NPASS Compound

Natural Product: NPC603645

Natural Product ID	NPC603645
Common Name ? The InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.	BJFLQQFMBZHWKK-JBJZXSFLSA-N
IUPAC Name	n.a.
Synonyms
Synthetic Gene Cluster	n.a.
ChEMBL Identifier	CHEMBL2413417
PubChem CID	n.a.
Chemical Classification	CHEMONTID:0000000 [Organic compounds]

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 94 98 0 0 0 0 0 0 0 0999 V2000 8.6775 -1.3159 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4558 -0.8216 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2425 -0.4329 0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0633 0.0546 2.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1489 -0.4904 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2453 -0.8885 -1.2601 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8966 -0.0652 0.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 -0.0566 -0.4581 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4626 1.4177 -0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1272 2.0352 0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6979 3.4707 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4331 2.1534 1.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0731 1.3634 1.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7341 -0.0378 1.0763 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3065 -0.2931 0.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4723 -0.7795 1.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9119 -1.1198 1.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4539 -0.2837 0.4390 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9358 -0.3421 0.3529 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5565 -1.6764 0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4488 0.6095 1.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9023 0.8589 1.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4955 1.1174 0.0630 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8503 0.7035 0.1118 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8757 0.4223 -1.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0846 1.3622 -2.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6466 -0.8416 -1.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4226 0.2272 -0.9516 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7788 -0.5925 -2.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3064 -0.1381 -2.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6619 -0.6407 -0.7573 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5814 -2.1639 -0.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2707 -0.0407 -0.6131 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3870 1.4243 -0.9985 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7051 -0.6162 -1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8108 -1.4052 -1.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -0.7994 0.1022 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1432 -2.0069 0.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3517 -2.2346 0.7741 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3163 -2.9313 1.4313 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5158 -0.5454 -1.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7668 -1.6070 -0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1172 -2.2528 -1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2910 -0.7811 1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8731 -0.3202 2.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1165 -0.3176 2.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1163 1.1636 2.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0493 -0.5242 -1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8333 1.6360 -1.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4804 1.8370 -0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5401 4.1836 0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8379 3.7501 0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3522 3.5407 -0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 1.3356 2.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3142 2.1959 0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4223 3.0939 1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3904 1.5475 2.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1119 1.9629 1.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 -0.5551 2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.9825 2.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -2.2087 1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 -0.8767 2.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1754 0.7717 0.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5271 -1.5424 1.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8711 -2.2487 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9631 -2.3351 1.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8646 1.5582 1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2027 0.1193 2.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5091 0.0829 1.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0774 1.7823 2.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5753 2.2337 -0.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0948 0.3487 0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2719 1.3153 -3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0925 1.1735 -2.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1334 2.4231 -1.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5610 -0.5373 -2.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0574 -1.4617 -2.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0631 -1.3591 -0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9641 1.2627 -1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8278 -1.6708 -1.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1491 -0.3808 -3.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4199 0.9877 -2.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8079 -0.5139 -2.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 -2.4396 -2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8345 -2.6274 -0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5516 -2.6253 -0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2141 1.9586 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5959 1.9274 -0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4676 1.4004 -2.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1706 -1.3167 -2.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1336 0.1383 -2.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4713 -2.4377 -0.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5548 -1.5774 -1.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5620 -3.8910 1.5543 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 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 10 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 1 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 6 31 33 1 0 33 34 1 6 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 1 38 39 2 0 38 40 1 0 37 8 1 0 37 14 1 0 33 15 1 0 31 18 1 0 28 19 1 0 1 41 1 0 1 42 1 0 1 43 1 0 2 44 1 0 4 45 1 0 4 46 1 0 4 47 1 0 8 48 1 6 9 49 1 0 9 50 1 0 11 51 1 0 11 52 1 0 11 53 1 0 12 54 1 0 12 55 1 0 12 56 1 0 13 57 1 0 13 58 1 0 14 59 1 1 16 60 1 0 17 61 1 0 17 62 1 0 18 63 1 1 20 64 1 0 20 65 1 0 20 66 1 0 21 67 1 0 21 68 1 0 22 69 1 0 22 70 1 0 23 71 1 6 24 72 1 0 26 73 1 0 26 74 1 0 26 75 1 0 27 76 1 0 27 77 1 0 27 78 1 0 28 79 1 6 29 80 1 0 29 81 1 0 30 82 1 0 30 83 1 0 32 84 1 0 32 85 1 0 32 86 1 0 34 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 40 94 1 0 M END

Standard InCHIKey	BJFLQQFMBZHWKK-JBJZXSFLSA-N
Standard InCHI	InChI=1S/C35H54O5/c1-10-21(2)28(37)40-27-20-30(3,4)19-23-22-11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-34(25,9)33(22,8)17-18-35(23,27)29(38)39/h10-11,23-27,36H,12-20H2,1-9H3,(H,38,39)/b21-10-/t23-,24-,25+,26-,27+,32-,33+,34+,35-/m0/s1
SMILES	C/C=C(/C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)O

Calculated Properties

Physi-Chem Properties

Molecular Weight:	554.4	Volume:	604.539 ? Van der Waals volume.
Dense:	0.917	LogP:	4.769 ? The logarithm of the n-octanol/water distribution coefficients.
logD7.4:	3.855 ? The logarithm of the n-octanol/water distribution coefficient at pH=7.4.	LogS:	-5.32 ? The logarithm of aqueous solubility value.
Rotatable Bonds:	4.0	Rigid Bonds:	29.0
TPSA:	83.83 ? Topological Polar Surface Area.	H-Bond Acceptor:	5.0
H-Bond Donor:	2.0	Rings:	5.0
Heavy Atoms:	5.0

MedChem Properties

QED Drug-Likeness Score:	0.212	GASA:	1.0 ? GASA represents the probability of being difficult to synthesize, ranging from 0 to 1.
Synthetic Accessibility Score:	5.051	Fsp³:	0.829
MCE-18:	110.25 ? MCE-18 stands for medicinal chemistry evolution.MCE-18≥45 is considered a suitable value.	Lipinski Rule-of-5:	Rejected
Pfizer Rule:	Rejected	GSK Rule:	Accepted
Golden Triangle Rule:	Accepted	BMS Rule:	0
Chelating Alert:	0	PAINS Alert:	0
Colloidal aggregators:	0.821	Fluc inhibitor:	0.004 ? The fluc inhibitor value is the probability of being fLuc inhibitors, within the range of 0 to 1.
Blue fluorescence:	0.007 ? The blue fluorescence value is the probability of being blue fluorescence, within the range of 0 to 1	Green fluorescence:	0.0 ? The green fluorescence value is the probability of being green fluorescence, within the range of 0 to 1
Reactive compounds:	0.347	Promiscuous compounds:	0.161

ADMET Properties (ADMETlab3.0)

ADMET: Absorption

Caco-2 Permeability:	-5.469	MDCK Permeability:	-5.129
Pgp-inhibitor:	0.013	Pgp-substrate:	0.055
PAMPA:	0.999 ? 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):	0.019
20% Bioavailability (F20%):	0.948	30% Bioavailability (F30%):	0.489
50% Bioavailability (F50%):	0.999

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.56	MRP1:	0.99
Plasma Protein Binding (PPB):	96.646%	Volume Distribution (VD):	-0.235
Fu:	3.881% ? The fraction unbound in plasms.	OATP1B1 inhibitor:	1.0
OATP1B3 inhibitor:	0.852	BCRP inhibitor:	0.118
BSEP inhibitor:	0.883

ADMET: Metabolism

CYP1A2-inhibitor:	0.0	CYP1A2-substrate:	0.789
CYP2C19-inhibitor:	0.974	CYP2C19-substrate:	1.0
CYP2C9-inhibitor:	0.227	CYP2C9-substrate:	0.0
CYP2D6-inhibitor:	0.0	CYP2D6-substrate:	0.021
CYP3A4-inhibitor:	0.056	CYP3A4-substrate:	1.0
CYP2B6-substrate:	0.0	CYP2C8-inhibitor:	0.831
HLM stability:	0.989 ? 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):

4.799

Half-life (T1/2):

0.686

ADMET: Toxicity

hERG Blockers:	0.011	hERG Blockers (10um):	0.021
Human Hepatotoxicity (H-HT):	0.495	Drug-induced Liver Injury (DILI):	0.517
AMES Toxicity:	0.35	Rat Oral Acute Toxicity:	0.477
Maximum Recommended Daily Dose:	0.535	Skin Sensitization:	0.976
Carcinogencity:	0.886	Eye Corrosion:	0.058
Eye Irritation:	0.329	Respiratory Toxicity:	0.789
Drug-induced Neurotoxicity:	0.014	Ototoxicity:	0.535
Hematotoxicity:	0.605	Drug-induced Nephrotoxicity:	0.974
Genotoxicity:	0.819	RPMI-8226 Immunitoxicity:	0.044
A549 Cytotoxicity:	0.243	Hek293 Cytotoxicity:	0.141
BCF:	1.464 ? 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:	4.441 ? 48 hour Tetrahymena pyriformis IGC50. The unit of IGC50 is -log10[(mg/L)/(1000*MW)].
LC50DM:	5.897 ? 48 hour Daphnia magna LC50. The unit of LC50DM is -log10[(mg/L)/(1000*MW)].	LC50FM:	5.388 ? 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
NPO58360	Lantana camara L.	Genus	Verbenaceae	Eukaryota	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
IC50	11
GI50	118
Activity	322
TGI	114
GI	60
Inhibition	2

Activity Type	# Activity
Cell line	591
Unchecked	1
Individual protein	2
Protein complex group	1
Non-molecular	32

Molecular-level activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT981	Individual protein	Inhibitor of nuclear factor kappa B kinase beta subunit	Homo sapiens	IC50	=	2620.0	nM	PMID[24457265]
NPT29671	Protein complex group	Nuclear factor NF-kappa-B complex	Homo sapiens	IC50	=	980.0	nM	PMID[25027934]
NPT981	Individual protein	Inhibitor of nuclear factor kappa B kinase beta subunit	Homo sapiens	IC50	=	2620.0	nM	PMID[25027934]

