NPASS Compound

Structure

NPC114816 OpenBabel06302215142D 28 30 0 0 0 0 0 0 0 0999 V2000 -0.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 10 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 11 16 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 23 28 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 M END $$$$

Physi-Chem Properties

Molecular Weight:	654.22
Volume:	612.762
LogP:	0.376
LogD:	-0.154
LogS:	-2.277
# Rotatable Bonds:	12
TPSA:	254.52
# H-Bond Aceptor:	16
# H-Bond Donor:	9
# Rings:	4
# Heavy Atoms:	16

MedChem Properties

QED Drug-Likeness Score:	0.081
Synthetic Accessibility Score:	4.963
Fsp3:	0.5
Lipinski Rule-of-5:	Rejected
Pfizer Rule:	Accepted
GSK Rule:	Rejected
BMS Rule:	0
Golden Triangle Rule:	Rejected
Chelating Alert:	1
PAINS Alert:	1

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

Caco-2 Permeability:	-6.598
MDCK Permeability:	3.367883982718922e-05
Pgp-inhibitor:	0.006
Pgp-substrate:	0.999
Human Intestinal Absorption (HIA):	0.956
20% Bioavailability (F20%):	0.797
30% Bioavailability (F30%):	1.0

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB):	0.098
Plasma Protein Binding (PPB):	91.58843231201172%
Volume Distribution (VD):	0.32
Pgp-substrate:	13.76136589050293%

ADMET: Metabolism

CYP1A2-inhibitor:	0.039
CYP1A2-substrate:	0.022
CYP2C19-inhibitor:	0.026
CYP2C19-substrate:	0.053
CYP2C9-inhibitor:	0.055
CYP2C9-substrate:	0.096
CYP2D6-inhibitor:	0.014
CYP2D6-substrate:	0.153
CYP3A4-inhibitor:	0.071
CYP3A4-substrate:	0.026

ADMET: Excretion

Clearance (CL):	1.621
Half-life (T1/2):	0.739

ADMET: Toxicity

hERG Blockers:	0.297
Human Hepatotoxicity (H-HT):	0.585
Drug-inuced Liver Injury (DILI):	0.768
AMES Toxicity:	0.792
Rat Oral Acute Toxicity:	0.099
Maximum Recommended Daily Dose:	0.023
Skin Sensitization:	0.97
Carcinogencity:	0.047
Eye Corrosion:	0.003
Eye Irritation:	0.03
Respiratory Toxicity:	0.059

Download Data

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

Natural Product: NPC114816

Natural Product ID:	NPC114816
*Common Name:**	NKANXQFJJICGDU-QPLCGJKRSA-N
IUPAC Name:	n.a.
Synonyms:
Standard InCHIKey:	NKANXQFJJICGDU-QPLCGJKRSA-N
Standard InCHI:	InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
SMILES:	CC/C(=C(c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1
Synthetic Gene Cluster:	n.a.
ChEMBL Identifier:	n.a.
PubChem CID:	2733526
Chemical Classification:**	CHEMONTID:0000000 [Organic compounds] [CHEMONTID:0000261] Phenylpropanoids and polyketides [CHEMONTID:0000253] Stilbenes

*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO40374	Terminalia citrina	Species	Combretaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27110635]
NPO40450	Aspergillus sclerotiorum PSU-RSPG178	Strain	Aspergillaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[27228159]
NPO40119	Eremophila longifolia	Species	Scrophulariaceae	Eukaryota	n.a.	n.a.	n.a.	PMID[28257200]

☑ Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

NP Quantity Composition/Concentration

Organism ID	NP ID	Organism Material Preparation	Organism Part	NP Quantity (Standard)	NP Quantity (Minimum)	NP Quantity (Maximum)	Quantity Unit	Reference

☑ Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].

Biological Activity

Activity Type	# Activity
EC50	18
ED50	13
GI50	60
IC50	320
Kd	1
Ki	13
LD50	1
MIC	11
Others	328

