201861]
NPT2065	Cell line	EW-1	Homo sapiens	IC50	=	2.982	nM	DOI[10.6019/CHEMBL1201861]
NPT2406	Cell line	HCC1395	Homo sapiens	IC50	=	10.56	nM	DOI[10.6019/CHEMBL1201861]
NPT2407	Cell line	HCC1419	Homo sapiens	IC50	=	89.87	nM	DOI[10.6019/CHEMBL1201861]
NPT453	Cell line	HT-1080	Homo sapiens	IC50	=	0.5011	nM	DOI[10.6019/CHEMBL1201861]
NPT658	Cell line	HT1197	Homo sapiens	IC50	=	10.84	nM	DOI[10.6019/CHEMBL1201861]
NPT2052	Cell line	KALS-1	Homo sapiens	IC50	=	1.813	nM	DOI[10.6019/CHEMBL1201861]
NPT2067	Cell line	KARPAS-299	Homo sapiens	IC50	=	65.82	nM	DOI[10.6019/CHEMBL1201861]
NPT2408	Cell line	KYSE-70 cell line	n.a.	IC50	=	6.244	nM	DOI[10.6019/CHEMBL1201861]
NPT2068	Cell line	L-363	Homo sapiens	IC50	=	3.76	nM	DOI[10.6019/CHEMBL1201861]
NPT2069	Cell line	Lu-65	Homo sapiens	IC50	=	39.04	nM	DOI[10.6019/CHEMBL1201861]
NPT2409	Cell line	LU-99A	Homo sapiens	IC50	=	12.0	nM	DOI[10.6019/CHEMBL1201861]
NPT2056	Cell line	MLMA	Homo sapiens	IC50	=	3.551	nM	DOI[10.6019/CHEMBL1201861]
NPT2071	Cell line	MMAC-SF	Homo sapiens	IC50	=	5.858	nM	DOI[10.6019/CHEMBL1201861]
NPT2410	Cell line	NCI-H1299	Homo sapiens	IC50	=	8.574	nM	DOI[10.6019/CHEMBL1201861]
NPT2073	Cell line	NCI-H1304	Homo sapiens	IC50	=	160.61	nM	DOI[10.6019/CHEMBL1201861]
NPT465	Cell line	NCI-N87	Homo sapiens	IC50	=	10.93	nM	DOI[10.6019/CHEMBL1201861]
NPT788	Cell line	SNU1	Homo sapiens	IC50	=	1.969	nM	DOI[10.6019/CHEMBL1201861]
NPT2412	Cell line	Panc1005	Homo sapiens	IC50	=	10.56	nM	DOI[10.6019/CHEMBL1201861]
NPT2413	Cell line	PC-14	Homo sapiens	IC50	=	2.092	nM	DOI[10.6019/CHEMBL1201861]
NPT2062	Cell line	SCC-15	Homo sapiens	IC50	=	6.895	nM	DOI[10.6019/CHEMBL1201861]
NPT2414	Cell line	SCC-25	Homo sapiens	IC50	=	0.68	nM	DOI[10.6019/CHEMBL1201861]
NPT2078	Cell line	SK-UT-1	Homo sapiens	IC50	=	2.258	nM	DOI[10.6019/CHEMBL1201861]
NPT2415	Cell line	SKG-IIIa	Homo sapiens	IC50	=	2.857	nM	DOI[10.6019/CHEMBL1201861]
NPT2245	Cell line	SiHa	Homo sapiens	IC50	=	4.303	nM	DOI[10.6019/CHEMBL1201861]
NPT550	Cell line	T-24	Homo sapiens	IC50	=	17.05	nM	DOI[10.6019/CHEMBL1201861]
NPT396	Cell line	T47D	Homo sapiens	IC50	=	4.309	nM	DOI[10.6019/CHEMBL1201861]
NPT2416	Cell line	UACC-893	Homo sapiens	IC50	=	54.62	nM	DOI[10.6019/CHEMBL1201861]
NPT2417	Cell line	UMUC3	Homo sapiens	IC50	=	312.91	nM	DOI[10.6019/CHEMBL1201861]
NPT2066	Cell line	EW-11	Homo sapiens	IC50	=	1.686	nM	DOI[10.6019/CHEMBL1201861]
NPT2080	Cell line	EW-13	Homo sapiens	IC50	=	29.04	nM	DOI[10.6019/CHEMBL1201861]
NPT2418	Cell line	HCC1569	Homo sapiens	IC50	=	343.09	nM	DOI[10.6019/CHEMBL1201861]
NPT2419	Cell line	HT-1376	Homo sapiens	IC50	=	51.86	nM	DOI[10.6019/CHEMBL1201861]
NPT2082	Cell line	HT-144	Homo sapiens	IC50	=	0.1574	nM	DOI[10.6019/CHEMBL1201861]
NPT2084	Cell line	KARPAS-45	Homo sapiens	IC50	=	6.518	nM	DOI[10.6019/CHEMBL1201861]
NPT2086	Cell line	L-428	Homo sapiens	IC50	=	298.83	nM	DOI[10.6019/CHEMBL1201861]
NPT2070	Cell line	LXF-289 cell line	n.a.	IC50	=	0.7581	nM	DOI[10.6019/CHEMBL1201861]
NPT114	Cell line	LoVo	Homo sapiens	IC50	=	21.72	nM	DOI[10.6019/CHEMBL1201861]
NPT2072	Cell line	MN-60	Homo sapiens	IC50	=	14.29	nM	DOI[10.6019/CHEMBL1201861]
NPT3466	Cell line	MOLT-13	Homo sapiens	IC50	=	10.86	nM	DOI[10.6019/CHEMBL1201861]
NPT2074	Cell line	NCI-H1355	Homo sapiens	IC50	=	6.794	nM	DOI[10.6019/CHEMBL1201861]
NPT2089	Cell line	NCI-H1395	Homo sapiens	IC50	=	3.962	nM	DOI[10.6019/CHEMBL1201861]
NPT2411	Cell line	NCI-H2228	Homo sapiens	IC50	=	7.253	nM	DOI[10.6019/CHEMBL1201861]
NPT405	Cell line	NCI-H226	Homo sapiens	IC50	=	3.682	nM	DOI[10.6019/CHEMBL1201861]
NPT2420	Cell line	NCI-H2291	Homo sapiens	IC50	=	18.38	nM	DOI[10.6019/CHEMBL1201861]
NPT2091	Cell line	SNU-5	Homo sapiens	IC50	=	5.448	nM	DOI[10.6019/CHEMBL1201861]
NPT306	Cell line	PC-3	Homo sapiens	IC50	=	20.36	nM	DOI[10.6019/CHEMBL1201861]
NPT2421	Cell line	PFSK-1	Homo sapiens	IC50	=	0.6566	nM	DOI[10.6019/CHEMBL1201861]
NPT2422	Cell line	SCC-4	Homo sapiens	IC50	=	0.7393	nM	DOI[10.6019/CHEMBL1201861]