In vitro activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT170	Cell line	SK-MEL-28	Homo sapiens	GI50	=	1900.0	nM	PMID[23644211]
NPT383	Cell line	SNB-19	Homo sapiens	GI50	=	1659.59	nM	PMID[23644211]
NPT369	Cell line	ACHN	Homo sapiens	Activity	=	87.0	%	PMID[23644211]
NPT386	Cell line	KM12	Homo sapiens	Activity	=	69.0	%	PMID[23644211]
NPT81	Cell line	A549	Homo sapiens	Activity	=	61.0	%	PMID[23644211]
NPT458	Cell line	IGROV-1	Homo sapiens	TGI	=	4677.35	nM	PMID[23644211]
NPT399	Cell line	SF-295	Homo sapiens	TGI	=	3548.13	nM	PMID[23644211]
NPT458	Cell line	IGROV-1	Homo sapiens	Activity	=	-58.0	%	PMID[23644211]
NPT170	Cell line	SK-MEL-28	Homo sapiens	Activity	=	-41.0	%	PMID[23644211]
NPT400	Cell line	MDA-MB-435	Homo sapiens	Activity	=	-47.0	%	PMID[23644211]
NPT390	Cell line	LOX IMVI	Homo sapiens	Activity	=	-62.0	%	PMID[23644211]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	-64.0	%	PMID[23644211]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	-62.0	%	PMID[23644211]
NPT170	Cell line	SK-MEL-28	Homo sapiens	Activity	=	88.0	%	PMID[23644211]
NPT390	Cell line	LOX IMVI	Homo sapiens	Activity	=	97.0	%	PMID[23644211]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	97.0	%	PMID[23644211]
NPT374	Cell line	SF-539	Homo sapiens	TGI	=	11481.54	nM	PMID[23644211]
NPT406	Cell line	RXF 393	Homo sapiens	Activity	=	87.0	%	PMID[23644211]
NPT90	Cell line	DU-145	Homo sapiens	Activity	=	115.0	%	PMID[23644211]
NPT401	Cell line	786-0	Homo sapiens	Activity	=	97.0	%	PMID[23644211]
NPT90	Cell line	DU-145	Homo sapiens	TGI	=	4040.0	nM	PMID[23644211]
NPT170	Cell line	SK-MEL-28	Homo sapiens	TGI	=	4270.0	nM	PMID[23644211]
NPT368	Cell line	SN12C	Homo sapiens	TGI	=	3467.37	nM	PMID[23644211]
NPT82	Cell line	MDA-MB-231	Homo sapiens	GI50	=	1659.59	nM	PMID[23644211]
NPT376	Cell line	A498	Homo sapiens	GI50	=	1548.82	nM	PMID[23644211]
NPT375	Cell line	Malme-3M	Homo sapiens	GI50	=	1819.7	nM	PMID[23644211]
NPT384	Cell line	TK-10	Homo sapiens	GI50	=	2238.72	nM	PMID[23644211]
NPT455	Cell line	NCI-H522	Homo sapiens	GI50	=	2187.76	nM	PMID[23644211]
NPT112	Cell line	MOLT-4	Homo sapiens	GI50	=	2041.74	nM	PMID[23644211]
NPT323	Cell line	SW-620	Homo sapiens	TGI	=	6620.0	nM	PMID[23644211]
NPT456	Cell line	OVCAR-4	Homo sapiens	Activity	=	99.0	%	PMID[23644211]
NPT457	Cell line	BT-549	Homo sapiens	Activity	=	99.0	%	PMID[23644211]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	95.0	%	PMID[23644211]
NPT407	Cell line	COLO 205	Homo sapiens	Activity	=	28.23	%	PMID[23644211]
NPT112	Cell line	MOLT-4	Homo sapiens	Activity	=	41.44	%	PMID[23644211]
NPT308	Cell line	CAKI-1	Homo sapiens	GI	=	70.54	%	PMID[23644211]
NPT401	Cell line	786-0	Homo sapiens	GI	n.a.	n.a.	n.a.	PMID[23644211]
NPT383	Cell line	SNB-19	Homo sapiens	TGI	=	3370.0	nM	PMID[23644211]
NPT380	Cell line	U-251	Homo sapiens	Activity	=	90.0	%	PMID[23644211]
NPT308	Cell line	CAKI-1	Homo sapiens	Activity	=	96.0	%	PMID[23644211]
NPT81	Cell line	A549	Homo sapiens	Activity	=	93.0	%	PMID[23644211]
NPT405	Cell line	NCI-H226	Homo sapiens	TGI	=	3801.89	nM	PMID[23644211]
NPT398	Cell line	UACC-62	Homo sapiens	Activity	=	78.0	%	PMID[23644211]
NPT784	Cell line	MDA-MB-468	Homo sapiens	TGI	=	3630.78	nM	PMID[23644211]
NPT375	Cell line	Malme-3M	Homo sapiens	Activity	=	94.0	%	PMID[23644211]
NPT405	Cell line	NCI-H226	Homo sapiens	Activity	=	94.0	%	PMID[23644211]
NPT90	Cell line	DU-145	Homo sapiens	GI50	=	2120.0	nM	PMID[23644211]
NPT90	Cell line	DU-145	Homo sapiens	GI	=	25.06	%	PMID[23644211]
NPT380	Cell line	U-251	Homo sapiens	GI	=	61.79	%	PMID[23644211]
NPT456	Cell line	OVCAR-4	Homo sapiens	Activity	=	63.23	%	PMID[23644211]
NPT382	Cell line	OVCAR-5	Homo sapiens	GI50	=	3380.0	nM	PMID[23644211]
NPT407	Cell line	COLO 205	Homo sapiens	GI50	=	2110.0	nM	PMID[23644211]
NPT81	Cell line	A549	Homo sapiens	GI50	=	1190.0	nM	PMID[23644211]
NPT784	Cell line	MDA-MB-468	Homo sapiens	GI50	=	1680.0	nM	PMID[23644211]
NPT395	Cell line	SF-268	Homo sapiens	GI50	=	2160.0	nM	PMID[23644211]
NPT368	Cell line	SN12C	Homo sapiens	Activity	=	5.77	%	PMID[23644211]
NPT388	Cell line	NCI-H322M	Homo sapiens	Activity	=	-8.43	%	PMID[23644211]
NPT404	Cell line	CCRF-CEM	Homo sapiens	Activity	=	45.79	%	PMID[23644211]
NPT373	Cell line	SK-MEL-5	Homo sapiens	GI	=	46.77	%	PMID[23644211]
NPT393	Cell line	HCT-116	Homo sapiens	GI	=	80.02	%	PMID[23644211]
NPT398	Cell line	UACC-62	Homo sapiens	GI	n.a.	n.a.	n.a.	PMID[23644211]
NPT376	Cell line	A498	Homo sapiens	TGI	=	3388.44	nM	PMID[23644211]
NPT389	Cell line	RPMI-8226	Homo sapiens	Activity	=	92.0	%	PMID[23644211]
NPT383	Cell line	SNB-19	Homo sapiens	Activity	=	90.0	%	PMID[23644211]
NPT403	Cell line	UACC-257	Homo sapiens	Activity	=	95.0	%	PMID[23644211]
NPT399	Cell line	SF-295	Homo sapiens	Activity	=	81.0	%	PMID[23644211]
NPT370	Cell line	NCI-H23	Homo sapiens	TGI	=	5888.44	nM	PMID[23644211]
NPT372	Cell line	HOP-92	Homo sapiens	TGI	=	2951.21	nM	PMID[23644211]
NPT369	Cell line	ACHN	Homo sapiens	Activity	=	8.12	%	PMID[23644211]
NPT383	Cell line	SNB-19	Homo sapiens	Activity	=	-52.99	%	PMID[23644211]
NPT368	Cell line	SN12C	Homo sapiens	GI50	=	1630.0	nM	PMID[23644211]
NPT369	Cell line	ACHN	Homo sapiens	GI50	=	1820.0	nM	PMID[23644211]
NPT379	Cell line	HOP-62	Homo sapiens	GI50	=	1870.0	nM	PMID[23644211]
NPT396	Cell line	T47D	Homo sapiens	TGI	=	41100.0	nM	PMID[23644211]
NPT371	Cell line	UO-31	Homo sapiens	GI50	=	1659.59	nM	PMID[23644211]
NPT147	Cell line	SK-MEL-2	Homo sapiens	TGI	=	4270.0	nM	PMID[23644211]
NPT116	Cell line	HL-60	Homo sapiens	Activity	=	42.0	%	DOI[10.1007/s00044-012-0354-x]
NPT371	Cell line	UO-31	Homo sapiens	TGI	=	3090.3	nM	PMID[23644211]
NPT386	Cell line	KM12	Homo sapiens	GI50	=	1348.96	nM	PMID[23644211]
NPT389	Cell line	RPMI-8226	Homo sapiens	GI50	=	1862.09	nM	PMID[23644211]
NPT393	Cell line	HCT-116	Homo sapiens	IC50	=	1200.0	nM	DOI[10.1007/s00044-012-0354-x]
NPT388	Cell line	NCI-H322M	Homo sapiens	GI50	=	1780.0	nM	PMID[23644211]
NPT116	Cell line	HL-60	Homo sapiens	Inhibition	n.a.	n.a.	%	DOI[10.1007/s00044-012-0354-x]
NPT116	Cell line	HL-60	Homo sapiens	Activity	=	3.2	%	DOI[10.1007/s00044-012-0354-x]
NPT403	Cell line	UACC-257	Homo sapiens	GI50	=	2130.0	nM	PMID[23644211]
NPT385	Cell line	SR	Homo sapiens	GI50	=	2140.0	nM	PMID[23644211]
NPT116	Cell line	HL-60	Homo sapiens	Activity	n.a.	n.a.	n.a.	DOI[10.1007/s00044-012-0354-x]
NPT116	Cell line	HL-60	Homo sapiens	Activity	=	44.8	%	DOI[10.1007/s00044-012-0354-x]
NPT457	Cell line	BT-549	Homo sapiens	GI	=	73.91	%	PMID[23644211]
NPT81	Cell line	A549	Homo sapiens	GI	=	72.64	%	PMID[23644211]
NPT81	Cell line	A549	Homo sapiens	Activity	<	5.0	%	PMID[24457265]
NPT170	Cell line	SK-MEL-28	Homo sapiens	GI50	=	1905.46	nM	PMID[23644211]
NPT148	Cell line	HCT-15	Homo sapiens	GI50	=	2570.4	nM	PMID[23644211]
NPT396	Cell line	T47D	Homo sapiens	GI	=	24.3	%	PMID[23644211]
NPT83	Cell line	MCF7	Homo sapiens	GI	=	38.99	%	PMID[23644211]
NPT407	Cell line	COLO 205	Homo sapiens	GI	=	71.77	%	PMID[23644211]
NPT400	Cell line	MDA-MB-435	Homo sapiens	GI50	=	2187.76	nM	PMID[23644211]
NPT395	Cell line	SF-268	Homo sapiens	GI50	=	2137.96	nM	PMID[23644211]
NPT387	Cell line	M14	Homo sapiens	TGI	=	3890.45	nM	PMID[23644211]