Activity Type	# Activity
Cell Line	431
CELL-LINE	4
Individual Protein	139
NON-MOLECULAR	31
Organism	41
Others	75
Protein Complex	3
Protein Family	47
SINGLE PROTEIN	1
Subcellular	1
Uncleic Acid	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	70.0	nM	PMID[14971899]
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	IC50	=	2000.0	nM	PMID[14971899]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	80.0	nM	PMID[14971899]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	IC50	=	50.0	nM	PMID[14971899]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	481.0	nM	PMID[9154963]
NPT2738	Cell Line	Ishikawa	Homo sapiens	EC50	=	33.0	nM	PMID[8201587]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	11000.0	nM	PMID[12565971]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	19000.0	nM	PMID[12565971]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	500.0	nM	PMID[12431063]
NPT83	Cell Line	MCF7	Homo sapiens	EC50	=	0.11	nM	PMID[2769681]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	219.0	nM	PMID[2769681]
NPT83	Cell Line	MCF7	Homo sapiens	Inhibition	=	90.0	%	PMID[2769681]
NPT83	Cell Line	MCF7	Homo sapiens	IC30	=	6.5	uM	PMID[2769681]
NPT83	Cell Line	MCF7	Homo sapiens	Inhibition	=	49.0	%	PMID[2769681]
NPT2326	Cell Line	BT-20	Homo sapiens	IC30	=	5.7	uM	PMID[2769681]
NPT2326	Cell Line	BT-20	Homo sapiens	Inhibition	=	56.0	%	PMID[2769681]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	8000.0	nM	PMID[9089332]
NPT4590	Cell Line	EL4	Mus musculus	IC50	=	535.0	nM	PMID[1573630]
NPT3027	Cell Line	MCF7S	Homo sapiens	IC50	=	7200.0	nM	PMID[1573630]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	19000.0	nM	PMID[8784443]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	140.0	nM	PMID[8784443]
NPT2488	Cell Line	MDA-MB-453	Homo sapiens	IC50	>	5000.0	nM	PMID[8784443]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	150.0	nM	PMID[9357519]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	8.4	nM	PMID[11965371]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	17000.0	nM	DOI[10.1016/0960-894X(95)00381-3]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	28000.0	nM	DOI[10.1016/0960-894X(95)00381-3]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	11280.0	nM	PMID[11297454]
NPT83	Cell Line	MCF7	Homo sapiens	Inhibition	=	52.0	%	PMID[8201601]
NPT3027	Cell Line	MCF7S	Homo sapiens	Inhibition	=	49.0	%	PMID[1738150]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	11225.0	n.a.	PMID[6809943]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	82.0	%	PMID[6809943]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	119.0	%	PMID[2585441]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	100.0	%	PMID[2585441]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	70.0	%	PMID[2585441]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	2000.0	n.a.	PMID[3950918]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	80.0	n.a.	PMID[3950918]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	4800.0	n.a.	PMID[3950918]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	1850.0	n.a.	PMID[3950918]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	622.0	nM	PMID[12825935]
NPT248	Individual Protein	Estrogen receptor beta	Homo sapiens	IC50	>	1000.0	nM	PMID[12825935]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	580.0	nM	PMID[12825935]
NPT83	Cell Line	MCF7	Homo sapiens	EC50	=	10.0	nM	PMID[12825935]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	42.0	nM	PMID[10447957]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	14000.0	nM	PMID[7830266]
NPT4110	Individual Protein	3-beta-hydroxysteroid-delta(8),delta(7)-isomerase	Homo sapiens	Ki	=	5.0	nM	PMID[16033255]
NPT296	Individual Protein	Sigma opioid receptor	Homo sapiens	Ki	=	35.0	nM	PMID[16033255]
NPT4111	Individual Protein	C-8 sterol isomerase	Saccharomyces cerevisiae S288c	Ki	=	1500.0	nM	PMID[16033255]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	622.0	nM	PMID[15658851]
NPT248	Individual Protein	Estrogen receptor beta	Homo sapiens	IC50	>	1000.0	nM	PMID[15658851]
NPT299	Individual Protein	Androgen Receptor	Rattus norvegicus	IC50	=	12022.64	nM	PMID[16134935]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	72.0	%	PMID[16275069]
NPT83	Cell Line	MCF7	Homo sapiens	ED50	=	5.0	ug ml-1	PMID[16942038]
NPT133	Cell Line	ZR-75-1	Homo sapiens	ED50	=	3.6	ug ml-1	PMID[16942038]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	ED50	=	8.5	ug ml-1	PMID[16942038]
NPT402	Cell Line	Hs-578T	Homo sapiens	ED50	=	7.0	ug ml-1	PMID[16942038]
NPT134	Cell Line	SK-BR-3	Homo sapiens	ED50	=	5.0	ug ml-1	PMID[16942038]
NPT762	Cell Line	A-431	Homo sapiens	ED50	=	7.0	ug ml-1	PMID[16942038]
NPT323	Cell Line	SW-620	Homo sapiens	ED50	=	4.0	ug ml-1	PMID[16942038]
NPT91	Cell Line	KB	Homo sapiens	ED50	=	9.0	ug ml-1	PMID[16942038]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	5090.0	nM	PMID[16979337]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	Activity	=	8.0	%	PMID[15588086]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	Activity	=	6.0	%	PMID[15588086]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	Activity	=	47.0	%	PMID[15588086]
NPT116	Cell Line	HL-60	Homo sapiens	Activity	=	100.0	%	PMID[17904372]
NPT116	Cell Line	HL-60	Homo sapiens	Activity	=	96.17	%	PMID[17904372]
NPT116	Cell Line	HL-60	Homo sapiens	Activity	=	53.54	%	PMID[17904372]
NPT116	Cell Line	HL-60	Homo sapiens	Activity	=	15.91	%	PMID[17904372]
NPT116	Cell Line	HL-60	Homo sapiens	Activity	=	5.445	%	PMID[17904372]
NPT116	Cell Line	HL-60	Homo sapiens	IC50	=	5.9	ug.mL-1	PMID[17904372]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	4.6	uM	PMID[17918820]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	Activity	=	20.0	%	PMID[17337183]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	0.43	n.a.	PMID[17337183]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	Activity	=	0.65	n.a.	PMID[17337183]
NPT2891	Cell Line	H4	Homo sapiens	Activity	=	77.66	%	PMID[18024584]
NPT2891	Cell Line	H4	Homo sapiens	Activity	=	71.55	%	PMID[18024584]
NPT2891	Cell Line	H4	Homo sapiens	Activity	=	85.37	%	PMID[18024584]
NPT2891	Cell Line	H4	Homo sapiens	Activity	=	91.2	%	PMID[18024584]
NPT2891	Cell Line	H4	Homo sapiens	Activity	=	376.53	%	PMID[18024584]
NPT2891	Cell Line	H4	Homo sapiens	Activity	=	585.87	%	PMID[18024584]
NPT2891	Cell Line	H4	Homo sapiens	Activity	=	291.52	%	PMID[18024584]
NPT2891	Cell Line	H4	Homo sapiens	Activity	=	70.67	%	PMID[18024584]
NPT2891	Cell Line	H4	Homo sapiens	Activity	=	101.24	%	PMID[18024584]
NPT2891	Cell Line	H4	Homo sapiens	Activity	=	105.85	%	PMID[18024584]
NPT2891	Cell Line	H4	Homo sapiens	Activity	=	114.97	%	PMID[18024584]
NPT139	Cell Line	HT-29	Homo sapiens	IC50	=	1.86	ug.mL-1	PMID[11720540]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	1.86	ug.mL-1	PMID[11720540]
NPT170	Cell Line	SK-MEL-28	Homo sapiens	IC50	=	1.86	ug.mL-1	PMID[11720540]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	10000.0	nM	PMID[19423356]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	20000.0	nM	PMID[19423356]
NPT2738	Cell Line	Ishikawa	Homo sapiens	IC50	=	420.0	nM	PMID[9784163]
NPT612	Individual Protein	Canalicular multispecific organic anion transporter 1	Homo sapiens	Activity	=	8.0	%	PMID[18457386]
NPT613	Individual Protein	Solute carrier family 22 member 1	Homo sapiens	Inhibition	=	72.1	%	PMID[18788725]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	4120.0	nM	PMID[18835176]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	70.0	nM	PMID[18835176]