NPT2423	Cell line	SCC-9	Homo sapiens	IC50	=	1.317	nM	DOI[10.6019/CHEMBL1201861]
NPT368	Cell line	SN12C	Homo sapiens	IC50	=	5.499	nM	DOI[10.6019/CHEMBL1201861]
NPT392	Cell line	SNB-75	Homo sapiens	IC50	=	3.807	nM	DOI[10.6019/CHEMBL1201861]
NPT2424	Cell line	T84	Homo sapiens	IC50	=	109.52	nM	DOI[10.6019/CHEMBL1201861]
NPT1125	Cell line	T98G	Homo sapiens	IC50	=	1.17	nM	DOI[10.6019/CHEMBL1201861]
NPT2425	Cell line	UMC-11	Homo sapiens	IC50	=	12.83	nM	DOI[10.6019/CHEMBL1201861]
NPT2096	Cell line	VA-ES-BJ	Homo sapiens	IC50	=	0.3753	nM	DOI[10.6019/CHEMBL1201861]
NPT2097	Cell line	EW-16	Homo sapiens	IC50	=	1.348	nM	DOI[10.6019/CHEMBL1201861]
NPT2426	Cell line	HCC1806	Homo sapiens	IC50	=	1.178	nM	DOI[10.6019/CHEMBL1201861]
NPT1884	Cell line	HCC1937	Homo sapiens	IC50	=	149.37	nM	DOI[10.6019/CHEMBL1201861]
NPT2427	Cell line	HCC1954	Homo sapiens	IC50	=	21.92	nM	DOI[10.6019/CHEMBL1201861]
NPT139	Cell line	HT-29	Homo sapiens	IC50	=	2.796	nM	DOI[10.6019/CHEMBL1201861]
NPT2428	Cell line	HT-3	Homo sapiens	IC50	=	2.818	nM	DOI[10.6019/CHEMBL1201861]
NPT2429	Cell line	HT55	Homo sapiens	IC50	=	12.42	nM	DOI[10.6019/CHEMBL1201861]
NPT2085	Cell line	Kasumi 1	n.a.	IC50	=	5.11	nM	DOI[10.6019/CHEMBL1201861]
NPT2099	Cell line	KE-37	Homo sapiens	IC50	=	50.1	nM	DOI[10.6019/CHEMBL1201861]
NPT1358	Cell line	LAMA-84	Homo sapiens	IC50	=	13.28	nM	DOI[10.6019/CHEMBL1201861]
NPT2101	Cell line	LAN-6	Homo sapiens	IC50	=	43.35	nM	DOI[10.6019/CHEMBL1201861]
NPT2430	Cell line	M059J	Homo sapiens	IC50	=	1.977	nM	DOI[10.6019/CHEMBL1201861]
NPT387	Cell line	M14	Homo sapiens	IC50	=	1.906	nM	DOI[10.6019/CHEMBL1201861]
NPT2088	Cell line	MOLT-16	Homo sapiens	IC50	=	8.269	nM	DOI[10.6019/CHEMBL1201861]
NPT112	Cell line	MOLT-4	Homo sapiens	IC50	=	4.705	nM	DOI[10.6019/CHEMBL1201861]
NPT2431	Cell line	NCI-H1437	Homo sapiens	IC50	=	2.602	nM	DOI[10.6019/CHEMBL1201861]
NPT370	Cell line	NCI-H23	Homo sapiens	IC50	=	3.636	nM	DOI[10.6019/CHEMBL1201861]
NPT2432	Cell line	NCI-H2342	Homo sapiens	IC50	=	36.33	nM	DOI[10.6019/CHEMBL1201861]
NPT2092	Cell line	NEC8	Homo sapiens	IC50	=	0.5607	nM	DOI[10.6019/CHEMBL1201861]
NPT2106	Cell line	NH-12	Homo sapiens	IC50	=	62.44	nM	DOI[10.6019/CHEMBL1201861]
NPT2107	Cell line	PSN1	Homo sapiens	IC50	=	0.5815	nM	DOI[10.6019/CHEMBL1201861]
NPT2109	Cell line	SCH	Homo sapiens	IC50	=	8.178	nM	DOI[10.6019/CHEMBL1201861]
NPT890	Cell line	SNU-387	Homo sapiens	IC50	=	2.608	nM	DOI[10.6019/CHEMBL1201861]
NPT2433	Cell line	SNU-423	Homo sapiens	IC50	=	8.569	nM	DOI[10.6019/CHEMBL1201861]
NPT2434	Cell line	TCC-SUP	Homo sapiens	IC50	=	10.36	nM	DOI[10.6019/CHEMBL1201861]
NPT2435	Cell line	VM-CUB-1	Homo sapiens	IC50	=	1.048	nM	DOI[10.6019/CHEMBL1201861]
NPT2436	Cell line	VMRC-RCZ	Homo sapiens	IC50	=	2.519	nM	DOI[10.6019/CHEMBL1201861]
NPT1653	Cell line	WM-115	Homo sapiens	IC50	=	6.267	nM	DOI[10.6019/CHEMBL1201861]
NPT2098	Cell line	EW-18	Homo sapiens	IC50	=	11.69	nM	DOI[10.6019/CHEMBL1201861]
NPT2437	Cell line	EW-22	Homo sapiens	IC50	=	12.56	nM	DOI[10.6019/CHEMBL1201861]
NPT2113	Cell line	EW-24	Homo sapiens	IC50	=	4.332	nM	DOI[10.6019/CHEMBL1201861]
NPT2116	Cell line	HCC2218	Homo sapiens	IC50	=	37.9	nM	DOI[10.6019/CHEMBL1201861]
NPT2438	Cell line	HTC-C3	Homo sapiens	IC50	=	2.851	nM	DOI[10.6019/CHEMBL1201861]
NPT2100	Cell line	KG-1	n.a.	IC50	=	77.87	nM	DOI[10.6019/CHEMBL1201861]
NPT2118	Cell line	KGN	Homo sapiens	IC50	=	2.471	nM	DOI[10.6019/CHEMBL1201861]
NPT2120	Cell line	LB1047-RCC	Homo sapiens	IC50	=	8.803	nM	DOI[10.6019/CHEMBL1201861]
NPT2439	Cell line	MC-IXC	Homo sapiens	IC50	=	0.4789	nM	DOI[10.6019/CHEMBL1201861]
NPT2122	Cell line	MC116	Homo sapiens	IC50	=	283.09	nM	DOI[10.6019/CHEMBL1201861]
NPT2123	Cell line	MPP-89	Homo sapiens	IC50	=	5.666	nM	DOI[10.6019/CHEMBL1201861]
NPT2440	Cell line	NCI-H1563	Homo sapiens	IC50	=	10.87	nM	DOI[10.6019/CHEMBL1201861]
NPT2441	Cell line	NCI-H2347	Homo sapiens	IC50	=	16.36	nM	DOI[10.6019/CHEMBL1201861]
NPT2442	Cell line	NCI-H2405	Homo sapiens	IC50	=	63.83	nM	DOI[10.6019/CHEMBL1201861]