NPT784	Cell line	MDA-MB-468	Homo sapiens	GI50	=	1698.24	nM	PMID[23644211]
NPT306	Cell line	PC-3	Homo sapiens	GI50	=	1348.96	nM	PMID[23644211]
NPT370	Cell line	NCI-H23	Homo sapiens	GI50	=	2390.0	nM	PMID[23644211]
NPT385	Cell line	SR	Homo sapiens	TGI	=	5630.0	nM	PMID[23644211]
NPT379	Cell line	HOP-62	Homo sapiens	TGI	=	3550.0	nM	PMID[23644211]
NPT147	Cell line	SK-MEL-2	Homo sapiens	GI50	=	2200.0	nM	PMID[23644211]
NPT397	Cell line	NCI-H460	Homo sapiens	GI50	=	2818.38	nM	PMID[23644211]
NPT784	Cell line	MDA-MB-468	Homo sapiens	Activity	=	84.0	%	PMID[23644211]
NPT388	Cell line	NCI-H322M	Homo sapiens	TGI	=	3467.37	nM	PMID[23644211]
NPT306	Cell line	PC-3	Homo sapiens	Activity	=	92.0	%	PMID[23644211]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	104.0	%	PMID[23644211]
NPT148	Cell line	HCT-15	Homo sapiens	Activity	=	100.0	%	PMID[23644211]
NPT372	Cell line	HOP-92	Homo sapiens	Activity	=	-54.16	%	PMID[23644211]
NPT392	Cell line	SNB-75	Homo sapiens	Activity	=	76.0	%	PMID[23644211]
NPT397	Cell line	NCI-H460	Homo sapiens	Activity	=	89.0	%	PMID[23644211]
NPT382	Cell line	OVCAR-5	Homo sapiens	Activity	=	103.0	%	PMID[23644211]
NPT396	Cell line	T47D	Homo sapiens	Activity	=	96.0	%	PMID[23644211]
NPT146	Cell line	SK-OV-3	Homo sapiens	Activity	=	98.0	%	PMID[23644211]
NPT112	Cell line	MOLT-4	Homo sapiens	Activity	=	89.0	%	PMID[23644211]
NPT377	Cell line	OVCAR-3	Homo sapiens	Activity	=	112.0	%	PMID[23644211]
NPT784	Cell line	MDA-MB-468	Homo sapiens	GI	=	33.91	%	PMID[23644211]
NPT372	Cell line	HOP-92	Homo sapiens	Activity	=	91.0	%	PMID[23644211]
NPT306	Cell line	PC-3	Homo sapiens	TGI	=	2840.0	nM	PMID[23644211]
NPT382	Cell line	OVCAR-5	Homo sapiens	TGI	=	8900.0	nM	PMID[23644211]
NPT147	Cell line	SK-MEL-2	Homo sapiens	Activity	=	-71.0	%	PMID[23644211]
NPT398	Cell line	UACC-62	Homo sapiens	Activity	=	-28.1	%	PMID[23644211]
NPT400	Cell line	MDA-MB-435	Homo sapiens	Activity	=	64.91	%	PMID[23644211]
NPT148	Cell line	HCT-15	Homo sapiens	Activity	=	101.0	%	PMID[23644211]
NPT401	Cell line	786-0	Homo sapiens	Activity	=	-55.0	%	PMID[23644211]
NPT369	Cell line	ACHN	Homo sapiens	Activity	=	-69.0	%	PMID[23644211]
NPT308	Cell line	CAKI-1	Homo sapiens	TGI	=	9120.11	nM	PMID[23644211]
NPT81	Cell line	A549	Homo sapiens	IC50	=	790.0	nM	PMID[24457265]
NPT170	Cell line	SK-MEL-28	Homo sapiens	GI	=	66.33	%	PMID[23644211]
NPT375	Cell line	Malme-3M	Homo sapiens	GI	=	64.77	%	PMID[23644211]
NPT323	Cell line	SW-620	Homo sapiens	GI	=	60.88	%	PMID[23644211]
NPT306	Cell line	PC-3	Homo sapiens	GI	=	66.72	%	PMID[23644211]
NPT406	Cell line	RXF 393	Homo sapiens	GI	=	77.23	%	PMID[23644211]
NPT399	Cell line	SF-295	Homo sapiens	TGI	=	3540.0	nM	PMID[23644211]
NPT82	Cell line	MDA-MB-231	Homo sapiens	Activity	=	89.0	%	PMID[23644211]
NPT306	Cell line	PC-3	Homo sapiens	Activity	=	70.0	%	PMID[23644211]
NPT395	Cell line	SF-268	Homo sapiens	Activity	=	106.0	%	PMID[23644211]
NPT83	Cell line	MCF7	Homo sapiens	TGI	=	16500.0	nM	PMID[23644211]
NPT406	Cell line	RXF 393	Homo sapiens	TGI	=	3830.0	nM	PMID[23644211]
NPT384	Cell line	TK-10	Homo sapiens	TGI	=	4630.0	nM	PMID[23644211]
NPT392	Cell line	SNB-75	Homo sapiens	TGI	=	5370.0	nM	PMID[23644211]
NPT392	Cell line	SNB-75	Homo sapiens	Activity	=	11.95	%	PMID[23644211]
NPT81	Cell line	A549	Homo sapiens	Activity	=	27.36	%	PMID[23644211]
NPT147	Cell line	SK-MEL-2	Homo sapiens	TGI	=	4265.8	nM	PMID[23644211]
NPT381	Cell line	OVCAR-8	Homo sapiens	Activity	=	-39.0	%	PMID[23644211]
NPT455	Cell line	NCI-H522	Homo sapiens	Activity	=	-66.0	%	PMID[23644211]
NPT388	Cell line	NCI-H322M	Homo sapiens	Activity	=	93.0	%	PMID[23644211]
NPT83	Cell line	MCF7	Homo sapiens	Activity	=	96.0	%	PMID[23644211]
NPT389	Cell line	RPMI-8226	Homo sapiens	TGI	=	8709.64	nM	PMID[23644211]
NPT377	Cell line	OVCAR-3	Homo sapiens	Activity	=	-48.0	%	PMID[23644211]
NPT456	Cell line	OVCAR-4	Homo sapiens	TGI	=	3715.35	nM	PMID[23644211]
NPT399	Cell line	SF-295	Homo sapiens	GI50	=	1621.81	nM	PMID[23644211]
NPT90	Cell line	DU-145	Homo sapiens	Activity	=	74.94	%	PMID[23644211]
NPT403	Cell line	UACC-257	Homo sapiens	Activity	=	60.58	%	PMID[23644211]
NPT116	Cell line	HL-60	Homo sapiens	Activity	=	57.0	%	DOI[10.1007/s00044-012-0354-x]
NPT116	Cell line	HL-60	Homo sapiens	Activity	=	14.0	%	DOI[10.1007/s00044-012-0354-x]
NPT388	Cell line	NCI-H322M	Homo sapiens	GI	n.a.	n.a.	n.a.	PMID[23644211]
NPT116	Cell line	HL-60	Homo sapiens	Activity	=	0.2	%	DOI[10.1007/s00044-012-0354-x]
NPT139	Cell line	HT-29	Homo sapiens	GI50	=	2160.0	nM	PMID[23644211]
NPT82	Cell line	MDA-MB-231	Homo sapiens	TGI	=	3140.0	nM	PMID[23644211]
NPT323	Cell line	SW-620	Homo sapiens	Activity	=	90.0	%	PMID[23644211]
NPT404	Cell line	CCRF-CEM	Homo sapiens	Activity	=	100.0	%	PMID[23644211]
NPT90	Cell line	DU-145	Homo sapiens	Activity	=	113.0	%	PMID[23644211]
NPT306	Cell line	PC-3	Homo sapiens	TGI	=	2818.38	nM	PMID[23644211]
NPT380	Cell line	U-251	Homo sapiens	TGI	=	3235.94	nM	PMID[23644211]
NPT377	Cell line	OVCAR-3	Homo sapiens	GI50	=	1950.0	nM	PMID[23644211]
NPT396	Cell line	T47D	Homo sapiens	GI50	=	11800.0	nM	PMID[23644211]
NPT374	Cell line	SF-539	Homo sapiens	GI50	=	3388.44	nM	PMID[23644211]
NPT139	Cell line	HT-29	Homo sapiens	GI50	=	2137.96	nM	PMID[23644211]
NPT401	Cell line	786-0	Homo sapiens	TGI	=	3388.44	nM	PMID[23644211]
NPT384	Cell line	TK-10	Homo sapiens	GI50	=	2250.0	nM	PMID[23644211]
NPT375	Cell line	Malme-3M	Homo sapiens	GI50	=	1830.0	nM	PMID[23644211]
NPT455	Cell line	NCI-H522	Homo sapiens	GI50	=	2180.0	nM	PMID[23644211]
NPT406	Cell line	RXF 393	Homo sapiens	Activity	=	22.77	%	PMID[23644211]
NPT111	Cell line	K562	Homo sapiens	Activity	=	35.86	%	PMID[23644211]
NPT407	Cell line	COLO 205	Homo sapiens	Activity	=	107.0	%	PMID[23644211]
NPT371	Cell line	UO-31	Homo sapiens	Activity	=	-66.0	%	PMID[23644211]
NPT457	Cell line	BT-549	Homo sapiens	Activity	=	95.0	%	PMID[23644211]
NPT400	Cell line	MDA-MB-435	Homo sapiens	Activity	=	94.0	%	PMID[23644211]
NPT146	Cell line	SK-OV-3	Homo sapiens	Activity	=	100.0	%	PMID[23644211]
NPT387	Cell line	M14	Homo sapiens	Activity	=	100.0	%	PMID[23644211]
NPT83	Cell line	MCF7	Homo sapiens	GI50	=	3090.3	nM	PMID[23644211]
NPT373	Cell line	SK-MEL-5	Homo sapiens	GI50	=	1778.28	nM	PMID[23644211]
NPT407	Cell line	COLO 205	Homo sapiens	GI50	=	2089.3	nM	PMID[23644211]
NPT116	Cell line	HL-60	Homo sapiens	Activity	=	0.4	%	DOI[10.1007/s00044-012-0354-x]
NPT924	Cell line	HSC-2	Homo sapiens	IC50	=	6100.0	nM	DOI[10.1007/s00044-012-0354-x]
NPT116	Cell line	HL-60	Homo sapiens	Activity	=	34.4	%	DOI[10.1007/s00044-012-0354-x]
NPT116	Cell line	HL-60	Homo sapiens	Activity	=	20.8	%	DOI[10.1007/s00044-012-0354-x]
NPT116	Cell line	HL-60	Homo sapiens	IC50	=	1500.0	nM	DOI[10.1007/s00044-012-0354-x]
NPT455	Cell line	NCI-H522	Homo sapiens	Activity	=	49.73	%	PMID[23644211]
NPT401	Cell line	786-0	Homo sapiens	TGI	=	3410.0	nM	PMID[23644211]
NPT375	Cell line	Malme-3M	Homo sapiens	TGI	=	3750.0	nM	PMID[23644211]
NPT389	Cell line	RPMI-8226	Homo sapiens	Activity	=	-15.0	%	PMID[23644211]
NPT457	Cell line	BT-549	Homo sapiens	Activity	=	100.0	%	PMID[23644211]
NPT386	Cell line	KM12	Homo sapiens	Activity	=	103.0	%	PMID[23644211]
NPT386	Cell line	KM12	Homo sapiens	Activity	=	104.0	%	PMID[23644211]