NPT248	Individual Protein	Estrogen receptor beta	Homo sapiens	IC50	=	170.0	nM	PMID[18835176]
NPT2738	Cell Line	Ishikawa	Homo sapiens	IC50	=	170.0	nM	PMID[18835176]
NPT2738	Cell Line	Ishikawa	Homo sapiens	Activity	=	16.5	%	PMID[18835176]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	100.0	nM	PMID[19131248]
NPT396	Cell Line	T47D	Homo sapiens	IC50	=	1000.0	nM	PMID[19131248]
NPT839	Cell Line	L6	Rattus norvegicus	IC50	=	4.9	ug.mL-1	PMID[19168363]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	580.0	nM	PMID[18272256]
NPT83	Cell Line	MCF7	Homo sapiens	ED50	=	5.0	ug ml-1	PMID[19425534]
NPT134	Cell Line	SK-BR-3	Homo sapiens	ED50	=	5.0	ug ml-1	PMID[19425534]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	12000.0	nM	PMID[19446930]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	24000.0	nM	PMID[19446930]
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50	=	4480.0	nM	PMID[19733085]
NPT146	Cell Line	SK-OV-3	Homo sapiens	GI50	=	6400.0	nM	PMID[19733085]
NPT90	Cell Line	DU-145	Homo sapiens	GI50	=	6070.0	nM	PMID[19733085]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	9860.0	nM	PMID[19740667]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	7650.0	nM	PMID[19740667]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	0.1	uM	PMID[19943620]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	0.2	uM	PMID[19943620]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	0.4	uM	PMID[19943620]
NPT396	Cell Line	T47D	Homo sapiens	Activity	=	0.1	uM	PMID[19943620]
NPT396	Cell Line	T47D	Homo sapiens	Activity	=	0.7	uM	PMID[19943620]
NPT396	Cell Line	T47D	Homo sapiens	Activity	=	9.0	uM	PMID[19943620]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	11400.0	nM	PMID[19836230]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	11100.0	nM	PMID[19836230]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	10900.0	nM	PMID[19836230]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	12400.0	nM	PMID[19836230]
NPT248	Individual Protein	Estrogen receptor beta	Homo sapiens	IC50	=	1660.0	nM	PMID[20553023]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	2540.0	nM	PMID[20553023]
NPT83	Cell Line	MCF7	Homo sapiens	Inhibition	=	93.33	%	PMID[20553023]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	660.0	nM	PMID[20451380]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	1000.0	nM	PMID[20451380]
NPT65	Cell Line	HepG2	Homo sapiens	IC50	=	23400.0	nM	PMID[20545334]
NPT139	Cell Line	HT-29	Homo sapiens	IC50	=	38600.0	nM	PMID[20545334]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	8900.0	nM	PMID[20605470]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	10000.0	nM	PMID[20605470]
NPT165	Cell Line	HeLa	Homo sapiens	IC50	=	12500.0	nM	PMID[20605470]
NPT71	Cell Line	HEK293	Homo sapiens	IC50	=	10000.0	nM	PMID[20605470]
NPT6054	Individual Protein	Transcriptional activator protein luxR	Aliivibrio fischeri	IC50	=	40000.0	nM	PMID[20615699]
NPT6054	Individual Protein	Transcriptional activator protein luxR	Aliivibrio fischeri	Inhibition	=	73.6	%	PMID[20615699]
NPT6054	Individual Protein	Transcriptional activator protein luxR	Aliivibrio fischeri	Inhibition	=	53.0	%	PMID[20615699]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	Ki	=	31.19	nM	PMID[20621492]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	178.12	mm3	PMID[20669983]
NPT306	Cell Line	PC-3	Homo sapiens	FC	=	1.041	n.a.	PMID[16680159]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	11800.0	nM	PMID[20951035]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI	=	58.6	%	PMID[21035921]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI	=	67.7	%	PMID[21035921]
NPT83	Cell Line	MCF7	Homo sapiens	GI	=	65.7	%	PMID[21035921]
NPT83	Cell Line	MCF7	Homo sapiens	GI	=	25.0	%	PMID[21035921]
NPT396	Cell Line	T47D	Homo sapiens	GI	=	67.8	%	PMID[21035921]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	8.31	ug.mL-1	PMID[21115211]
NPT627	Individual Protein	Cytochrome P450 2B6	Homo sapiens	Ki	=	900.0	nM	PMID[16248836]
NPT109	Individual Protein	Cytochrome P450 3A4	Homo sapiens	Ki	=	200.0	nM	PMID[16248836]
NPT2743	Cell Line	MCF-12A	Homo sapiens	GI50	=	5754.4	nM	PMID[21513275]
NPT2743	Cell Line	MCF-12A	Homo sapiens	GI50	=	6918.31	nM	PMID[21513275]
NPT83	Cell Line	MCF7	Homo sapiens	GI50	=	2290.87	nM	PMID[21513275]
NPT83	Cell Line	MCF7	Homo sapiens	GI50	=	2951.21	nM	PMID[21513275]
NPT83	Cell Line	MCF7	Homo sapiens	GI50	=	5623.41	nM	PMID[21513275]
NPT306	Cell Line	PC-3	Homo sapiens	GI50	=	10964.78	nM	PMID[21513275]
NPT90	Cell Line	DU-145	Homo sapiens	GI50	=	13803.84	nM	PMID[21513275]
NPT858	Cell Line	LNCaP	Homo sapiens	GI50	=	10000.0	nM	PMID[21513275]
NPT604	Individual Protein	Serum albumin	Homo sapiens	Activity	=	0.0	%	PMID[20869876]
NPT604	Individual Protein	Serum albumin	Homo sapiens	Activity	=	16.3	%	PMID[20869876]
NPT604	Individual Protein	Serum albumin	Homo sapiens	Activity	=	62.2	%	PMID[20869876]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	12480.0	nM	PMID[21871812]
NPT2738	Cell Line	Ishikawa	Homo sapiens	IC50	=	22500.0	nM	PMID[21871812]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	18900.0	nM	PMID[21871812]
NPT71	Cell Line	HEK293	Homo sapiens	IC50	=	10000.0	nM	PMID[21871812]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	31000.0	nM	PMID[21680064]
NPT589	Individual Protein	Serum albumin	Bos taurus	Activity	=	98.0	%	PMID[21777996]
NPT589	Individual Protein	Serum albumin	Bos taurus	Activity	=	41.0	%	PMID[21777996]
NPT589	Individual Protein	Serum albumin	Bos taurus	Activity	=	3.0	%	PMID[21777996]
NPT589	Individual Protein	Serum albumin	Bos taurus	Activity	=	26.0	%	PMID[21777996]
NPT589	Individual Protein	Serum albumin	Bos taurus	Activity	=	20.0	%	PMID[21777996]
NPT589	Individual Protein	Serum albumin	Bos taurus	Activity	=	10.0	%	PMID[21777996]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	27.0	nM	PMID[22472045]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	7100.0	nM	PMID[22749392]
NPT579	Cell Line	DLD-1	Homo sapiens	IC50	=	4780.0	nM	PMID[22749392]
NPT179	Cell Line	A2780	Homo sapiens	IC50	=	7770.0	nM	PMID[22749392]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	9660.0	nM	PMID[22749392]
NPT886	Cell Line	NIH3T3	Mus musculus	IC50	=	7260.0	nM	PMID[22749392]
NPT248	Individual Protein	Estrogen receptor beta	Homo sapiens	Ki	=	0.51	nM	PMID[22582136]
NPT83	Cell Line	MCF7	Homo sapiens	GI	=	18.0	%	PMID[23864928]
NPT83	Cell Line	MCF7	Homo sapiens	GI	=	52.0	%	PMID[23864928]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	794.0	nM	PMID[23864928]
NPT396	Cell Line	T47D	Homo sapiens	IC50	=	1130.0	nM	PMID[23864928]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	Survival	>	95.0	%	PMID[23864928]
NPT110	Individual Protein	Cytochrome P450 2D6	Homo sapiens	Ratio IC50	=	2.0	n.a.	PMID[22931300]
NPT213	Individual Protein	Cytochrome P450 2C19	Homo sapiens	Ratio IC50	<	2.0	n.a.	PMID[22931300]
NPT248	Individual Protein	Estrogen receptor beta	Homo sapiens	IC50	=	1660.0	nM	PMID[22647217]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	2540.0	nM	PMID[22647217]
NPT83	Cell Line	MCF7	Homo sapiens	Inhibition	=	93.3	%	PMID[22647217]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	19540.0	nM	PMID[22647217]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	8600.0	nM	PMID[22901895]