NPT2126	Cell line	NKM-1	Homo sapiens	IC50	=	31.69	nM	DOI[10.6019/CHEMBL1201861]
NPT2127	Cell line	NMC-G1	Homo sapiens	IC50	=	0.5166	nM	DOI[10.6019/CHEMBL1201861]
NPT2108	Cell line	QIMR-WIL	Homo sapiens	IC50	=	4.381	nM	DOI[10.6019/CHEMBL1201861]
NPT2128	Cell line	RCC10RGB	Homo sapiens	IC50	=	791.83	nM	DOI[10.6019/CHEMBL1201861]
NPT2111	Cell line	SF-126	Homo sapiens	IC50	=	3.292	nM	DOI[10.6019/CHEMBL1201861]
NPT395	Cell line	SF-268	Homo sapiens	IC50	=	1.206	nM	DOI[10.6019/CHEMBL1201861]
NPT2443	Cell line	SNU-449	Homo sapiens	IC50	=	727.48	nM	DOI[10.6019/CHEMBL1201861]
NPT2112	Cell line	TE-1	Homo sapiens	IC50	=	2.159	nM	DOI[10.6019/CHEMBL1201861]
NPT2130	Cell line	TE-10	Homo sapiens	IC50	=	2.536	nM	DOI[10.6019/CHEMBL1201861]
NPT2444	Cell line	YAPC	Homo sapiens	IC50	=	12.37	nM	DOI[10.6019/CHEMBL1201861]
NPT2445	Cell line	YH-13	Homo sapiens	IC50	=	0.7908	nM	DOI[10.6019/CHEMBL1201861]
NPT2114	Cell line	EW-3	Homo sapiens	IC50	=	0.7448	nM	DOI[10.6019/CHEMBL1201861]
NPT391	Cell line	HCC 2998	Homo sapiens	IC50	=	4.077	nM	DOI[10.6019/CHEMBL1201861]
NPT2446	Cell line	HCC38	Homo sapiens	IC50	=	6.004	nM	DOI[10.6019/CHEMBL1201861]
NPT402	Cell line	Hs-578T	Homo sapiens	IC50	=	2.716	nM	DOI[10.6019/CHEMBL1201861]
NPT2447	Cell line	HuCCT-1	Homo sapiens	IC50	=	5.678	nM	DOI[10.6019/CHEMBL1201861]
NPT2119	Cell line	KINGS-1	Homo sapiens	IC50	=	1.169	nM	DOI[10.6019/CHEMBL1201861]
NPT2448	Cell line	KLE	Homo sapiens	IC50	=	23.23	nM	DOI[10.6019/CHEMBL1201861]
NPT2121	Cell line	LB2241-RCC	Homo sapiens	IC50	=	5.31	nM	DOI[10.6019/CHEMBL1201861]
NPT2134	Cell line	LB2518-MEL	Homo sapiens	IC50	=	21.61	nM	DOI[10.6019/CHEMBL1201861]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	1.608	nM	DOI[10.6019/CHEMBL1201861]
NPT2137	Cell line	MS-1	Homo sapiens	IC50	=	15.45	nM	DOI[10.6019/CHEMBL1201861]
NPT2449	Cell line	NCI-H1573	Homo sapiens	IC50	=	6.074	nM	DOI[10.6019/CHEMBL1201861]
NPT2139	Cell line	NCI-H1581	Homo sapiens	IC50	=	2.175	nM	DOI[10.6019/CHEMBL1201861]
NPT2450	Cell line	NCI-H2452	Homo sapiens	IC50	=	2.163	nM	DOI[10.6019/CHEMBL1201861]
NPT2451	Cell line	NCI-H28	Homo sapiens	IC50	=	3.342	nM	DOI[10.6019/CHEMBL1201861]
NPT2452	Cell line	NCI-H292	n.a.	IC50	=	0.1585	nM	DOI[10.6019/CHEMBL1201861]
NPT2140	Cell line	NOMO-1	Homo sapiens	IC50	=	5.129	nM	DOI[10.6019/CHEMBL1201861]
NPT2453	Cell line	RCM-1	Homo sapiens	IC50	=	28.19	nM	DOI[10.6019/CHEMBL1201861]
NPT2454	Cell line	RD	Homo sapiens	IC50	=	3.996	nM	DOI[10.6019/CHEMBL1201861]
NPT399	Cell line	SF-295	Homo sapiens	IC50	=	11.26	nM	DOI[10.6019/CHEMBL1201861]
NPT374	Cell line	SF-539	Homo sapiens	IC50	=	0.302	nM	DOI[10.6019/CHEMBL1201861]
NPT2455	Cell line	SNU-C2B	Homo sapiens	IC50	=	30.63	nM	DOI[10.6019/CHEMBL1201861]
NPT2456	Cell line	TE-11	Homo sapiens	IC50	=	0.5687	nM	DOI[10.6019/CHEMBL1201861]
NPT2144	Cell line	TE-12	Homo sapiens	IC50	=	653.94	nM	DOI[10.6019/CHEMBL1201861]
NPT2457	Cell line	YKG-1	Homo sapiens	IC50	=	0.7067	nM	DOI[10.6019/CHEMBL1201861]
NPT994	Cell line	ZR-75-30	Homo sapiens	IC50	=	206.43	nM	DOI[10.6019/CHEMBL1201861]
NPT2132	Cell line	EOL1	Homo sapiens	IC50	=	1.727	nM	DOI[10.6019/CHEMBL1201861]
NPT1216	Cell line	FaDu	Homo sapiens	IC50	=	5.104	nM	DOI[10.6019/CHEMBL1201861]
NPT2458	Cell line	FTC-133	Homo sapiens	IC50	=	0.489	nM	DOI[10.6019/CHEMBL1201861]
NPT2459	Cell line	HCC70	Homo sapiens	IC50	=	2.774	nM	DOI[10.6019/CHEMBL1201861]
NPT2460	Cell line	HCE-4	Homo sapiens	IC50	=	2.469	nM	DOI[10.6019/CHEMBL1201861]
NPT1229	Cell line	Huh-7	Homo sapiens	IC50	=	13.54	nM	DOI[10.6019/CHEMBL1201861]
NPT2461	Cell line	HuO-3N1	Homo sapiens	IC50	=	0.3025	nM	DOI[10.6019/CHEMBL1201861]
NPT2462	Cell line	HuO9	Homo sapiens	IC50	=	3.456	nM	DOI[10.6019/CHEMBL1201861]
NPT2133	Cell line	KM-H2	Homo sapiens	IC50	=	150.1	nM	DOI[10.6019/CHEMBL1201861]
NPT386	Cell line	KM12	Homo sapiens	IC50	=	4.081	nM	DOI[10.6019/CHEMBL1201861]
NPT2135	Cell line	LB373-MEL-D	Homo sapiens	IC50	=	10.94	nM	DOI[10.6019/CHEMBL1201861]
NPT2463	Cell line	MDA-MB-157	Homo sapiens	IC50	=	23.49	nM	DOI[10.6019/CHEMBL1201861]