NPT375	Cell line	Malme-3M	Homo sapiens	TGI	=	3715.35	nM	PMID[23644211]
NPT369	Cell line	ACHN	Homo sapiens	TGI	=	4073.8	nM	PMID[23644211]
NPT82	Cell line	MDA-MB-231	Homo sapiens	GI50	=	1650.0	nM	PMID[23644211]
NPT405	Cell line	NCI-H226	Homo sapiens	GI50	=	1710.0	nM	PMID[23644211]
NPT390	Cell line	LOX IMVI	Homo sapiens	Activity	=	100.0	%	PMID[23644211]
NPT380	Cell line	U-251	Homo sapiens	Activity	=	38.21	%	PMID[23644211]
NPT323	Cell line	SW-620	Homo sapiens	Activity	=	39.12	%	PMID[23644211]
NPT456	Cell line	OVCAR-4	Homo sapiens	Activity	=	-21.0	%	PMID[23644211]
NPT397	Cell line	NCI-H460	Homo sapiens	Activity	=	-37.0	%	PMID[23644211]
NPT455	Cell line	NCI-H522	Homo sapiens	Activity	=	102.0	%	PMID[23644211]
NPT405	Cell line	NCI-H226	Homo sapiens	Activity	=	91.0	%	PMID[23644211]
NPT368	Cell line	SN12C	Homo sapiens	Activity	=	83.0	%	PMID[23644211]
NPT368	Cell line	SN12C	Homo sapiens	GI50	=	1621.81	nM	PMID[23644211]
NPT308	Cell line	CAKI-1	Homo sapiens	GI50	=	2454.71	nM	PMID[23644211]
NPT381	Cell line	OVCAR-8	Homo sapiens	GI50	=	1905.46	nM	PMID[23644211]
NPT377	Cell line	OVCAR-3	Homo sapiens	GI50	=	1949.84	nM	PMID[23644211]
NPT380	Cell line	U-251	Homo sapiens	GI50	=	1584.89	nM	PMID[23644211]
NPT392	Cell line	SNB-75	Homo sapiens	GI50	=	1778.28	nM	PMID[23644211]
NPT379	Cell line	HOP-62	Homo sapiens	GI50	=	1862.09	nM	PMID[23644211]
NPT387	Cell line	M14	Homo sapiens	Activity	=	-48.0	%	PMID[23644211]
NPT380	Cell line	U-251	Homo sapiens	Activity	=	-52.0	%	PMID[23644211]
NPT376	Cell line	A498	Homo sapiens	GI50	=	1540.0	nM	PMID[23644211]
NPT401	Cell line	786-0	Homo sapiens	GI50	=	1810.0	nM	PMID[23644211]
NPT458	Cell line	IGROV-1	Homo sapiens	GI50	=	2320.0	nM	PMID[23644211]
NPT390	Cell line	LOX IMVI	Homo sapiens	GI50	=	3390.0	nM	PMID[23644211]
NPT111	Cell line	K562	Homo sapiens	GI50	=	2640.0	nM	PMID[23644211]
NPT784	Cell line	MDA-MB-468	Homo sapiens	Activity	=	86.0	%	PMID[23644211]
NPT371	Cell line	UO-31	Homo sapiens	Activity	=	96.0	%	PMID[23644211]
NPT147	Cell line	SK-MEL-2	Homo sapiens	Activity	=	106.0	%	PMID[23644211]
NPT83	Cell line	MCF7	Homo sapiens	TGI	=	16595.87	nM	PMID[23644211]
NPT379	Cell line	HOP-62	Homo sapiens	Activity	=	24.33	%	PMID[23644211]
NPT385	Cell line	SR	Homo sapiens	Activity	=	61.91	%	PMID[23644211]
NPT112	Cell line	MOLT-4	Homo sapiens	TGI	=	5128.61	nM	PMID[23644211]
NPT398	Cell line	UACC-62	Homo sapiens	Activity	=	-70.0	%	PMID[23644211]
NPT323	Cell line	SW-620	Homo sapiens	Activity	=	-32.0	%	PMID[23644211]
NPT83	Cell line	MCF7	Homo sapiens	Activity	=	88.0	%	PMID[23644211]
NPT381	Cell line	OVCAR-8	Homo sapiens	Activity	=	99.0	%	PMID[23644211]
NPT384	Cell line	TK-10	Homo sapiens	Activity	=	103.0	%	PMID[23644211]
NPT323	Cell line	SW-620	Homo sapiens	GI50	=	2290.87	nM	PMID[23644211]
NPT384	Cell line	TK-10	Homo sapiens	Activity	=	-69.0	%	PMID[23644211]
NPT146	Cell line	SK-OV-3	Homo sapiens	Activity	=	4.0	%	PMID[23644211]
NPT392	Cell line	SNB-75	Homo sapiens	Activity	=	78.0	%	PMID[23644211]
NPT403	Cell line	UACC-257	Homo sapiens	Activity	=	93.0	%	PMID[23644211]
NPT373	Cell line	SK-MEL-5	Homo sapiens	Activity	=	95.0	%	PMID[23644211]
NPT375	Cell line	Malme-3M	Homo sapiens	Activity	=	-62.0	%	PMID[23644211]
NPT395	Cell line	SF-268	Homo sapiens	Activity	=	-34.0	%	PMID[23644211]
NPT370	Cell line	NCI-H23	Homo sapiens	TGI	=	5930.0	nM	PMID[23644211]
NPT406	Cell line	RXF 393	Homo sapiens	GI50	=	1778.28	nM	PMID[23644211]
NPT382	Cell line	OVCAR-5	Homo sapiens	GI50	=	3388.44	nM	PMID[23644211]
NPT458	Cell line	IGROV-1	Homo sapiens	GI50	=	2290.87	nM	PMID[23644211]
NPT387	Cell line	M14	Homo sapiens	GI50	=	1819.7	nM	PMID[23644211]
NPT306	Cell line	PC-3	Homo sapiens	Activity	=	-73.0	%	PMID[23644211]
NPT407	Cell line	COLO 205	Homo sapiens	Activity	=	3.0	%	PMID[23644211]
NPT397	Cell line	NCI-H460	Homo sapiens	TGI	=	11748.98	nM	PMID[23644211]
NPT379	Cell line	HOP-62	Homo sapiens	TGI	=	3548.13	nM	PMID[23644211]
NPT385	Cell line	SR	Homo sapiens	TGI	=	5623.41	nM	PMID[23644211]
NPT376	Cell line	A498	Homo sapiens	TGI	=	3370.0	nM	PMID[23644211]
NPT400	Cell line	MDA-MB-435	Homo sapiens	TGI	=	5900.0	nM	PMID[23644211]
NPT458	Cell line	IGROV-1	Homo sapiens	Activity	=	35.13	%	PMID[23644211]
NPT401	Cell line	786-0	Homo sapiens	Activity	=	-42.93	%	PMID[23644211]
NPT396	Cell line	T47D	Homo sapiens	Activity	=	-36.0	%	PMID[23644211]
NPT404	Cell line	CCRF-CEM	Homo sapiens	TGI	=	6520.0	nM	PMID[23644211]
NPT371	Cell line	UO-31	Homo sapiens	Activity	=	89.0	%	PMID[23644211]
NPT456	Cell line	OVCAR-4	Homo sapiens	Activity	=	88.0	%	PMID[23644211]
NPT306	Cell line	PC-3	Homo sapiens	Activity	=	88.0	%	PMID[23644211]
NPT398	Cell line	UACC-62	Homo sapiens	Activity	=	88.0	%	PMID[23644211]
NPT395	Cell line	SF-268	Homo sapiens	Activity	=	101.0	%	PMID[23644211]
NPT392	Cell line	SNB-75	Homo sapiens	TGI	=	5370.32	nM	PMID[23644211]
NPT386	Cell line	KM12	Homo sapiens	Activity	=	-29.0	%	PMID[23644211]
NPT405	Cell line	NCI-H226	Homo sapiens	Activity	=	-73.0	%	PMID[23644211]
NPT379	Cell line	HOP-62	Homo sapiens	Activity	=	-37.0	%	PMID[23644211]
NPT384	Cell line	TK-10	Homo sapiens	Activity	=	106.0	%	PMID[23644211]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	82.0	%	PMID[23644211]
NPT385	Cell line	SR	Homo sapiens	Activity	=	89.0	%	PMID[23644211]
NPT375	Cell line	Malme-3M	Homo sapiens	Activity	=	92.0	%	PMID[23644211]
NPT387	Cell line	M14	Homo sapiens	Activity	=	92.0	%	PMID[23644211]
NPT385	Cell line	SR	Homo sapiens	Activity	=	81.0	%	PMID[23644211]
NPT112	Cell line	MOLT-4	Homo sapiens	Activity	=	98.0	%	PMID[23644211]
NPT82	Cell line	MDA-MB-231	Homo sapiens	Activity	=	99.0	%	PMID[23644211]
NPT111	Cell line	K562	Homo sapiens	TGI	=	30199.52	nM	PMID[23644211]
NPT393	Cell line	HCT-116	Homo sapiens	Activity	=	19.98	%	PMID[23644211]
NPT371	Cell line	UO-31	Homo sapiens	Activity	=	93.0	%	PMID[23644211]
NPT382	Cell line	OVCAR-5	Homo sapiens	Activity	=	100.0	%	PMID[23644211]
NPT376	Cell line	A498	Homo sapiens	Activity	=	-31.78	%	PMID[23644211]
NPT148	Cell line	HCT-15	Homo sapiens	Activity	=	21.19	%	PMID[23644211]
NPT397	Cell line	NCI-H460	Homo sapiens	Activity	=	35.13	%	PMID[23644211]
NPT383	Cell line	SNB-19	Homo sapiens	Activity	=	85.0	%	PMID[23644211]
NPT386	Cell line	KM12	Homo sapiens	TGI	=	2930.0	nM	PMID[23644211]
NPT81	Cell line	A549	Homo sapiens	IC50	=	790.0	nM	PMID[25027934]
NPT371	Cell line	UO-31	Homo sapiens	TGI	=	3120.0	nM	PMID[23644211]
NPT83	Cell line	MCF7	Homo sapiens	Activity	=	-39.0	%	PMID[23644211]
NPT388	Cell line	NCI-H322M	Homo sapiens	TGI	=	3460.0	nM	PMID[23644211]
NPT81	Cell line	A549	Homo sapiens	TGI	=	2760.0	nM	PMID[23644211]
NPT373	Cell line	SK-MEL-5	Homo sapiens	Activity	=	83.0	%	PMID[23644211]
NPT388	Cell line	NCI-H322M	Homo sapiens	Activity	=	102.0	%	PMID[23644211]
NPT369	Cell line	ACHN	Homo sapiens	GI50	=	1819.7	nM	PMID[23644211]
NPT398	Cell line	UACC-62	Homo sapiens	GI50	=	1548.82	nM	PMID[23644211]
NPT403	Cell line	UACC-257	Homo sapiens	GI50	=	2137.96	nM	PMID[23644211]
NPT387	Cell line	M14	Homo sapiens	Activity	=	28.68	%	PMID[23644211]
NPT403	Cell line	UACC-257	Homo sapiens	TGI	=	4930.0	nM	PMID[23644211]
NPT398	Cell line	UACC-62	Homo sapiens	TGI	=	3500.0	nM	PMID[23644211]