NPT116	Cell Line	HL-60	Homo sapiens	IC50	=	14300.0	nM	PMID[22901895]
NPT294	Individual Protein	Serotonin 6 (5-HT6) receptor	Homo sapiens	Ki	=	1041.0	nM	PMID[22537153]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	12410.0	nM	PMID[23022281]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	11440.0	nM	PMID[23022281]
NPT622	Individual Protein	Solute carrier organic anion transporter family member 2B1	Homo sapiens	Inhibition	=	11.0	%	PMID[22541068]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	1820.0	nM	PMID[23123017]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	25100.0	nM	DOI[10.1007/s00044-012-0391-5]
NPT396	Cell Line	T47D	Homo sapiens	IC50	=	12100.0	nM	DOI[10.1007/s00044-012-0391-5]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	55500.0	nM	DOI[10.1007/s00044-012-0391-5]
NPT396	Cell Line	T47D	Homo sapiens	IC50	=	13000.0	nM	PMID[23287057]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	12000.0	nM	PMID[23287057]
NPT886	Cell Line	NIH3T3	Mus musculus	IC50	=	11400.0	nM	PMID[23287057]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	11400.0	nM	PMID[23287057]
NPT306	Cell Line	PC-3	Homo sapiens	IC50	=	10000.0	nM	PMID[23287057]
NPT65	Cell Line	HepG2	Homo sapiens	IC50	=	6300.0	nM	PMID[23287057]
NPT90	Cell Line	DU-145	Homo sapiens	IC50	=	5500.0	nM	PMID[23287057]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	5500.0	nM	PMID[23287057]
NPT6513	Individual Protein	Emopamil-binding protein-like	Homo sapiens	Ki	=	2.8	nM	PMID[23199475]
NPT2736	Individual Protein	Estrogen-related receptor alpha	Homo sapiens	IC50	=	200.0	nM	PMID[23448346]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI50	=	18800.0	nM	PMID[23403084]
NPT83	Cell Line	MCF7	Homo sapiens	GI50	=	11200.0	nM	PMID[23403084]
NPT2815	Cell Line	M21	Homo sapiens	GI50	=	11000.0	nM	PMID[23403084]
NPT139	Cell Line	HT-29	Homo sapiens	GI50	=	9500.0	nM	PMID[23403084]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	EC50	=	2540.0	nM	PMID[23608764]
NPT248	Individual Protein	Estrogen receptor beta	Homo sapiens	EC50	=	1660.0	nM	PMID[23608764]
NPT492	Cell Line	Caco-2	Homo sapiens	LD50	=	343.0	uM	PMID[23750455]
NPT2138	Cell Line	MSTO-211H	Homo sapiens	GI50	=	23300.0	nM	PMID[23735829]
NPT165	Cell Line	HeLa	Homo sapiens	GI50	=	32600.0	nM	PMID[23735829]
NPT83	Cell Line	MCF7	Homo sapiens	GI50	=	12000.0	nM	PMID[23735829]
NPT90	Cell Line	DU-145	Homo sapiens	IC50	=	28900.0	nM	PMID[23786452]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	17000.0	nM	PMID[23786452]
NPT189	Cell Line	Vero	Chlorocebus aethiops	IC50	=	15900.0	nM	PMID[23786452]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	15600.0	nM	PMID[23786452]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	39.0	nM	PMID[23786452]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	5190.0	nM	PMID[23806014]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	12350.0	nM	PMID[23830503]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	13450.0	nM	PMID[23902804]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	64850.0	nM	PMID[23860592]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	27960.0	nM	PMID[23860592]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	15200.0	nM	PMID[23880359]
NPT1187	Individual Protein	Proteasome Macropain subunit MB1	Homo sapiens	Activity	=	145.0	%	PMID[24321833]
NPT1186	Individual Protein	Proteasome Macropain subunit	Homo sapiens	Activity	=	112.0	%	PMID[24321833]
NPT1185	Individual Protein	Proteasome component C5	Homo sapiens	Activity	=	85.0	%	PMID[24321833]
NPT15	Cell Line	Jurkat	Homo sapiens	IC50	=	8300.0	nM	PMID[23792352]
NPT71	Cell Line	HEK293	Homo sapiens	IC50	=	26000.0	nM	PMID[24457094]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	10000.0	nM	PMID[24457094]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	9000.0	nM	PMID[24457094]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	10.0	ug.mL-1	DOI[10.1039/C2MD20089A]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	Inhibition	=	100.0	%	PMID[24721727]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	1890.0	nM	PMID[24721727]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	6000.0	nM	PMID[24880230]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	14000.0	nM	PMID[24880230]
NPT306	Cell Line	PC-3	Homo sapiens	IC50	=	7000.0	nM	PMID[24880230]
NPT71	Cell Line	HEK293	Homo sapiens	IC50	=	50000.0	nM	PMID[24880230]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	8.0	ug.mL-1	PMID[24576797]
NPT83	Cell Line	MCF7	Homo sapiens	Inhibition	=	98.0	%	PMID[24576797]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	75000.0	nM	PMID[25164760]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	84600.0	nM	PMID[25164760]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	82500.0	nM	PMID[25164760]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	64300.0	nM	PMID[25164760]
NPT248	Individual Protein	Estrogen receptor beta	Homo sapiens	IC50	=	190.0	nM	PMID[25369367]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	60.9	nM	PMID[25369367]
NPT248	Individual Protein	Estrogen receptor beta	Homo sapiens	IC50	=	188.0	nM	PMID[25369367]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	13.0	%	PMID[25369367]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	61.0	nM	PMID[25369367]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	4100.0	nM	PMID[25369367]
NPT1161	Cell Line	CHO	Cricetulus griseus	IC50	>	100000.0	nM	PMID[25222876]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	38970.0	nM	PMID[25222876]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	4670.0	nM	PMID[25222876]
NPT111	Cell Line	K562	Homo sapiens	GI50	=	5200.0	nM	PMID[25420175]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	2100.0	nM	PMID[25614118]
NPT109	Individual Protein	Cytochrome P450 3A4	Homo sapiens	Ratio	=	0.02	/uM/min	PMID[21068193]
NPT110	Individual Protein	Cytochrome P450 2D6	Homo sapiens	IC50	=	13700.0	nM	PMID[22328583]
NPT109	Individual Protein	Cytochrome P450 3A4	Homo sapiens	IC50	>	30000.0	nM	PMID[22328583]
NPT213	Individual Protein	Cytochrome P450 2C19	Homo sapiens	IC50	>	30000.0	nM	PMID[22328583]
NPT212	Individual Protein	Cytochrome P450 2C9	Homo sapiens	IC50	>	30000.0	nM	PMID[22328583]
NPT208	Individual Protein	Cytochrome P450 1A2	Homo sapiens	IC50	>	30000.0	nM	PMID[22328583]
NPT628	Individual Protein	Cytochrome P450 2C8	Homo sapiens	IC50	=	14300.0	nM	PMID[22328583]
NPT1463	Individual Protein	Cytochrome P450 2J2	Homo sapiens	Activity	=	11.5	%	PMID[22328583]
NPT1463	Individual Protein	Cytochrome P450 2J2	Homo sapiens	Activity	=	9.1	%	PMID[22328583]
NPT208	Individual Protein	Cytochrome P450 1A2	Homo sapiens	Inhibition	<	10.0	%	PMID[21467212]
NPT627	Individual Protein	Cytochrome P450 2B6	Homo sapiens	Inhibition	<	10.0	%	PMID[21467212]
NPT212	Individual Protein	Cytochrome P450 2C9	Homo sapiens	Inhibition	<	10.0	%	PMID[21467212]
NPT611	Cell Line	Hepatocyte	Homo sapiens	EC50	=	67600.0	nM	PMID[22531045]
NPT611	Cell Line	Hepatocyte	Homo sapiens	EC50	=	34400.0	nM	PMID[22531045]
NPT611	Cell Line	Hepatocyte	Homo sapiens	EC50	=	71400.0	nM	PMID[22531045]
NPT213	Individual Protein	Cytochrome P450 2C19	Homo sapiens	Inhibition	<	10.0	%	PMID[21467212]
NPT110	Individual Protein	Cytochrome P450 2D6	Homo sapiens	Inhibition	<	10.0	%	PMID[21467212]
NPT628	Individual Protein	Cytochrome P450 2C8	Homo sapiens	Inhibition	<	10.0	%	PMID[21467212]