NPT2464	Cell line	MDA-MB-175-VII	Homo sapiens	IC50	=	44.17	nM	DOI[10.6019/CHEMBL1201861]
NPT82	Cell line	MDA-MB-231	Homo sapiens	IC50	=	7.3	nM	DOI[10.6019/CHEMBL1201861]
NPT2138	Cell line	MSTO-211H	Homo sapiens	IC50	=	11.73	nM	DOI[10.6019/CHEMBL1201861]
NPT1649	Cell line	MV4-11	Homo sapiens	IC50	=	1.744	nM	DOI[10.6019/CHEMBL1201861]
NPT2465	Cell line	NCI-H1623	Homo sapiens	IC50	=	8.563	nM	DOI[10.6019/CHEMBL1201861]
NPT2150	Cell line	NCI-H1648	Homo sapiens	IC50	=	6.014	nM	DOI[10.6019/CHEMBL1201861]
NPT2141	Cell line	NOS-1	Homo sapiens	IC50	=	14.6	nM	DOI[10.6019/CHEMBL1201861]
NPT2152	Cell line	NTERA-2-cl-D1	Homo sapiens	IC50	=	0.7726	nM	DOI[10.6019/CHEMBL1201861]
NPT2467	Cell line	RERF-LC-MS	Homo sapiens	IC50	=	1.13	nM	DOI[10.6019/CHEMBL1201861]
NPT2153	Cell line	RH-1	Homo sapiens	IC50	=	0.3856	nM	DOI[10.6019/CHEMBL1201861]
NPT2154	Cell line	SH-4	Homo sapiens	IC50	=	3.224	nM	DOI[10.6019/CHEMBL1201861]
NPT2159	Cell line	TE-5	Homo sapiens	IC50	=	1.063	nM	DOI[10.6019/CHEMBL1201861]
NPT2160	Cell line	no-10	Homo sapiens	IC50	=	7.881	nM	DOI[10.6019/CHEMBL1201861]
NPT2468	Cell line	G-361	Homo sapiens	IC50	=	123.24	nM	DOI[10.6019/CHEMBL1201861]
NPT2469	Cell line	G-401	Homo sapiens	IC50	=	1.27	nM	DOI[10.6019/CHEMBL1201861]
NPT2470	Cell line	G-402	Homo sapiens	IC50	=	0.7063	nM	DOI[10.6019/CHEMBL1201861]
NPT2162	Cell line	HCE-T	Homo sapiens	IC50	=	0.1617	nM	DOI[10.6019/CHEMBL1201861]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	1.805	nM	DOI[10.6019/CHEMBL1201861]
NPT2471	Cell line	HuP-T3	Homo sapiens	IC50	=	10.77	nM	DOI[10.6019/CHEMBL1201861]
NPT2472	Cell line	HuP-T4	Homo sapiens	IC50	=	6.785	nM	DOI[10.6019/CHEMBL1201861]
NPT2163	Cell line	KMOE-2	Homo sapiens	IC50	=	44.69	nM	DOI[10.6019/CHEMBL1201861]
NPT2148	Cell line	LB771-HNC	Homo sapiens	IC50	=	28.37	nM	DOI[10.6019/CHEMBL1201861]
NPT2166	Cell line	LB831-BLC	Homo sapiens	IC50	=	1.479	nM	DOI[10.6019/CHEMBL1201861]
NPT2473	Cell line	MDA-MB-361	Homo sapiens	IC50	=	2.813	nM	DOI[10.6019/CHEMBL1201861]
NPT2474	Cell line	MDA-MB-415	Homo sapiens	IC50	=	2.744	nM	DOI[10.6019/CHEMBL1201861]
NPT2149	Cell line	MZ1-PC	Homo sapiens	IC50	=	1.18	nM	DOI[10.6019/CHEMBL1201861]
NPT2168	Cell line	MZ2-MEL	Homo sapiens	IC50	=	6.578	nM	DOI[10.6019/CHEMBL1201861]
NPT1820	Cell line	NCI-H1650	Homo sapiens	IC50	=	12.29	nM	DOI[10.6019/CHEMBL1201861]
NPT2475	Cell line	NCI-H1651	Homo sapiens	IC50	=	5.4	nM	DOI[10.6019/CHEMBL1201861]
NPT2466	Cell line	NCI-H358	Homo sapiens	IC50	=	7.582	nM	DOI[10.6019/CHEMBL1201861]
NPT2476	Cell line	NCI-H441	Homo sapiens	IC50	=	11.98	nM	DOI[10.6019/CHEMBL1201861]
NPT937	Cell line	NCI-H446	Homo sapiens	IC50	=	2.435	nM	DOI[10.6019/CHEMBL1201861]
NPT2477	Cell line	NUGC-3	Homo sapiens	IC50	=	3.079	nM	DOI[10.6019/CHEMBL1201861]
NPT2478	Cell line	NY	Homo sapiens	IC50	=	933.52	nM	DOI[10.6019/CHEMBL1201861]
NPT2479	Cell line	OAW-28	Homo sapiens	IC50	=	19.56	nM	DOI[10.6019/CHEMBL1201861]
NPT2480	Cell line	RH-18	Homo sapiens	IC50	=	37.63	nM	DOI[10.6019/CHEMBL1201861]
NPT2170	Cell line	RKO	Homo sapiens	IC50	=	0.9888	nM	DOI[10.6019/CHEMBL1201861]
NPT2155	Cell line	SHP77	Homo sapiens	IC50	=	116.41	nM	DOI[10.6019/CHEMBL1201861]
NPT2481	Cell line	SW1088	Homo sapiens	IC50	=	2.948	nM	DOI[10.6019/CHEMBL1201861]
NPT2482	Cell line	SW 1116	Homo sapiens	IC50	=	211.17	nM	DOI[10.6019/CHEMBL1201861]
NPT2483	Cell line	SW13	Homo sapiens	IC50	=	1.688	nM	DOI[10.6019/CHEMBL1201861]
NPT2173	Cell line	TE-6	Homo sapiens	IC50	=	11.48	nM	DOI[10.6019/CHEMBL1201861]
NPT2161	Cell line	no-11	Homo sapiens	IC50	=	18.87	nM	DOI[10.6019/CHEMBL1201861]
NPT2175	Cell line	GAK	Homo sapiens	IC50	=	11.58	nM	DOI[10.6019/CHEMBL1201861]
NPT2484	Cell line	GAMG	Homo sapiens	IC50	=	0.4156	nM	DOI[10.6019/CHEMBL1201861]
NPT2176	Cell line	HD-MY-Z	Homo sapiens	IC50	=	1.411	nM	DOI[10.6019/CHEMBL1201861]
NPT2485	Cell line	IA-LM	Homo sapiens	IC50	=	13.3	nM	DOI[10.6019/CHEMBL1201861]
NPT2486	Cell line	IGR-1	Homo sapiens	IC50	=	6.414	nM	DOI[10.6019/CHEMBL1201861]