NPT455	Cell line	NCI-H522	Homo sapiens	TGI	=	5420.0	nM	PMID[23644211]
NPT405	Cell line	NCI-H226	Homo sapiens	TGI	=	3790.0	nM	PMID[23644211]
NPT377	Cell line	OVCAR-3	Homo sapiens	Activity	=	106.0	%	PMID[23644211]
NPT170	Cell line	SK-MEL-28	Homo sapiens	Activity	=	90.0	%	PMID[23644211]
NPT457	Cell line	BT-549	Homo sapiens	Activity	=	-90.0	%	PMID[23644211]
NPT370	Cell line	NCI-H23	Homo sapiens	Activity	=	-51.0	%	PMID[23644211]
NPT90	Cell line	DU-145	Homo sapiens	Activity	=	109.0	%	PMID[23644211]
NPT404	Cell line	CCRF-CEM	Homo sapiens	GI50	=	2310.0	nM	PMID[23644211]
NPT370	Cell line	NCI-H23	Homo sapiens	Activity	=	99.0	%	PMID[23644211]
NPT399	Cell line	SF-295	Homo sapiens	Activity	=	93.0	%	PMID[23644211]
NPT82	Cell line	MDA-MB-231	Homo sapiens	TGI	=	3162.28	nM	PMID[23644211]
NPT383	Cell line	SNB-19	Homo sapiens	TGI	=	3388.44	nM	PMID[23644211]
NPT405	Cell line	NCI-H226	Homo sapiens	GI50	=	1698.24	nM	PMID[23644211]
NPT372	Cell line	HOP-92	Homo sapiens	GI50	=	1412.54	nM	PMID[23644211]
NPT401	Cell line	786-0	Homo sapiens	GI50	=	1819.7	nM	PMID[23644211]
NPT146	Cell line	SK-OV-3	Homo sapiens	GI50	=	1862.09	nM	PMID[23644211]
NPT456	Cell line	OVCAR-4	Homo sapiens	GI50	=	1778.28	nM	PMID[23644211]
NPT388	Cell line	NCI-H322M	Homo sapiens	GI50	=	1778.28	nM	PMID[23644211]
NPT381	Cell line	OVCAR-8	Homo sapiens	Activity	=	57.68	%	PMID[23644211]
NPT373	Cell line	SK-MEL-5	Homo sapiens	Activity	=	53.23	%	PMID[23644211]
NPT83	Cell line	MCF7	Homo sapiens	Activity	=	61.01	%	PMID[23644211]
NPT390	Cell line	LOX IMVI	Homo sapiens	Activity	=	42.74	%	PMID[23644211]
NPT308	Cell line	CAKI-1	Homo sapiens	TGI	=	9080.0	nM	PMID[23644211]
NPT395	Cell line	SF-268	Homo sapiens	TGI	=	4420.0	nM	PMID[23644211]
NPT393	Cell line	HCT-116	Homo sapiens	TGI	=	10100.0	nM	PMID[23644211]
NPT401	Cell line	786-0	Homo sapiens	Activity	=	101.0	%	PMID[23644211]
NPT90	Cell line	DU-145	Homo sapiens	Activity	=	-46.0	%	PMID[23644211]
NPT399	Cell line	SF-295	Homo sapiens	Activity	=	-57.0	%	PMID[23644211]
NPT148	Cell line	HCT-15	Homo sapiens	Activity	=	-64.0	%	PMID[23644211]
NPT376	Cell line	A498	Homo sapiens	Activity	=	-74.0	%	PMID[23644211]
NPT379	Cell line	HOP-62	Homo sapiens	Activity	=	99.0	%	PMID[23644211]
NPT368	Cell line	SN12C	Homo sapiens	Activity	=	92.0	%	PMID[23644211]
NPT371	Cell line	UO-31	Homo sapiens	GI50	=	1640.0	nM	PMID[23644211]
NPT83	Cell line	MCF7	Homo sapiens	GI50	=	3090.0	nM	PMID[23644211]
NPT308	Cell line	CAKI-1	Homo sapiens	GI50	=	2480.0	nM	PMID[23644211]
NPT456	Cell line	OVCAR-4	Homo sapiens	GI50	=	1770.0	nM	PMID[23644211]
NPT373	Cell line	SK-MEL-5	Homo sapiens	GI50	=	1800.0	nM	PMID[23644211]
NPT456	Cell line	OVCAR-4	Homo sapiens	TGI	=	3740.0	nM	PMID[23644211]
NPT389	Cell line	RPMI-8226	Homo sapiens	Activity	=	21.1	%	PMID[23644211]
NPT147	Cell line	SK-MEL-2	Homo sapiens	Activity	=	54.09	%	PMID[23644211]
NPT372	Cell line	HOP-92	Homo sapiens	TGI	=	2960.0	nM	PMID[23644211]
NPT405	Cell line	NCI-H226	Homo sapiens	Activity	=	42.07	%	PMID[23644211]
NPT368	Cell line	SN12C	Homo sapiens	TGI	=	3430.0	nM	PMID[23644211]
NPT387	Cell line	M14	Homo sapiens	TGI	=	3920.0	nM	PMID[23644211]
NPT374	Cell line	SF-539	Homo sapiens	TGI	=	11400.0	nM	PMID[23644211]
NPT371	Cell line	UO-31	Homo sapiens	Activity	=	-25.99	%	PMID[23644211]
NPT308	Cell line	CAKI-1	Homo sapiens	Activity	=	29.46	%	PMID[23644211]
NPT146	Cell line	SK-OV-3	Homo sapiens	Activity	=	41.84	%	PMID[23644211]
NPT455	Cell line	NCI-H522	Homo sapiens	TGI	=	5370.32	nM	PMID[23644211]
NPT81	Cell line	A549	Homo sapiens	TGI	=	2754.23	nM	PMID[23644211]
NPT148	Cell line	HCT-15	Homo sapiens	GI	=	78.81	%	PMID[23644211]
NPT372	Cell line	HOP-92	Homo sapiens	GI	n.a.	n.a.	n.a.	PMID[23644211]
NPT139	Cell line	HT-29	Homo sapiens	GI	=	44.25	%	PMID[23644211]
NPT390	Cell line	LOX IMVI	Homo sapiens	TGI	=	13000.0	nM	PMID[23644211]
NPT139	Cell line	HT-29	Homo sapiens	TGI	=	4350.0	nM	PMID[23644211]
NPT397	Cell line	NCI-H460	Homo sapiens	TGI	=	11700.0	nM	PMID[23644211]
NPT112	Cell line	MOLT-4	Homo sapiens	TGI	=	5140.0	nM	PMID[23644211]
NPT386	Cell line	KM12	Homo sapiens	GI	=	78.26	%	PMID[23644211]
NPT376	Cell line	A498	Homo sapiens	GI	n.a.	n.a.	n.a.	PMID[23644211]
NPT387	Cell line	M14	Homo sapiens	Activity	=	89.0	%	PMID[23644211]
NPT400	Cell line	MDA-MB-435	Homo sapiens	GI50	=	2210.0	nM	PMID[23644211]
NPT387	Cell line	M14	Homo sapiens	GI50	=	1810.0	nM	PMID[23644211]
NPT323	Cell line	SW-620	Homo sapiens	GI50	=	2310.0	nM	PMID[23644211]
NPT455	Cell line	NCI-H522	Homo sapiens	Activity	=	93.0	%	PMID[23644211]
NPT81	Cell line	A549	Homo sapiens	Activity	=	90.0	%	PMID[23644211]
NPT83	Cell line	MCF7	Homo sapiens	Activity	=	95.0	%	PMID[23644211]
NPT368	Cell line	SN12C	Homo sapiens	Activity	=	96.0	%	PMID[23644211]
NPT385	Cell line	SR	Homo sapiens	Activity	=	83.0	%	PMID[23644211]
NPT389	Cell line	RPMI-8226	Homo sapiens	Activity	=	96.0	%	PMID[23644211]
NPT381	Cell line	OVCAR-8	Homo sapiens	TGI	=	3890.45	nM	PMID[23644211]
NPT386	Cell line	KM12	Homo sapiens	TGI	=	2951.21	nM	PMID[23644211]
NPT393	Cell line	HCT-116	Homo sapiens	TGI	=	10232.93	nM	PMID[23644211]
NPT458	Cell line	IGROV-1	Homo sapiens	GI	=	64.87	%	PMID[23644211]
NPT397	Cell line	NCI-H460	Homo sapiens	GI	=	64.87	%	PMID[23644211]
NPT404	Cell line	CCRF-CEM	Homo sapiens	GI	=	54.21	%	PMID[23644211]
NPT396	Cell line	T47D	Homo sapiens	Activity	=	75.7	%	PMID[23644211]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	55.75	%	PMID[23644211]
NPT384	Cell line	TK-10	Homo sapiens	Activity	=	66.8	%	PMID[23644211]
NPT382	Cell line	OVCAR-5	Homo sapiens	Activity	=	63.95	%	PMID[23644211]
NPT371	Cell line	UO-31	Homo sapiens	GI	n.a.	n.a.	n.a.	PMID[23644211]
NPT399	Cell line	SF-295	Homo sapiens	GI	n.a.	n.a.	n.a.	PMID[23644211]
NPT457	Cell line	BT-549	Homo sapiens	GI50	=	1940.0	nM	PMID[23644211]
NPT406	Cell line	RXF 393	Homo sapiens	Activity	=	93.0	%	PMID[23644211]
NPT385	Cell line	SR	Homo sapiens	Activity	=	-13.0	%	PMID[23644211]
NPT381	Cell line	OVCAR-8	Homo sapiens	Activity	=	97.0	%	PMID[23644211]
NPT407	Cell line	COLO 205	Homo sapiens	Activity	=	104.0	%	PMID[23644211]
NPT376	Cell line	A498	Homo sapiens	Activity	=	79.0	%	PMID[23644211]
NPT374	Cell line	SF-539	Homo sapiens	Activity	=	100.0	%	PMID[23644211]
NPT379	Cell line	HOP-62	Homo sapiens	Activity	=	93.0	%	PMID[23644211]
NPT398	Cell line	UACC-62	Homo sapiens	TGI	=	3467.37	nM	PMID[23644211]
NPT395	Cell line	SF-268	Homo sapiens	TGI	=	4466.84	nM	PMID[23644211]
NPT112	Cell line	MOLT-4	Homo sapiens	Activity	=	103.0	%	PMID[23644211]
NPT372	Cell line	HOP-92	Homo sapiens	Activity	=	76.0	%	PMID[23644211]
NPT377	Cell line	OVCAR-3	Homo sapiens	Activity	=	104.0	%	PMID[23644211]
NPT384	Cell line	TK-10	Homo sapiens	Activity	=	108.0	%	PMID[23644211]
NPT403	Cell line	UACC-257	Homo sapiens	Activity	=	88.0	%	PMID[23644211]
NPT374	Cell line	SF-539	Homo sapiens	Activity	=	103.0	%	PMID[23644211]
NPT397	Cell line	NCI-H460	Homo sapiens	Activity	=	99.0	%	PMID[23644211]
NPT370	Cell line	NCI-H23	Homo sapiens	Activity	=	64.71	%	PMID[23644211]
NPT382	Cell line	OVCAR-5	Homo sapiens	Activity	=	113.0	%	PMID[23644211]
NPT458	Cell line	IGROV-1	Homo sapiens	Activity	=	111.0	%	PMID[23644211]
NPT457	Cell line	BT-549	Homo sapiens	TGI	=	4060.0	nM	PMID[23644211]