NPT109	Individual Protein	Cytochrome P450 3A4	Homo sapiens	Inhibition	<	10.0	%	PMID[21467212]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	18710.0	nM	PMID[25734623]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	3800.0	nM	PMID[26079090]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	8400.0	nM	PMID[26079090]
NPT189	Cell Line	Vero	Chlorocebus aethiops	IC50	=	5700.0	nM	PMID[26079090]
NPT90	Cell Line	DU-145	Homo sapiens	GI50	=	19300.0	nM	PMID[26163220]
NPT83	Cell Line	MCF7	Homo sapiens	GI50	=	8000.0	nM	PMID[26163220]
NPT81	Cell Line	A549	Homo sapiens	GI50	=	24400.0	nM	PMID[26163220]
NPT65	Cell Line	HepG2	Homo sapiens	GI50	=	21700.0	nM	PMID[26163220]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	57.54	nM	PMID[26407012]
NPT542	Individual Protein	Progesterone receptor	Homo sapiens	IC50	=	128.82	nM	PMID[26407012]
NPT542	Individual Protein	Progesterone receptor	Homo sapiens	IC50	>	100000.0	nM	PMID[26407012]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	10000.0	nM	PMID[26407012]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	24.55	nM	PMID[26407012]
NPT784	Cell Line	MDA-MB-468	Homo sapiens	IC50	=	14990.0	nM	DOI[10.1039/C4MD00289J]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	12500.0	nM	DOI[10.1039/C4MD00289J]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	27000.0	nM	DOI[10.1039/C4MD00289J]
NPT396	Cell Line	T47D	Homo sapiens	IC50	=	29900.0	nM	DOI[10.1039/C4MD00289J]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	FC	=	3.0	n.a.	DOI[10.1039/C4MD00289J]
NPT83	Cell Line	MCF7	Homo sapiens	FC	=	2.0	n.a.	DOI[10.1039/C4MD00289J]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	FC	=	1.8	n.a.	DOI[10.1039/C4MD00289J]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	4400.0	nM	PMID[26896706]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	8.0	nM	PMID[26896706]
NPT248	Individual Protein	Estrogen receptor beta	Homo sapiens	IC50	=	180.0	nM	PMID[26896706]
NPT394	Cell Line	EKVX	Homo sapiens	GI50	=	6300.0	nM	PMID[26896706]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	GI50	=	3160.0	nM	PMID[26896706]
NPT83	Cell Line	MCF7	Homo sapiens	GI50	=	1580.0	nM	PMID[26896706]
NPT396	Cell Line	T47D	Homo sapiens	GI50	=	1990.0	nM	PMID[26896706]
NPT784	Cell Line	MDA-MB-468	Homo sapiens	GI50	=	2500.0	nM	PMID[26896706]
NPT171	Cell Line	MRC5	Homo sapiens	IC50	=	10900.0	nM	PMID[26922226]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	50000.0	nM	PMID[26972118]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	>	50000.0	nM	PMID[26972118]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	4100.0	nM	PMID[27407030]
NPT165	Cell Line	HeLa	Homo sapiens	GI50	=	12000.0	nM	PMID[27128175]
NPT83	Cell Line	MCF7	Homo sapiens	GI50	=	6500.0	nM	PMID[27128175]
NPT179	Cell Line	A2780	Homo sapiens	GI50	=	30300.0	nM	PMID[27128175]
NPT165	Cell Line	HeLa	Homo sapiens	Activity	=	28.0	%	PMID[27128175]
NPT165	Cell Line	HeLa	Homo sapiens	Activity	=	29.9	%	PMID[27128175]
NPT165	Cell Line	HeLa	Homo sapiens	Activity	=	39.4	%	PMID[27128175]
NPT165	Cell Line	HeLa	Homo sapiens	Activity	=	2.7	%	PMID[27128175]
NPT165	Cell Line	HeLa	Homo sapiens	Activity	=	26.2	%	PMID[27128175]
NPT165	Cell Line	HeLa	Homo sapiens	Activity	=	3.9	%	PMID[27128175]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	1000.0	nM	PMID[27176944]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	5300.0	nM	PMID[27176944]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	13900.0	nM	PMID[27176944]
NPT2738	Cell Line	Ishikawa	Homo sapiens	IC50	=	6000.0	nM	PMID[27176944]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	Inhibition	=	70.0	%	PMID[27176944]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	19330.0	nM	PMID[27311894]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	13700.0	nM	PMID[27155469]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	17900.0	nM	PMID[27155469]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	222.0	nM	PMID[27647375]
NPT83	Cell Line	MCF7	Homo sapiens	GI50	=	6800.0	nM	PMID[28152429]
NPT396	Cell Line	T47D	Homo sapiens	GI50	=	10600.0	nM	PMID[28152429]
NPT134	Cell Line	SK-BR-3	Homo sapiens	GI50	=	12500.0	nM	PMID[28152429]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI50	=	15100.0	nM	PMID[28152429]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	1605.0	nM	PMID[28296398]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	Activity	=	90.0	%	PMID[28296398]
NPT83	Cell Line	MCF7	Homo sapiens	TGI	=	86.0	%	PMID[28296398]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	<	20.0	%	PMID[29045135]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	1605.0	nM	PMID[29562737]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	Activity	=	90.0	%	PMID[29562737]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	11350.0	nM	PMID[28460819]
NPT2738	Cell Line	Ishikawa	Homo sapiens	IC50	=	16470.0	nM	PMID[28460819]
NPT612	Individual Protein	Canalicular multispecific organic anion transporter 1	Homo sapiens	IC50	>	133000.0	nM	PMID[23956101]
NPT1249	Individual Protein	Canalicular multispecific organic anion transporter 2	Homo sapiens	IC50	>	133000.0	nM	PMID[23956101]
NPT1028	Individual Protein	Multidrug resistance-associated protein 4	Homo sapiens	IC50	>	133000.0	nM	PMID[23956101]
NPT165	Cell Line	HeLa	Homo sapiens	IC50	=	8850.0	nM	PMID[28838694]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	226.0	nM	PMID[28882502]
NPT248	Individual Protein	Estrogen receptor beta	Homo sapiens	IC50	=	79.7	nM	PMID[28882502]
NPT3033	Individual Protein	Estrogen-related receptor gamma	Homo sapiens	IC50	=	62.2	nM	PMID[28882502]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	341.0	nM	PMID[28882502]
NPT248	Individual Protein	Estrogen receptor beta	Homo sapiens	IC50	=	1530.0	nM	PMID[28882502]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	97.6	%	PMID[28927795]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	7940.0	nM	PMID[28927795]
NPT2738	Cell Line	Ishikawa	Homo sapiens	Activity	=	60.08	%	PMID[28810190]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	Inhibition	>	50.0	%	PMID[28810190]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	Inhibition	=	80.0	%	PMID[28810190]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	Inhibition	=	94.79	%	PMID[28942113]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	2670.0	nM	PMID[28942113]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	14350.0	nM	PMID[28942113]
NPT2738	Cell Line	Ishikawa	Homo sapiens	IC50	=	20650.0	nM	PMID[28942113]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	21570.0	nM	PMID[28505536]
NPT83	Cell Line	MCF7	Homo sapiens	Inhibition	=	98.0	%	PMID[28505536]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	5300.0	nM	PMID[29220789]
NPT2257	Cell Line	MCF-10A	Homo sapiens	GI	<	50.0	%	PMID[29220789]
NPT71	Cell Line	HEK293	Homo sapiens	CC50	=	62000.0	nM	PMID[28257200]
NPT65	Cell Line	HepG2	Homo sapiens	CC50	=	62000.0	nM	PMID[28257200]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	7.85	ug.mL-1	PMID[28442256]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	3.99	ug.mL-1	PMID[28442256]
NPT2738	Cell Line	Ishikawa	Homo sapiens	IC50	=	7.87	ug.mL-1	PMID[28442256]
NPT83	Cell Line	MCF7	Homo sapiens	Ratio	=	3.51	n.a.	PMID[29054359]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	1.95	%	PMID[29054359]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	4.96	%	PMID[29054359]