NPT458	Cell line	IGROV-1	Homo sapiens	IC50	=	337.55	nM	DOI[10.6019/CHEMBL1201861]
NPT2165	Cell line	KNS-42	Homo sapiens	IC50	=	4.115	nM	DOI[10.6019/CHEMBL1201861]
NPT2487	Cell line	KNS-62	Homo sapiens	IC50	=	1.117	nM	DOI[10.6019/CHEMBL1201861]
NPT2180	Cell line	LC-2-ad	Homo sapiens	IC50	=	3.403	nM	DOI[10.6019/CHEMBL1201861]
NPT2488	Cell line	MDA-MB-453	Homo sapiens	IC50	=	4.514	nM	DOI[10.6019/CHEMBL1201861]
NPT1773	Cell line	ME-180	Homo sapiens	IC50	=	1.689	nM	DOI[10.6019/CHEMBL1201861]
NPT2169	Cell line	MZ7-mel	Homo sapiens	IC50	=	19.34	nM	DOI[10.6019/CHEMBL1201861]
NPT2489	Cell line	MeWo	Homo sapiens	IC50	=	5.049	nM	DOI[10.6019/CHEMBL1201861]
NPT2490	Cell line	NCI-H1666	Homo sapiens	IC50	=	5.051	nM	DOI[10.6019/CHEMBL1201861]
NPT2491	Cell line	NCI-H1693	Homo sapiens	IC50	=	43.05	nM	DOI[10.6019/CHEMBL1201861]
NPT2184	Cell line	NCI-H510A	Homo sapiens	IC50	=	0.3363	nM	DOI[10.6019/CHEMBL1201861]
NPT2492	Cell line	OAW-42	Homo sapiens	IC50	=	30.3	nM	DOI[10.6019/CHEMBL1201861]
NPT2493	Cell line	OC-314	Homo sapiens	IC50	=	2.564	nM	DOI[10.6019/CHEMBL1201861]
NPT2494	Cell line	RMG-I	Homo sapiens	IC50	=	27.0	nM	DOI[10.6019/CHEMBL1201861]
NPT2188	Cell line	SJSA-1	Homo sapiens	IC50	=	0.6152	nM	DOI[10.6019/CHEMBL1201861]
NPT2495	Cell line	SW1417	Homo sapiens	IC50	=	2.757	nM	DOI[10.6019/CHEMBL1201861]
NPT2496	Cell line	SW1463	Homo sapiens	IC50	=	33.37	nM	DOI[10.6019/CHEMBL1201861]
NPT1577	Cell line	SW1573	Homo sapiens	IC50	=	5.544	nM	DOI[10.6019/CHEMBL1201861]
NPT2174	Cell line	TE-8	Homo sapiens	IC50	=	0.3655	nM	DOI[10.6019/CHEMBL1201861]
NPT2189	Cell line	TE-9	Homo sapiens	IC50	=	0.6756	nM	DOI[10.6019/CHEMBL1201861]
NPT2190	Cell line	GB-1	Homo sapiens	IC50	=	5.111	nM	DOI[10.6019/CHEMBL1201861]
NPT2177	Cell line	HDLM-2	Homo sapiens	IC50	=	339.0	nM	DOI[10.6019/CHEMBL1201861]
NPT2497	Cell line	HEC-1	Homo sapiens	IC50	=	3.03	nM	DOI[10.6019/CHEMBL1201861]
NPT2178	Cell line	KNS-81-FD	Homo sapiens	IC50	=	3.988	nM	DOI[10.6019/CHEMBL1201861]
NPT2498	Cell line	KOSC-2	Homo sapiens	IC50	=	0.2546	nM	DOI[10.6019/CHEMBL1201861]
NPT2499	Cell line	KP-4	Homo sapiens	IC50	=	1.563	nM	DOI[10.6019/CHEMBL1201861]
NPT2500	Cell line	LCLC-103H cell line	n.a.	IC50	=	2.933	nM	DOI[10.6019/CHEMBL1201861]
NPT2181	Cell line	MEG-01	Homo sapiens	IC50	=	17.37	nM	DOI[10.6019/CHEMBL1201861]
NPT2501	Cell line	MEL-HO	Homo sapiens	IC50	=	34.21	nM	DOI[10.6019/CHEMBL1201861]
NPT2503	Cell line	NCI-H1703	Homo sapiens	IC50	=	1.568	nM	DOI[10.6019/CHEMBL1201861]
NPT2504	Cell line	NCI-H1755	Homo sapiens	IC50	=	6.237	nM	DOI[10.6019/CHEMBL1201861]
NPT2505	Cell line	NCI-H520	n.a.	IC50	=	3.725	nM	DOI[10.6019/CHEMBL1201861]
NPT2185	Cell line	OCI-AML2	Homo sapiens	IC50	=	322.98	nM	DOI[10.6019/CHEMBL1201861]
NPT2199	Cell line	OCUB-M	Homo sapiens	IC50	=	4.379	nM	DOI[10.6019/CHEMBL1201861]
NPT2506	Cell line	RO82-W-1	Homo sapiens	IC50	=	5.311	nM	DOI[10.6019/CHEMBL1201861]
NPT2507	Cell line	RPMI-2650	Homo sapiens	IC50	=	2.458	nM	DOI[10.6019/CHEMBL1201861]
NPT1086	Cell line	SK-HEP1	Homo sapiens	IC50	=	2.342	nM	DOI[10.6019/CHEMBL1201861]
NPT2508	Cell line	SW1710	Homo sapiens	IC50	=	0.466	nM	DOI[10.6019/CHEMBL1201861]
NPT2509	Cell line	SW1783	Homo sapiens	IC50	=	5.7	nM	DOI[10.6019/CHEMBL1201861]
NPT1354	Cell line	TGBC11TKB	Homo sapiens	IC50	=	4.69	nM	DOI[10.6019/CHEMBL1201861]
NPT2202	Cell line	TGBC1TKB	Homo sapiens	IC50	=	9.097	nM	DOI[10.6019/CHEMBL1201861]
NPT2191	Cell line	GCIY	Homo sapiens	IC50	=	25.02	nM	DOI[10.6019/CHEMBL1201861]
NPT2510	Cell line	GCT	Homo sapiens	IC50	=	1.797	nM	DOI[10.6019/CHEMBL1201861]
NPT2192	Cell line	HEL	Homo sapiens	IC50	=	322.4	nM	DOI[10.6019/CHEMBL1201861]
NPT2511	Cell line	HGC-27	Homo sapiens	IC50	=	0.4709	nM	DOI[10.6019/CHEMBL1201861]
NPT2205	Cell line	IST-MEL1	Homo sapiens	IC50	=	2.254	nM	DOI[10.6019/CHEMBL1201861]
NPT2206	Cell line	IST-MES1	Homo sapiens	IC50	=	8.404	nM	DOI[10.6019/CHEMBL1201861]
NPT2207	Cell line	KP-N-YN	Homo sapiens	IC50	=	38.76	nM	DOI[10.6019/CHEMBL1201861]
NPT2208	Cell line	KP-N-YS	Homo sapiens	IC50	=	15.23	nM	DOI[10.6019/CHEMBL1201861]