NPT403	Cell line	UACC-257	Homo sapiens	TGI	=	4897.79	nM	PMID[23644211]
NPT400	Cell line	MDA-MB-435	Homo sapiens	TGI	=	5888.44	nM	PMID[23644211]
NPT139	Cell line	HT-29	Homo sapiens	TGI	=	4365.16	nM	PMID[23644211]
NPT396	Cell line	T47D	Homo sapiens	Activity	=	101.0	%	PMID[23644211]
NPT148	Cell line	HCT-15	Homo sapiens	TGI	=	11500.0	nM	PMID[23644211]
NPT377	Cell line	OVCAR-3	Homo sapiens	Activity	=	31.99	%	PMID[23644211]
NPT784	Cell line	MDA-MB-468	Homo sapiens	Activity	=	66.09	%	PMID[23644211]
NPT457	Cell line	BT-549	Homo sapiens	Activity	=	26.09	%	PMID[23644211]
NPT405	Cell line	NCI-H226	Homo sapiens	GI	=	57.93	%	PMID[23644211]
NPT369	Cell line	ACHN	Homo sapiens	GI	=	91.88	%	PMID[23644211]
NPT375	Cell line	Malme-3M	Homo sapiens	Activity	=	35.23	%	PMID[23644211]
NPT393	Cell line	HCT-116	Homo sapiens	GI50	=	2450.0	nM	PMID[23644211]
NPT389	Cell line	RPMI-8226	Homo sapiens	TGI	=	8710.0	nM	PMID[23644211]
NPT383	Cell line	SNB-19	Homo sapiens	Activity	=	-40.0	%	PMID[23644211]
NPT374	Cell line	SF-539	Homo sapiens	Activity	=	-68.0	%	PMID[23644211]
NPT396	Cell line	T47D	Homo sapiens	GI50	=	11748.98	nM	PMID[23644211]
NPT457	Cell line	BT-549	Homo sapiens	GI50	=	1949.84	nM	PMID[23644211]
NPT148	Cell line	HCT-15	Homo sapiens	TGI	=	11481.54	nM	PMID[23644211]
NPT376	Cell line	A498	Homo sapiens	Activity	=	77.0	%	PMID[23644211]
NPT323	Cell line	SW-620	Homo sapiens	Activity	=	99.0	%	PMID[23644211]
NPT398	Cell line	UACC-62	Homo sapiens	GI50	=	1560.0	nM	PMID[23644211]
NPT386	Cell line	KM12	Homo sapiens	GI50	=	1350.0	nM	PMID[23644211]
NPT385	Cell line	SR	Homo sapiens	GI50	=	2137.96	nM	PMID[23644211]
NPT148	Cell line	HCT-15	Homo sapiens	Activity	=	82.0	%	PMID[23644211]
NPT369	Cell line	ACHN	Homo sapiens	Activity	=	101.0	%	PMID[23644211]
NPT455	Cell line	NCI-H522	Homo sapiens	Activity	=	100.0	%	PMID[23644211]
NPT82	Cell line	MDA-MB-231	Homo sapiens	GI	=	77.76	%	PMID[23644211]
NPT384	Cell line	TK-10	Homo sapiens	GI	=	33.2	%	PMID[23644211]
NPT456	Cell line	OVCAR-4	Homo sapiens	GI	=	36.77	%	PMID[23644211]
NPT370	Cell line	NCI-H23	Homo sapiens	Activity	=	98.0	%	PMID[23644211]
NPT372	Cell line	HOP-92	Homo sapiens	Activity	=	73.0	%	PMID[23644211]
NPT323	Cell line	SW-620	Homo sapiens	Activity	=	95.0	%	PMID[23644211]
NPT116	Cell line	HL-60	Homo sapiens	Activity	=	15.8	%	DOI[10.1007/s00044-012-0354-x]
NPT112	Cell line	MOLT-4	Homo sapiens	Activity	=	-36.0	%	PMID[23644211]
NPT111	Cell line	K562	Homo sapiens	Activity	=	-2.0	%	PMID[23644211]
NPT376	Cell line	A498	Homo sapiens	Activity	=	78.0	%	PMID[23644211]
NPT400	Cell line	MDA-MB-435	Homo sapiens	Activity	=	90.0	%	PMID[23644211]
NPT380	Cell line	U-251	Homo sapiens	Activity	=	83.0	%	PMID[23644211]
NPT374	Cell line	SF-539	Homo sapiens	Activity	=	101.0	%	PMID[23644211]
NPT395	Cell line	SF-268	Homo sapiens	Activity	=	104.0	%	PMID[23644211]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	105.0	%	PMID[23644211]
NPT389	Cell line	RPMI-8226	Homo sapiens	Activity	=	70.0	%	PMID[23644211]
NPT404	Cell line	CCRF-CEM	Homo sapiens	Activity	=	90.0	%	PMID[23644211]
NPT82	Cell line	MDA-MB-231	Homo sapiens	Activity	=	95.0	%	PMID[23644211]
NPT146	Cell line	SK-OV-3	Homo sapiens	Activity	=	102.0	%	PMID[23644211]
NPT398	Cell line	UACC-62	Homo sapiens	Activity	=	96.0	%	PMID[23644211]
NPT147	Cell line	SK-MEL-2	Homo sapiens	Activity	=	107.0	%	PMID[23644211]
NPT370	Cell line	NCI-H23	Homo sapiens	Activity	=	101.0	%	PMID[23644211]
NPT111	Cell line	K562	Homo sapiens	Activity	=	107.0	%	PMID[23644211]
NPT457	Cell line	BT-549	Homo sapiens	TGI	=	4073.8	nM	PMID[23644211]
NPT406	Cell line	RXF 393	Homo sapiens	TGI	=	3801.89	nM	PMID[23644211]
NPT390	Cell line	LOX IMVI	Homo sapiens	GI	=	57.26	%	PMID[23644211]
NPT148	Cell line	HCT-15	Homo sapiens	GI50	=	2580.0	nM	PMID[23644211]
NPT372	Cell line	HOP-92	Homo sapiens	GI50	=	1410.0	nM	PMID[23644211]
NPT112	Cell line	MOLT-4	Homo sapiens	GI50	=	2050.0	nM	PMID[23644211]
NPT386	Cell line	KM12	Homo sapiens	Activity	=	21.74	%	PMID[23644211]
NPT397	Cell line	NCI-H460	Homo sapiens	Activity	=	101.0	%	PMID[23644211]
NPT406	Cell line	RXF 393	Homo sapiens	Activity	=	-76.0	%	PMID[23644211]
NPT308	Cell line	CAKI-1	Homo sapiens	Activity	=	-65.0	%	PMID[23644211]
NPT81	Cell line	A549	Homo sapiens	Activity	=	-59.0	%	PMID[23644211]
NPT406	Cell line	RXF 393	Homo sapiens	Activity	=	95.0	%	PMID[23644211]
NPT400	Cell line	MDA-MB-435	Homo sapiens	GI	=	35.09	%	PMID[23644211]
NPT387	Cell line	M14	Homo sapiens	GI	=	71.32	%	PMID[23644211]
NPT374	Cell line	SF-539	Homo sapiens	GI	=	57.01	%	PMID[23644211]
NPT455	Cell line	NCI-H522	Homo sapiens	GI	=	50.27	%	PMID[23644211]
NPT370	Cell line	NCI-H23	Homo sapiens	GI	=	35.29	%	PMID[23644211]
NPT389	Cell line	RPMI-8226	Homo sapiens	GI	=	78.9	%	PMID[23644211]
NPT112	Cell line	MOLT-4	Homo sapiens	GI	=	58.56	%	PMID[23644211]
NPT377	Cell line	OVCAR-3	Homo sapiens	TGI	=	3610.0	nM	PMID[23644211]
NPT373	Cell line	SK-MEL-5	Homo sapiens	TGI	=	4390.0	nM	PMID[23644211]
NPT372	Cell line	HOP-92	Homo sapiens	Activity	=	-73.0	%	PMID[23644211]
NPT397	Cell line	NCI-H460	Homo sapiens	GI50	=	2840.0	nM	PMID[23644211]
NPT379	Cell line	HOP-62	Homo sapiens	GI	=	75.67	%	PMID[23644211]
NPT90	Cell line	DU-145	Homo sapiens	GI50	=	2137.96	nM	PMID[23644211]
NPT392	Cell line	SNB-75	Homo sapiens	GI50	=	1770.0	nM	PMID[23644211]
NPT374	Cell line	SF-539	Homo sapiens	Activity	=	42.99	%	PMID[23644211]
NPT381	Cell line	OVCAR-8	Homo sapiens	TGI	=	3870.0	nM	PMID[23644211]
NPT458	Cell line	IGROV-1	Homo sapiens	TGI	=	4630.0	nM	PMID[23644211]
NPT784	Cell line	MDA-MB-468	Homo sapiens	TGI	=	3640.0	nM	PMID[23644211]
NPT380	Cell line	U-251	Homo sapiens	TGI	=	3240.0	nM	PMID[23644211]
NPT111	Cell line	K562	Homo sapiens	TGI	=	30400.0	nM	PMID[23644211]
NPT147	Cell line	SK-MEL-2	Homo sapiens	Activity	=	109.0	%	PMID[23644211]
NPT380	Cell line	U-251	Homo sapiens	Activity	=	96.0	%	PMID[23644211]
NPT390	Cell line	LOX IMVI	Homo sapiens	GI50	=	3388.44	nM	PMID[23644211]
NPT90	Cell line	DU-145	Homo sapiens	TGI	=	4073.8	nM	PMID[23644211]
NPT404	Cell line	CCRF-CEM	Homo sapiens	TGI	=	6456.54	nM	PMID[23644211]
NPT385	Cell line	SR	Homo sapiens	GI	=	38.09	%	PMID[23644211]
NPT374	Cell line	SF-539	Homo sapiens	GI50	=	3370.0	nM	PMID[23644211]
NPT399	Cell line	SF-295	Homo sapiens	GI50	=	1620.0	nM	PMID[23644211]
NPT116	Cell line	HL-60	Homo sapiens	Activity	=	1.2	%	DOI[10.1007/s00044-012-0354-x]
NPT116	Cell line	HL-60	Homo sapiens	Activity	=	8.4	%	DOI[10.1007/s00044-012-0354-x]
NPT393	Cell line	HCT-116	Homo sapiens	GI50	=	2454.71	nM	PMID[23644211]
NPT308	Cell line	CAKI-1	Homo sapiens	Activity	=	85.0	%	PMID[23644211]
NPT139	Cell line	HT-29	Homo sapiens	Activity	=	108.0	%	PMID[23644211]
NPT400	Cell line	MDA-MB-435	Homo sapiens	Activity	=	98.0	%	PMID[23644211]
NPT388	Cell line	NCI-H322M	Homo sapiens	Activity	=	-71.0	%	PMID[23644211]
NPT404	Cell line	CCRF-CEM	Homo sapiens	Activity	=	-2.0	%	PMID[23644211]
NPT111	Cell line	K562	Homo sapiens	Activity	=	85.0	%	PMID[23644211]
NPT396	Cell line	T47D	Homo sapiens	Activity	=	104.0	%	PMID[23644211]
NPT116	Cell line	HL-60	Homo sapiens	Activity	=	63.6	%	DOI[10.1007/s00044-012-0354-x]
NPT83	Cell line	MCF7	Homo sapiens	IC50	=	6000.0	nM	DOI[10.1007/s00044-012-0354-x]