NPT71	Cell Line	HEK293	Homo sapiens	IC50	=	20930.0	nM	PMID[29054359]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	8120.0	nM	PMID[29054359]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	9960.0	nM	PMID[29054359]
NPT171	Cell Line	MRC5	Homo sapiens	IC50	=	10000.0	nM	PMID[29672041]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	10.0	ug ml-1	PMID[29198894]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	48.0	%	PMID[30053783]
NPT83	Cell Line	MCF7	Homo sapiens	TGI	=	33.0	%	PMID[30053783]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	13.4	%	PMID[28426931]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	4100.0	nM	PMID[28426931]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	70.0	nM	PMID[28426931]
NPT248	Individual Protein	Estrogen receptor beta	Homo sapiens	IC50	=	170.0	nM	PMID[28426931]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	4400.0	nM	PMID[28426931]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	60.9	nM	PMID[28426931]
NPT248	Individual Protein	Estrogen receptor beta	Homo sapiens	IC50	=	188.0	nM	PMID[28426931]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	19500.0	nM	PMID[29482944]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	1420.0	nM	PMID[29587221]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	Inhibition	=	92.36	%	PMID[29587221]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	15460.0	nM	PMID[29587221]
NPT2738	Cell Line	Ishikawa	Homo sapiens	IC50	=	26520.0	nM	PMID[29587221]
NPT579	Cell Line	DLD-1	Homo sapiens	IC50	=	16300.0	nM	PMID[29605808]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	8610.0	nM	PMID[29605808]
NPT762	Cell Line	A-431	Homo sapiens	IC50	>	100000.0	nM	PMID[29605808]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	17300.0	nM	PMID[29605808]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	100.0	nM	PMID[29207335]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	2700.0	nM	PMID[29207335]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	222.0	nM	PMID[29207335]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	47100.0	nM	PMID[30360952]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	7090.0	nM	PMID[30360952]
NPT71	Cell Line	HEK293	Homo sapiens	CC50	=	39400.0	nM	PMID[30322754]
NPT65	Cell Line	HepG2	Homo sapiens	CC50	=	24700.0	nM	PMID[30322754]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	31.2	%	PMID[28797675]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	25000.0	nM	PMID[31610378]
NPT171	Cell Line	MRC5	Homo sapiens	CC50	=	11090.0	nM	PMID[30857749]
NPT171	Cell Line	MRC5	Homo sapiens	IC50	=	11090.0	nM	PMID[30879839]
NPT71	Cell Line	HEK293	Homo sapiens	CC50	=	13.0	ug.mL-1	PMID[30316060]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	Inhibition	=	87.4	%	PMID[30384047]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	1560.0	nM	PMID[30384047]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	16700.0	nM	PMID[30384047]
NPT2738	Cell Line	Ishikawa	Homo sapiens	Activity	>	50.0	uM	PMID[30384047]
NPT65	Cell Line	HepG2	Homo sapiens	IC50	=	12000.0	nM	PMID[30613327]
NPT71	Cell Line	HEK293	Homo sapiens	IC50	=	24000.0	nM	PMID[30975502]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	10870.0	nM	PMID[31546197]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	11200.0	nM	PMID[31546197]
NPT71	Cell Line	HEK293	Homo sapiens	IC50	>	50000.0	nM	PMID[31546197]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	10870.0	nM	PMID[31546197]
NPT165	Cell Line	HeLa	Homo sapiens	IC50	=	10870.0	nM	PMID[31546197]
NPT90	Cell Line	DU-145	Homo sapiens	IC50	=	10870.0	nM	PMID[31546197]
NPT2245	Cell Line	SiHa	Homo sapiens	GI50	=	120.0	nM	PMID[31605865]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI50	=	120.0	nM	PMID[31605865]
NPT461	Cell Line	PANC-1	Homo sapiens	GI50	=	120.0	nM	PMID[31605865]
NPT1383	Cell Line	A2058	Homo sapiens	Activity	=	1.8	%	PMID[31099568]
NPT2502	Cell Line	MEL-JUSO	Homo sapiens	Activity	=	1.0	%	PMID[31099568]
NPT1383	Cell Line	A2058	Homo sapiens	EC50	=	12500.0	nM	PMID[31099568]
NPT2502	Cell Line	MEL-JUSO	Homo sapiens	EC50	=	14600.0	nM	PMID[31099568]
NPT1182	Cell Line	J774.A1	Mus musculus	CC50	=	11060.0	nM	PMID[31376569]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	4000.0	nM	PMID[31129455]
NPT2245	Cell Line	SiHa	Homo sapiens	GI50	=	120.0	nM	PMID[31200236]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI50	=	240.0	nM	PMID[31200236]
NPT461	Cell Line	PANC-1	Homo sapiens	GI50	=	150.0	nM	PMID[31200236]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	22600.0	nM	PMID[31620225]
NPT3722	Cell Line	4T1	Mus musculus	TGI	=	55.0	%	PMID[31620225]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	25000.0	nM	PMID[31673312]
NPT113	Cell Line	RAW264.7	Mus musculus	CC50	=	11100.0	nM	PMID[31703818]
NPT71	Cell Line	HEK293	Homo sapiens	CC50	=	13.1	ug.mL-1	PMID[30831407]
NPT71	Cell Line	HEK293	Homo sapiens	CC50	=	13.1	ug.mL-1	PMID[30901686]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	1.5	nM	PMID[30731397]
NPT396	Cell Line	T47D	Homo sapiens	IC50	=	34420.0	nM	PMID[30731397]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	42400.0	nM	PMID[30731397]
NPT65	Cell Line	HepG2	Homo sapiens	CC90	=	75.0	uM	PMID[30779564]
NPT171	Cell Line	MRC5	Homo sapiens	IC50	=	11090.0	nM	PMID[30692024]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	0.1	uM	PMID[27110635]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	0.3	uM	PMID[27110635]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	4.5	uM	PMID[27110635]
NPT396	Cell Line	T47D	Homo sapiens	Activity	=	0.1	uM	PMID[27110635]
NPT396	Cell Line	T47D	Homo sapiens	Activity	=	0.9	uM	PMID[27110635]
NPT396	Cell Line	T47D	Homo sapiens	Activity	=	7.0	uM	PMID[27110635]
NPT109	Individual Protein	Cytochrome P450 3A4	Homo sapiens	FC	=	0.8	n.a.	PMID[27397500]
NPT110	Individual Protein	Cytochrome P450 2D6	Homo sapiens	FC	=	0.8	n.a.	PMID[27397500]
NPT212	Individual Protein	Cytochrome P450 2C9	Homo sapiens	FC	=	0.7	n.a.	PMID[27397500]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	Inhibition	=	100.0	%	PMID[31757667]
NPT61	Individual Protein	Beta-glucocerebrosidase	Homo sapiens	EC50	=	2500.0	nM	PMID[31757667]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	25000.0	nM	PMID[32386856]
NPT65	Cell Line	HepG2	Homo sapiens	IC50	=	23400.0	nM	PMID[32386856]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	4120.0	nM	PMID[31987694]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	13.4	%	PMID[31987694]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	70.0	nM	PMID[31987694]
NPT248	Individual Protein	Estrogen receptor beta	Homo sapiens	IC50	=	170.0	nM	PMID[31987694]
NPT248	Individual Protein	Estrogen receptor beta	Homo sapiens	IC50	=	188.0	nM	PMID[31987694]
NPT108	Individual Protein	Estrogen receptor alpha	Homo sapiens	IC50	=	60.9	nM	PMID[31987694]
NPT83	Cell Line	MCF7	Homo sapiens	GI	>	80.0	%	PMID[32067892]
NPT2257	Cell Line	MCF-10A	Homo sapiens	IC50	>	50000.0	nM	PMID[33340662]
NPT134	Cell Line	SK-BR-3	Homo sapiens	IC50	=	28320.0	nM	PMID[33340662]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	35800.0	nM	PMID[33340662]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	15210.0	nM	PMID[33340662]
NPT65	Cell Line	HepG2	Homo sapiens	EC50	=	35000.0	nM	PMID[27652492]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	11550.0	nM	PMID[31884407]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	>	20000.0	nM	PMID[31884407]