NPT2512	Cell line	LCLC-97TM1	Homo sapiens	IC50	=	1.442	nM	DOI[10.6019/CHEMBL1201861]
NPT2513	Cell line	LK-2	Homo sapiens	IC50	=	1.213	nM	DOI[10.6019/CHEMBL1201861]
NPT2514	Cell line	LN-405	Homo sapiens	IC50	=	4.819	nM	DOI[10.6019/CHEMBL1201861]
NPT2502	Cell line	MEL-JUSO	Homo sapiens	IC50	=	6.391	nM	DOI[10.6019/CHEMBL1201861]
NPT2515	Cell line	MFE-280	Homo sapiens	IC50	=	75.36	nM	DOI[10.6019/CHEMBL1201861]
NPT2210	Cell line	NB10	Homo sapiens	IC50	=	12.09	nM	DOI[10.6019/CHEMBL1201861]
NPT2197	Cell line	NCI-H1770	Homo sapiens	IC50	=	3.418	nM	DOI[10.6019/CHEMBL1201861]
NPT1669	Cell line	NCI-H1792	Homo sapiens	IC50	=	1.042	nM	DOI[10.6019/CHEMBL1201861]
NPT81	Cell line	A549	Homo sapiens	IC50	=	850.0	nM	PMID[24269481]
NPT146	Cell line	SK-OV-3	Homo sapiens	IC50	=	5.0	nM	PMID[24269481]
NPT306	Cell line	PC-3	Homo sapiens	GI50	=	2.5	nM	PMID[23956835]
NPT306	Cell line	PC-3	Homo sapiens	GI50	=	54.0	nM	PMID[23956835]
NPT857	Cell line	LLC-PK1	Sus scrofa	GI50	=	0.17	nM	PMID[23956835]
NPT857	Cell line	LLC-PK1	Sus scrofa	GI50	=	106.6	nM	PMID[23956835]
NPT82	Cell line	MDA-MB-231	Homo sapiens	IC50	=	1.0	nM	PMID[24564494]
NPT165	Cell line	HeLa	Homo sapiens	IC50	=	50.1	nM	PMID[24835987]
NPT81	Cell line	A549	Homo sapiens	IC50	=	35.2	nM	PMID[24835987]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	33.0	nM	PMID[24835987]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	126.0	nM	PMID[24835987]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	38.53	nM	PMID[24835987]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	180.0	nM	PMID[24835987]
NPT400	Cell line	MDA-MB-435	Homo sapiens	IC50	=	2.7	nM	PMID[24890652]
NPT82	Cell line	MDA-MB-231	Homo sapiens	IC50	=	16.0	nM	PMID[24890652]
NPT784	Cell line	MDA-MB-468	Homo sapiens	IC50	=	69.1	nM	PMID[24890652]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	59.3	nM	PMID[24890652]
NPT83	Cell line	MCF7	Homo sapiens	IC50	>	1000.0	nM	PMID[24890652]
NPT3722	Cell line	4T1	Mus musculus	IC50	=	63.4	nM	PMID[24890652]
NPT737	Cell line	HUVEC	Homo sapiens	IC50	=	56.7	nM	PMID[24890652]
NPT171	Cell line	MRC5	Homo sapiens	IC50	=	0.5	nM	PMID[25478997]
NPT91	Cell line	KB	Homo sapiens	IC50	=	0.2	nM	PMID[25478997]
NPT179	Cell line	A2780	Homo sapiens	IC50	=	0.6	nM	PMID[25047938]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	1.0	nM	PMID[25047938]
NPT83	Cell line	MCF7	Homo sapiens	Ratio IC50	=	235.0	n.a.	PMID[25047938]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	5.0	nM	PMID[25817774]
NPT83	Cell line	MCF7	Homo sapiens	Activity	=	5.61	%	PMID[25817774]
NPT83	Cell line	MCF7	Homo sapiens	Activity	=	10.63	%	PMID[25817774]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	139800.0	nM	PMID[25799264]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	27600.0	nM	PMID[25799264]
NPT83	Cell line	MCF7	Homo sapiens	Ratio IC50	=	5.0	n.a.	PMID[25799264]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Ratio	=	0.45	n.a.	PMID[7932561]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Ratio	=	0.45	n.a.	DOI[10.1016/0960-894X(95)00083-6]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Ratio	=	0.41	n.a.	DOI[10.1016/0960-894X(95)00083-6]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Ratio	=	104.0	n.a.	PMID[12482420]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Ratio	=	958.0	n.a.	PMID[12482420]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Ratio	=	1.0	n.a.	PMID[1672159]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	87.1	nM	PMID[17890094]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	235.0	nM	PMID[18465846]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	1.0	nM	PMID[18465846]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	120.0	nM	PMID[18465846]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	2600.0	nM	PMID[18701281]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	235.0	nM	PMID[19239240]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	120.0	nM	PMID[19239240]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	1.0	nM	PMID[19239240]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	285.0	nM	PMID[17206139]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	0.6	nM	PMID[17206139]