NPT116	Cell line	HL-60	Homo sapiens	Activity	=	15.4	%	DOI[10.1007/s00044-012-0354-x]
NPT368	Cell line	SN12C	Homo sapiens	GI	=	94.23	%	PMID[23644211]
NPT146	Cell line	SK-OV-3	Homo sapiens	GI	=	58.16	%	PMID[23644211]
NPT306	Cell line	PC-3	Homo sapiens	Activity	=	33.28	%	PMID[23644211]
NPT383	Cell line	SNB-19	Homo sapiens	GI	n.a.	n.a.	n.a.	PMID[23644211]
NPT147	Cell line	SK-MEL-2	Homo sapiens	GI50	=	2187.76	nM	PMID[23644211]
NPT381	Cell line	OVCAR-8	Homo sapiens	GI	=	42.32	%	PMID[23644211]
NPT382	Cell line	OVCAR-5	Homo sapiens	GI	=	36.05	%	PMID[23644211]
NPT377	Cell line	OVCAR-3	Homo sapiens	GI	=	68.01	%	PMID[23644211]
NPT399	Cell line	SF-295	Homo sapiens	Activity	=	-14.37	%	PMID[23644211]
NPT784	Cell line	MDA-MB-468	Homo sapiens	Activity	=	93.0	%	PMID[23644211]
NPT369	Cell line	ACHN	Homo sapiens	Activity	=	105.0	%	PMID[23644211]
NPT403	Cell line	UACC-257	Homo sapiens	GI	=	39.42	%	PMID[23644211]
NPT147	Cell line	SK-MEL-2	Homo sapiens	GI	=	45.91	%	PMID[23644211]
NPT392	Cell line	SNB-75	Homo sapiens	GI	=	88.05	%	PMID[23644211]
NPT395	Cell line	SF-268	Homo sapiens	GI	=	74.06	%	PMID[23644211]
NPT111	Cell line	K562	Homo sapiens	GI	=	64.14	%	PMID[23644211]
NPT82	Cell line	MDA-MB-231	Homo sapiens	Activity	=	22.24	%	PMID[23644211]
NPT170	Cell line	SK-MEL-28	Homo sapiens	Activity	=	33.67	%	PMID[23644211]
NPT395	Cell line	SF-268	Homo sapiens	Activity	=	25.94	%	PMID[23644211]
NPT111	Cell line	K562	Homo sapiens	GI50	=	2630.27	nM	PMID[23644211]
NPT369	Cell line	ACHN	Homo sapiens	TGI	=	4060.0	nM	PMID[23644211]
NPT399	Cell line	SF-295	Homo sapiens	Activity	=	90.0	%	PMID[23644211]
NPT373	Cell line	SK-MEL-5	Homo sapiens	Activity	=	-63.0	%	PMID[23644211]
NPT392	Cell line	SNB-75	Homo sapiens	Activity	=	-47.0	%	PMID[23644211]
NPT403	Cell line	UACC-257	Homo sapiens	Activity	=	-69.0	%	PMID[23644211]
NPT384	Cell line	TK-10	Homo sapiens	TGI	=	4677.35	nM	PMID[23644211]
NPT370	Cell line	NCI-H23	Homo sapiens	GI50	=	2398.83	nM	PMID[23644211]
NPT81	Cell line	A549	Homo sapiens	GI50	=	1202.26	nM	PMID[23644211]
NPT404	Cell line	CCRF-CEM	Homo sapiens	GI50	=	2290.87	nM	PMID[23644211]
NPT306	Cell line	PC-3	Homo sapiens	GI50	=	1340.0	nM	PMID[23644211]
NPT406	Cell line	RXF 393	Homo sapiens	GI50	=	1770.0	nM	PMID[23644211]
NPT146	Cell line	SK-OV-3	Homo sapiens	GI50	=	1870.0	nM	PMID[23644211]
NPT381	Cell line	OVCAR-8	Homo sapiens	GI50	=	1920.0	nM	PMID[23644211]
NPT380	Cell line	U-251	Homo sapiens	GI50	=	1590.0	nM	PMID[23644211]
NPT383	Cell line	SNB-19	Homo sapiens	GI50	=	1650.0	nM	PMID[23644211]
NPT396	Cell line	T47D	Homo sapiens	TGI	=	40738.03	nM	PMID[23644211]
NPT170	Cell line	SK-MEL-28	Homo sapiens	TGI	=	4265.8	nM	PMID[23644211]
NPT323	Cell line	SW-620	Homo sapiens	TGI	=	6606.93	nM	PMID[23644211]
NPT377	Cell line	OVCAR-3	Homo sapiens	TGI	=	3630.78	nM	PMID[23644211]
NPT390	Cell line	LOX IMVI	Homo sapiens	TGI	=	12882.5	nM	PMID[23644211]
NPT389	Cell line	RPMI-8226	Homo sapiens	GI50	=	1850.0	nM	PMID[23644211]
NPT382	Cell line	OVCAR-5	Homo sapiens	TGI	=	8912.51	nM	PMID[23644211]
NPT784	Cell line	MDA-MB-468	Homo sapiens	Activity	=	-86.0	%	PMID[23644211]
NPT82	Cell line	MDA-MB-231	Homo sapiens	Activity	=	-63.0	%	PMID[23644211]
NPT368	Cell line	SN12C	Homo sapiens	Activity	=	-51.0	%	PMID[23644211]
NPT382	Cell line	OVCAR-5	Homo sapiens	Activity	=	-73.0	%	PMID[23644211]
NPT404	Cell line	CCRF-CEM	Homo sapiens	Activity	=	98.0	%	PMID[23644211]
NPT379	Cell line	HOP-62	Homo sapiens	Activity	=	95.0	%	PMID[23644211]
NPT373	Cell line	SK-MEL-5	Homo sapiens	TGI	=	4365.16	nM	PMID[23644211]
NPT111	Cell line	K562	Homo sapiens	Activity	=	105.0	%	PMID[23644211]
NPT381	Cell line	OVCAR-8	Homo sapiens	Activity	=	98.0	%	PMID[23644211]
NPT456	Cell line	OVCAR-4	Homo sapiens	Activity	=	97.0	%	PMID[23644211]
NPT458	Cell line	IGROV-1	Homo sapiens	Activity	=	109.0	%	PMID[23644211]
NPT405	Cell line	NCI-H226	Homo sapiens	Activity	=	83.0	%	PMID[23644211]
NPT373	Cell line	SK-MEL-5	Homo sapiens	Activity	=	92.0	%	PMID[23644211]
NPT388	Cell line	NCI-H322M	Homo sapiens	Activity	=	98.0	%	PMID[23644211]
NPT116	Cell line	HL-60	Homo sapiens	Activity	=	64.2	%	DOI[10.1007/s00044-012-0354-x]
NPT28438	Unchecked	Unchecked	n.a.	IC50	=	980.0	nM	PMID[24457265]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	2187.76	nM	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	TGI	=	5011.87	nM	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	91.0	%	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	69.84	%	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	1880.0	nM	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	92.0	%	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	-30.0	%	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	2137.96	nM	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	2170.0	nM	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	TGI	=	5000.0	nM	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	96.0	%	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	TGI	=	5248.07	nM	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	99.0	%	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	TGI	=	5210.0	nM	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	-38.0	%	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	26.38	%	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI	=	63.5	%	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI	=	30.16	%	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	36.5	%	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI	n.a.	n.a.	n.a.	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	94.0	%	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	105.0	%	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	TGI	=	3467.37	nM	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	101.0	%	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	-17.18	%	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI	=	73.62	%	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	104.0	%	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	1862.09	nM	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	GI50	=	2130.0	nM	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	102.0	%	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	TGI	=	3470.0	nM	PMID[23644211]
NPT20529	Non-molecular	NON-PROTEIN TARGET	n.a.	Activity	=	-58.0	%	PMID[23644211]
NPT23303	Cell line	HL-60(TB)	Homo sapiens	GI50	=	2187.76	nM	PMID[23644211]
NPT23303	Cell line	HL-60(TB)	Homo sapiens	Activity	=	106.0	%	PMID[23644211]
NPT23303	Cell line	HL-60(TB)	Homo sapiens	Activity	=	-36.0	%	PMID[23644211]
NPT23303	Cell line	HL-60(TB)	Homo sapiens	GI50	=	2190.0	nM	PMID[23644211]
NPT23303	Cell line	HL-60(TB)	Homo sapiens	Activity	=	99.0	%	PMID[23644211]
NPT23303	Cell line	HL-60(TB)	Homo sapiens	TGI	=	4897.79	nM	PMID[23644211]
NPT23303	Cell line	HL-60(TB)	Homo sapiens	Activity	=	-50.75	%	PMID[23644211]
NPT23303	Cell line	HL-60(TB)	Homo sapiens	TGI	=	4900.0	nM	PMID[23644211]
NPT23303	Cell line	HL-60(TB)	Homo sapiens	Activity	=	110.0	%	PMID[23644211]
NPT23303	Cell line	HL-60(TB)	Homo sapiens	GI	n.a.	n.a.	n.a.	PMID[23644211]
NPT30043	Cell line	Vero	Chlorocebus sabaeus	IC50	>	50000.0	nM	DOI[10.1007/s00044-012-0354-x]