NPT393	Cell Line	HCT-116	Homo sapiens	IC50	=	45000.0	nM	PMID[31884407]
NPT81	Cell Line	A549	Homo sapiens	IC50	=	10080.0	nM	PMID[31884407]
NPT1970	Cell Line	THP-1	Homo sapiens	IC50	=	11910.0	nM	PMID[31884407]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	70.5	%	PMID[31884407]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	42.2	%	PMID[31884407]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	5.69	%	PMID[31884407]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	29.5	%	PMID[31884407]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	57.8	%	PMID[31884407]
NPT83	Cell Line	MCF7	Homo sapiens	Activity	=	94.31	%	PMID[31884407]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	1.31	ug.mL-1	PMID[31884407]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	9600.0	nM	PMID[33373820]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	7000.0	nM	PMID[33373820]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	6300.0	nM	PMID[33373820]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	5900.0	nM	PMID[33373820]
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	20.0	nM	PMID[33479633]
NPT306	Cell Line	PC-3	Homo sapiens	IC50	>	1000.0	nM	PMID[33479633]
NPT3722	Cell Line	4T1	Mus musculus	TGI	=	36.0	%	PMID[31865016]
NPT385	Cell Line	SR	Homo sapiens	GI	=	-18.9	%	PMID[32898794]
NPT404	Cell Line	CCRF-CEM	Homo sapiens	GI	=	65.4	%	PMID[32898794]
NPT112	Cell Line	MOLT-4	Homo sapiens	GI	=	66.7	%	PMID[32898794]
NPT389	Cell Line	RPMI-8226	Homo sapiens	GI	=	-28.3	%	PMID[32898794]
NPT81	Cell Line	A549	Homo sapiens	GI	=	50.2	%	PMID[32898794]
NPT394	Cell Line	EKVX	Homo sapiens	GI	=	40.0	%	PMID[32898794]
NPT379	Cell Line	HOP-62	Homo sapiens	GI	=	56.9	%	PMID[32898794]
NPT405	Cell Line	NCI-H226	Homo sapiens	GI	=	7.5	%	PMID[32898794]
NPT370	Cell Line	NCI-H23	Homo sapiens	GI	=	39.7	%	PMID[32898794]
NPT388	Cell Line	NCI-H322M	Homo sapiens	GI	=	34.0	%	PMID[32898794]
NPT397	Cell Line	NCI-H460	Homo sapiens	GI	=	97.6	%	PMID[32898794]
NPT455	Cell Line	NCI-H522	Homo sapiens	GI	=	53.4	%	PMID[32898794]
NPT407	Cell Line	COLO 205	Homo sapiens	GI	=	-89.0	%	PMID[32898794]
NPT391	Cell Line	HCC 2998	Homo sapiens	GI	=	83.7	%	PMID[32898794]
NPT393	Cell Line	HCT-116	Homo sapiens	GI	=	73.8	%	PMID[32898794]
NPT148	Cell Line	HCT-15	Homo sapiens	GI	=	92.4	%	PMID[32898794]
NPT139	Cell Line	HT-29	Homo sapiens	GI	=	-11.2	%	PMID[32898794]
NPT386	Cell Line	KM12	Homo sapiens	GI	=	75.0	%	PMID[32898794]
NPT323	Cell Line	SW-620	Homo sapiens	GI	=	95.1	%	PMID[32898794]
NPT399	Cell Line	SF-295	Homo sapiens	GI	=	59.8	%	PMID[32898794]
NPT383	Cell Line	SNB-19	Homo sapiens	GI	=	47.4	%	PMID[32898794]
NPT392	Cell Line	SNB-75	Homo sapiens	GI	=	60.1	%	PMID[32898794]
NPT380	Cell Line	U-251	Homo sapiens	GI	=	95.2	%	PMID[32898794]
NPT390	Cell Line	LOX IMVI	Homo sapiens	GI	=	-43.9	%	PMID[32898794]
NPT375	Cell Line	Malme-3M	Homo sapiens	GI	=	-67.5	%	PMID[32898794]
NPT387	Cell Line	M14	Homo sapiens	GI	=	-75.0	%	PMID[32898794]
NPT400	Cell Line	MDA-MB-435	Homo sapiens	GI	=	62.2	%	PMID[32898794]
NPT147	Cell Line	SK-MEL-2	Homo sapiens	GI	=	31.5	%	PMID[32898794]
NPT170	Cell Line	SK-MEL-28	Homo sapiens	GI	=	88.7	%	PMID[32898794]
NPT373	Cell Line	SK-MEL-5	Homo sapiens	GI	=	-95.2	%	PMID[32898794]
NPT403	Cell Line	UACC-257	Homo sapiens	GI	=	-64.3	%	PMID[32898794]
NPT458	Cell Line	IGROV-1	Homo sapiens	GI	=	58.8	%	PMID[32898794]
NPT377	Cell Line	OVCAR-3	Homo sapiens	GI	=	47.1	%	PMID[32898794]
NPT456	Cell Line	OVCAR-4	Homo sapiens	GI	=	53.7	%	PMID[32898794]
NPT378	Cell Line	NCI/ADR-RES	Homo sapiens	GI	=	56.8	%	PMID[32898794]
NPT146	Cell Line	SK-OV-3	Homo sapiens	GI	=	33.2	%	PMID[32898794]
NPT401	Cell Line	786-0	Homo sapiens	GI	=	-41.0	%	PMID[32898794]
NPT376	Cell Line	A498	Homo sapiens	GI	=	35.9	%	PMID[32898794]
NPT369	Cell Line	ACHN	Homo sapiens	GI	=	39.4	%	PMID[32898794]
NPT308	Cell Line	CAKI-1	Homo sapiens	GI	=	70.9	%	PMID[32898794]
NPT368	Cell Line	SN12C	Homo sapiens	GI	=	52.3	%	PMID[32898794]
NPT384	Cell Line	TK-10	Homo sapiens	GI	=	48.1	%	PMID[32898794]
NPT371	Cell Line	UO-31	Homo sapiens	GI	=	59.7	%	PMID[32898794]
NPT306	Cell Line	PC-3	Homo sapiens	GI	=	65.6	%	PMID[32898794]
NPT90	Cell Line	DU-145	Homo sapiens	GI	=	34.6	%	PMID[32898794]
NPT83	Cell Line	MCF7	Homo sapiens	GI	=	-10.3	%	PMID[32898794]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	GI	=	54.8	%	PMID[32898794]
NPT402	Cell Line	Hs-578T	Homo sapiens	GI	=	39.5	%	PMID[32898794]
NPT457	Cell Line	BT-549	Homo sapiens	GI	=	30.2	%	PMID[32898794]
NPT784	Cell Line	MDA-MB-468	Homo sapiens	GI	=	-13.3	%	PMID[32898794]
NPT381	Cell Line	OVCAR-8	Homo sapiens	GI	=	39.5	%	PMID[32898794]
NPT4720	Cell Line	Leukemia cells	Homo sapiens	GI50	=	2080.0	nM	PMID[32898794]
NPT4720	Cell Line	Leukemia cells	Homo sapiens	TGI	=	6420.0	nM	PMID[32898794]
NPT4720	Cell Line	Leukemia cells	Homo sapiens	LC50	=	2900.0	nM	PMID[32898794]
NPT395	Cell Line	SF-268	Homo sapiens	GI	=	43.3	%	PMID[32898794]
NPT71	Cell Line	HEK293	Homo sapiens	CC50	=	9.0	ug.mL-1	PMID[33738069]
NPT82	Cell Line	MDA-MB-231	Homo sapiens	IC50	=	69700.0	nM	PMID[33139111]
NPT71	Cell Line	HEK293	Homo sapiens	CC50	=	9.0	ug.mL-1	PMID[33609657]
NPT71	Cell Line	HEK293	Homo sapiens	CC50	=	9.0	ug.mL-1	PMID[32619924]
NPT2	Others	Unspecified		IC50	=	6750.0	nM	PMID[1322985]
NPT544	Protein Family	Estrogen receptor	Homo sapiens	IC50	=	2000.0	nM	PMID[14971899]
NPT1732	Protein Family	Estrogen receptor	Rattus norvegicus	ED50	>	10.0	mg.kg-1	PMID[9154963]
NPT3844	Protein Complex	Anti-estrogen binding site (AEBS)	Homo sapiens	IC50	=	12.0	nM	PMID[2909731]
NPT3844	Protein Complex	Anti-estrogen binding site (AEBS)	Homo sapiens	Ratio	=	100.0	n.a.	PMID[2909731]
NPT2	Others	Unspecified		Inhibition	=	44.0	%	PMID[1548683]
NPT25153	PROTEIN FAMILY	Estrogen receptor	Mus musculus	Inhibition	=	43.0	%	PMID[3016262]
NPT25153	PROTEIN FAMILY	Estrogen receptor	Mus musculus	Inhibition	=	100.0	%	PMID[3016262]
NPT25153	PROTEIN FAMILY	Estrogen receptor	Mus musculus	Inhibition	=	79.0	%	PMID[3016262]
NPT25153	PROTEIN FAMILY	Estrogen receptor	Mus musculus	Inhibition	=	0.0	%	PMID[3016262]
NPT25153	PROTEIN FAMILY	Estrogen receptor	Mus musculus	Inhibition	=	11.0	%	PMID[3016262]
NPT544	Protein Family	Estrogen receptor	Homo sapiens	IC50	=	500.0	nM	PMID[12672249]
NPT544	Protein Family	Estrogen receptor	Homo sapiens	IC50	=	300.0	nM	PMID[9089332]
NPT1732	Protein Family	Estrogen receptor	Rattus norvegicus	Inhibition	=	37.0	%	PMID[2258908]
NPT544	Protein Family	Estrogen receptor	Homo sapiens	IC50	=	3900.0	nM	PMID[8784443]
NPT544	Protein Family	Estrogen receptor	Homo sapiens	Ki	=	157.0	nM	PMID[11297454]
NPT25153	PROTEIN FAMILY	Estrogen receptor	Mus musculus	Inhibition	=	7.0	%	PMID[2033587]
NPT25153	PROTEIN FAMILY	Estrogen receptor	Mus musculus	Inhibition	=	3.0	%	PMID[2033587]
NPT3030	Protein Family	Protein kinase C, PKC; classical	Rattus norvegicus	Inhibition	=	49.0	%	PMID[1738150]
NPT3030	Protein Family	Protein kinase C, PKC; classical	Rattus norvegicus	Inhibition	=	21.0	%	PMID[1738150]
NPT2	Others	Unspecified		Inhibition	=	107.0	%	PMID[1738150]
NPT544	Protein Family	Estrogen receptor	Homo sapiens	IC50	=	530.0	nM	DOI[10.1016/S0960-894X(97)00130-3]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ED50	=	0.2	mg.kg-1	PMID[9548817]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	ED50	=	0.2	mg.kg-1	PMID[9003514]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	4.0	%	PMID[1995907]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	0.0	%	PMID[1995907]