NPT580	Organism	Trypanosoma cruzi	Trypanosoma cruzi	EC50	=	800.0	nM	PMID[20547819]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	531.0	nM	PMID[21142180]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	0.018	nM	PMID[21142180]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	0.25	nM	PMID[21142180]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	0.4536	nM	PMID[21396751]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	0.01149	nM	PMID[21396751]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	0.1317	nM	PMID[21396751]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	0.2341	nM	PMID[21396751]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	0.114	nM	PMID[21396751]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	12.0	nM	PMID[22320354]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	22.4	nM	PMID[22320354]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	38.2	nM	PMID[22320354]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	>	100.0	nM	PMID[22320354]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	14.1	nM	PMID[22320354]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	24.7	nM	PMID[22320354]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	16.7	nM	PMID[22320354]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	39.2	nM	PMID[22320354]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	11.2	%	PMID[22320354]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	64.4	%	PMID[22320354]
NPT610	Others	Molecular identity unknown	n.a.	Activity	=	16.8	%	PMID[22320354]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	531.0	nM	PMID[23072299]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	20.72	ug.mL-1	DOI[10.1007/s00044-013-0582-8]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	0.5	nM	PMID[23956835]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	196.0	nM	PMID[23956835]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	290.0	nM	PMID[25047938]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	IC50	=	235.0	nM	PMID[25047938]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	TGI	=	66.0	%	PMID[25474320]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	CC50	=	0.25	nM	PMID[18485536]
NPT2688	Organism	Sus scrofa	Sus scrofa	Ratio	=	0.5	n.a.	PMID[1672159]
NPT27	Others	Unspecified	n.a.	Ratio	=	20.0	n.a.	PMID[9003522]
NPT2	Others	Unspecified	n.a.	IC50	=	1.0	nM	PMID[10617084]
NPT2	Others	Unspecified	n.a.	IC50	=	120.0	nM	PMID[10617084]
NPT2	Others	Unspecified	n.a.	Ratio	>	27.0	n.a.	PMID[7915328]
NPT27	Others	Unspecified	n.a.	Ratio	=	17.0	n.a.	PMID[7562913]
NPT2	Others	Unspecified	n.a.	Ratio	=	0.45	n.a.	PMID[7562913]
NPT2	Others	Unspecified	n.a.	Ratio	=	0.41	n.a.	PMID[7562913]
NPT2	Others	Unspecified	n.a.	Ratio	=	1.0	n.a.	PMID[1672159]
NPT2	Others	Unspecified	n.a.	IC50	=	1.7	nM	PMID[10397492]
NPT2	Others	Unspecified	n.a.	IC50	=	4.8	nM	PMID[10397492]
NPT2	Others	Unspecified	n.a.	Ratio	=	235.0	n.a.	PMID[9022793]
NPT2	Others	Unspecified	n.a.	Ratio	=	0.5	n.a.	PMID[15537348]
NPT27	Others	Unspecified	n.a.	IC50	>	10000.0	nM	PMID[19028425]
NPT2	Others	Unspecified	n.a.	Activity	=	2.5	uM	PMID[19128972]
NPT2	Others	Unspecified	n.a.	Ratio	=	120.0	n.a.	PMID[19239240]
NPT27	Others	Unspecified	n.a.	EC50	=	44000.0	nM	PMID[20547819]
NPT2	Others	Unspecified	n.a.	Ratio EC50	>	56.0	n.a.	PMID[20547819]
NPT2	Others	Unspecified	n.a.	Activity	=	0.4	uM	PMID[21396747]
NPT2	Others	Unspecified	n.a.	Ratio IC50	=	483.0	n.a.	PMID[25047938]
NPT2	Others	Unspecified	n.a.	Kb	=	6.95	10'7/M	PMID[25047938]
NPT2	Others	Unspecified	n.a.	Kb	=	6.57	10'7/M	PMID[25047938]
NPT2	Others	Unspecified	n.a.	Kb	=	5.42	10'7/M	PMID[25047938]
NPT2	Others	Unspecified	n.a.	Kb	=	4.89	10'7/M	PMID[25047938]
NPT2	Others	Unspecified	n.a.	Kb	=	3.93	10'7/M	PMID[25047938]