In vivo activity

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference

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 NPC603645 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	18922
0.1-0.2	25110
0.2-0.3	4731
0.3-0.4	770
0.4-0.5	243
0.5-0.6	57
0.6-0.7	15
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.7662	Intermediate Similarity	NPC476889
0.7037	Intermediate Similarity	NPC473483
0.6712	Remote Similarity	NPC480946
0.6712	Remote Similarity	NPC130577
0.6712	Remote Similarity	NPC142415
0.6712	Remote Similarity	NPC102683
0.6386	Remote Similarity	NPC476890
0.6375	Remote Similarity	NPC600880
0.622	Remote Similarity	NPC93744
0.622	Remote Similarity	NPC476888
0.6184	Remote Similarity	NPC182797
0.6184	Remote Similarity	NPC52169
0.6184	Remote Similarity	NPC488562
0.6184	Remote Similarity	NPC606443
0.6026	Remote Similarity	NPC228784
0.6026	Remote Similarity	NPC324341
0.6026	Remote Similarity	NPC601810
0.5952	Remote Similarity	NPC40918
0.593	Remote Similarity	NPC473576
0.5862	Remote Similarity	NPC475570
0.5844	Remote Similarity	NPC187722
0.5823	Remote Similarity	NPC298554
0.5802	Remote Similarity	NPC488521
0.5769	Remote Similarity	NPC270768
0.5769	Remote Similarity	NPC59263
0.5769	Remote Similarity	NPC210106
0.5769	Remote Similarity	NPC51700
0.5769	Remote Similarity	NPC88716
0.5769	Remote Similarity	NPC68160
0.573	Remote Similarity	NPC268954
0.573	Remote Similarity	NPC44170
0.5641	Remote Similarity	NPC198664
0.5625	Remote Similarity	NPC202728
0.5625	Remote Similarity	NPC158059
0.5625	Remote Similarity	NPC293564
0.557	Remote Similarity	NPC171203
0.557	Remote Similarity	NPC307426
0.557	Remote Similarity	NPC98442
0.557	Remote Similarity	NPC242468
0.557	Remote Similarity	NPC112866
0.5529	Remote Similarity	NPC23241
0.5513	Remote Similarity	NPC477872
0.5476	Remote Similarity	NPC474727
0.5476	Remote Similarity	NPC273668
0.5476	Remote Similarity	NPC283343
0.5432	Remote Similarity	NPC29765
0.5375	Remote Similarity	NPC7260
0.5375	Remote Similarity	NPC210037
0.5375	Remote Similarity	NPC120968
0.5375	Remote Similarity	NPC121798
0.5375	Remote Similarity	NPC234346
0.5375	Remote Similarity	NPC227467
0.5375	Remote Similarity	NPC273621
0.5368	Remote Similarity	NPC488215
0.5349	Remote Similarity	NPC480921
0.5349	Remote Similarity	NPC480920
0.5244	Remote Similarity	NPC120840
0.5238	Remote Similarity	NPC222047
0.5233	Remote Similarity	NPC473160
0.5185	Remote Similarity	NPC275809
0.5185	Remote Similarity	NPC64872
0.5185	Remote Similarity	NPC84319
0.5185	Remote Similarity	NPC25906
0.5185	Remote Similarity	NPC52021
0.5185	Remote Similarity	NPC599947
0.5122	Remote Similarity	NPC158141
0.5119	Remote Similarity	NPC130520
0.5116	Remote Similarity	NPC88349
0.5062	Remote Similarity	NPC274330
0.5062	Remote Similarity	NPC610937
0.506	Remote Similarity	NPC49776
0.506	Remote Similarity	NPC63118
0.506	Remote Similarity	NPC474436
0.5059	Remote Similarity	NPC296164

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC603645 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.5 or Top200).

range	Tanimoto Coefficient
0-0.1	5975
0.1-0.2	3111
0.2-0.3	55
0.3-0.4	6
0.4-0.5	3
0.5-0.6	0
0.6-0.7	0
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
		NPD

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