NPT2	Others	Unspecified	n.a.	Kb	=	3.09	10'7/M	PMID[25047938]
NPT2	Others	Unspecified	n.a.	Kb	=	2.89	10'7/M	PMID[25047938]
NPT2	Others	Unspecified	n.a.	Kb	=	2.38	10'7/M	PMID[25047938]

In vivo activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT32	Organism	Mus musculus	Mus musculus	Mortality	=	0.0	n.a.	PMID[12482420]
NPT32	Organism	Mus musculus	Mus musculus	Mortality	=	0.0	n.a.	PMID[11212122]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	24.0	g	PMID[17261802]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	-26.7	%	PMID[18524425]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Survival	=	44.0	day	PMID[17626183]

Experimental ADME

Experiment Model	Experiment Tissue	ADME Type	ADME Relation	ADME Value	ADME Unit	Reference

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 NPC488127 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	9910
0.1-0.2	37614
0.2-0.3	2196
0.3-0.4	69
0.4-0.5	11
0.5-0.6	20
0.6-0.7	19
0.7-0.8	3
0.8-0.85	5
0.85-0.9	3
0.9-0.95	0
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC102167
0.8526	High Similarity	NPC321072
0.8526	High Similarity	NPC215892
0.8526	High Similarity	NPC242662
0.8438	Intermediate Similarity	NPC453583
0.8351	Intermediate Similarity	NPC471754
0.8351	Intermediate Similarity	NPC479183
0.8351	Intermediate Similarity	NPC479181
0.8247	Intermediate Similarity	NPC471623
0.7184	Intermediate Similarity	NPC317882
0.7157	Intermediate Similarity	NPC473300
0.7115	Intermediate Similarity	NPC33372
0.7115	Intermediate Similarity	NPC67246
0.7048	Intermediate Similarity	NPC478329
0.7019	Intermediate Similarity	NPC208553
0.7019	Intermediate Similarity	NPC181964
0.7019	Intermediate Similarity	NPC307628
0.7019	Intermediate Similarity	NPC191193
0.6952	Remote Similarity	NPC324251
0.6952	Remote Similarity	NPC206211
0.6923	Remote Similarity	NPC478328
0.6887	Remote Similarity	NPC487360
0.6887	Remote Similarity	NPC479182
0.6887	Remote Similarity	NPC479180
0.6887	Remote Similarity	NPC471629
0.6887	Remote Similarity	NPC306001
0.6759	Remote Similarity	NPC275170
0.6697	Remote Similarity	NPC486061
0.6697	Remote Similarity	NPC486060
0.6636	Remote Similarity	NPC487361
0.6604	Remote Similarity	NPC327699
0.6325	Remote Similarity	NPC472375
0.6316	Remote Similarity	NPC289383
0.625	Remote Similarity	NPC229545
0.625	Remote Similarity	NPC248265
0.625	Remote Similarity	NPC134685
0.6154	Remote Similarity	NPC479186
0.5905	Remote Similarity	NPC603140
0.5804	Remote Similarity	NPC453588
0.5804	Remote Similarity	NPC473400
0.5766	Remote Similarity	NPC36607
0.57	Remote Similarity	NPC605573
0.5664	Remote Similarity	NPC603171
0.5492	Remote Similarity	NPC472391
0.5492	Remote Similarity	NPC479173
0.5484	Remote Similarity	NPC479184
0.547	Remote Similarity	NPC471606
0.5455	Remote Similarity	NPC116862
0.534	Remote Similarity	NPC155329
0.534	Remote Similarity	NPC11588
0.534	Remote Similarity	NPC114357
0.5328	Remote Similarity	NPC472392
0.5323	Remote Similarity	NPC479185
0.5259	Remote Similarity	NPC473558
0.5146	Remote Similarity	NPC197037
0.5146	Remote Similarity	NPC91730
0.5043	Remote Similarity	NPC473490

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC488127 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	3168
0.1-0.2	5779
0.2-0.3	190
0.3-0.4	0
0.4-0.5	1
0.5-0.6	5
0.6-0.7	2
0.7-0.8	3
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	2

Similarity Score	Similarity Level	Drug ID	Developmental Stage
1.0	High Similarity	NPD8360	Approved
1.0	High Similarity	NPD8361	Phase 4
0.7255	Intermediate Similarity	NPD8424	Phase 3
0.7019	Intermediate Similarity	NPD8435	Phase 4
0.7019	Intermediate Similarity	NPD8485	Phase 4
0.6491	Remote Similarity	NPD8404	Phase 2
0.6455	Remote Similarity	NPD8486	Phase 1
0.595	Remote Similarity	NPD8462	Phase 2
0.5893	Remote Similarity	NPD8368	Phase 2
0.5424	Remote Similarity	NPD8434	Phase 2
0.525	Remote Similarity	NPD8470	Clinical (unspecified phase)
0.5075	Remote Similarity	NPD8468	Phase 3

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