NPT32	Organism	Mus musculus	Mus musculus	Activity	=	-12.0	%	PMID[1995907]
NPT544	Protein Family	Estrogen receptor	Homo sapiens	Inhibition	=	20.5	%	PMID[1995907]
NPT544	Protein Family	Estrogen receptor	Homo sapiens	Inhibition	=	51.8	%	PMID[1995907]
NPT544	Protein Family	Estrogen receptor	Homo sapiens	Inhibition	=	71.9	%	PMID[1995907]
NPT3844	Protein Complex	Anti-estrogen binding site (AEBS)	Homo sapiens	Kd	=	1.0	nM	PMID[12620065]
NPT32	Organism	Mus musculus	Mus musculus	Inhibition	=	9.8	%	PMID[3735317]
NPT25153	PROTEIN FAMILY	Estrogen receptor	Mus musculus	Inhibition	=	87.0	%	PMID[3735317]
NPT544	Protein Family	Estrogen receptor	Homo sapiens	IC50	=	904.0	nM	PMID[10328300]
NPT2	Others	Unspecified		IC50	=	6800.0	nM	PMID[7830266]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	Ki	=	100.0	nM	PMID[12477351]
NPT544	Protein Family	Estrogen receptor	Homo sapiens	Ki	=	11.9	nM	PMID[9216828]
NPT544	Protein Family	Estrogen receptor	Homo sapiens	Ki	=	34.4	nM	PMID[9216828]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	2300.0	nM	PMID[15658875]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	10600.0	nM	PMID[15658875]
NPT544	Protein Family	Estrogen receptor	Homo sapiens	IC50	=	11300.0	nM	PMID[15509159]
NPT544	Protein Family	Estrogen receptor	Homo sapiens	IC50	=	580.0	nM	PMID[15658851]
NPT544	Protein Family	Estrogen receptor	Homo sapiens	Activity	=	42.0	%	PMID[15658851]
NPT544	Protein Family	Estrogen receptor	Homo sapiens	Activity	=	68.0	%	PMID[15658851]
NPT544	Protein Family	Estrogen receptor	Homo sapiens	Activity	=	18.0	n.a.	PMID[16275069]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Inhibition	=	49.0	%	PMID[16979337]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	46.32	mg	PMID[16979337]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	155.0	%	PMID[16979337]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	52.3	mg	PMID[16979337]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	49.0	%	PMID[16979337]
NPT2	Others	Unspecified		Ratio IC50	=	2.42	n.a.	PMID[18835176]
NPT2	Others	Unspecified		EC50	=	39400.0	nM	PMID[18524592]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	EC50	=	56500.0	nM	PMID[18524592]
NPT2	Others	Unspecified		Inhibition	=	71.0	%	PMID[18182301]
NPT2	Others	Unspecified		IC50	>	40000.0	nM	PMID[19733085]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Inhibition	=	27.4	%	PMID[19740667]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	208.8	%	PMID[19740667]
NPT900	Individual Protein	3-keto-steroid reductase	Homo sapiens	Inhibition	=	8.9	%	PMID[19772289]
NPT900	Individual Protein	3-keto-steroid reductase	Homo sapiens	Inhibition	=	3.2	%	PMID[19772289]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Inhibition	=	0.0	%	PMID[19366247]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Inhibition	=	109.0	%	PMID[19366247]
NPT2	Others	Unspecified		Inhibition	=	25.0	%	PMID[20227879]
NPT2	Others	Unspecified		Inhibition	=	14.0	%	PMID[20227879]
NPT2	Others	Unspecified		Ratio	=	0.7	n.a.	PMID[20430632]
NPT26895	SINGLE PROTEIN	Phospholipase D1	Rattus norvegicus	IC50	>	20000.0	nM	PMID[19136975]
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	IZ	=	7.0	mm	PMID[20739103]
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	IZ	=	2.0	mm	PMID[20739103]
NPT1173	Organism	Candida albicans SC5314	Candida albicans SC5314	MIC	=	32.0	ug.mL-1	PMID[19487443]
NPT85	Organism	Filobasidiella neoformans	Cryptococcus neoformans	MIC	=	64.0	ug.mL-1	PMID[19487443]
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	MIC	=	12.0	ug.mL-1	PMID[19487443]
NPT20	Organism	Candida albicans	Candida albicans	MIC	=	32.0	ug.mL-1	PMID[19487443]
NPT188	Organism	Candida parapsilosis	Candida parapsilosis	MIC	=	64.0	ug.mL-1	PMID[19487443]
NPT2580	Organism	Candida dubliniensis	Candida dubliniensis	MIC	=	16.0	ug.mL-1	PMID[19487443]
NPT554	Organism	Candida glabrata	Candida glabrata	MIC	=	8.0	ug.mL-1	PMID[19487443]
NPT186	Organism	Candida tropicalis	Candida tropicalis	MIC	=	32.0	ug.mL-1	PMID[19487443]
NPT312	Organism	Saccharomyces cerevisiae	Saccharomyces cerevisiae	Activity	=	15.0	%	PMID[19487443]
NPT98	Individual Protein	HERG	Homo sapiens	IC50	=	1584.89	nM	PMID[21185626]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	GI50	=	5754.4	nM	PMID[21513275]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	GI50	=	9549.93	nM	PMID[21513275]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	GI50	=	11481.54	nM	PMID[21513275]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	155.0	%	PMID[21871812]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Inhibition	=	49.0	%	PMID[21871812]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	8640.0	nM	PMID[22749392]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	8920.0	nM	PMID[22749392]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	11090.0	nM	PMID[22749392]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	7620.0	nM	PMID[22749392]
NPT2	Others	Unspecified		Ratio IC50	=	1.53	n.a.	PMID[22647217]
NPT27	Others	Unspecified		IC50	=	23750.0	nM	PMID[22775474]
NPT433	Subcellular	Liver microsomes	Homo sapiens	Activity	=	12.0	pmol	PMID[22931300]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	Inhibition	=	86.0	%	PMID[10213372]
NPT713	Individual Protein	Bile salt export pump	Homo sapiens	IC50	=	15400.0	nM	PMID[12739759]
NPT713	Individual Protein	Bile salt export pump	Homo sapiens	IC50	=	23300.0	nM	PMID[12739759]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	IC50	=	12100.0	nM	PMID[11716514]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	IC50	=	29000.0	nM	PMID[15386482]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	IC50	=	31400.0	nM	PMID[11716514]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	IC50	=	6400.0	nM	PMID[11716514]
NPT72	Individual Protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	28.5	%	PMID[22541068]
NPT73	Individual Protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	25.6	%	PMID[22541068]
NPT27	Others	Unspecified		IC50	>	20000.0	nM	PMID[23287057]
NPT2	Others	Unspecified		Ratio Ki	=	12.0	n.a.	PMID[23199475]
NPT27	Others	Unspecified		Ratio IC50	=	1.07	n.a.	PMID[23786452]
NPT27	Others	Unspecified		LC50	=	4890.0	nM	PMID[24183589]
NPT2	Others	Unspecified		EC50	=	4390.0	nM	PMID[24183589]
NPT2	Others	Unspecified		Ratio	=	1.11	n.a.	PMID[24183589]
NPT27	Others	Unspecified		Activity	=	143.0	%	DOI[10.1039/C3MD20354A]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	33120.0	nM	PMID[25222876]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	64870.0	nM	PMID[25222876]
NPT27	Others	Unspecified		IC50	>	100000.0	nM	PMID[25222876]
NPT72	Individual Protein	Solute carrier organic anion transporter family member 1B3	Homo sapiens	Inhibition	=	38.1	%	PMID[25618019]
NPT73	Individual Protein	Solute carrier organic anion transporter family member 1B1	Homo sapiens	Inhibition	=	16.4	%	PMID[25618019]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	5500.0	nM	PMID[26079090]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Inhibition	=	100.8	%	PMID[26355532]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Inhibition	=	98.4	%	PMID[26355532]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	7500.0	nM	PMID[26355532]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	3500.0	nM	PMID[26355532]
NPT27	Others	Unspecified		IC50	>	10000.0	nM	PMID[26355532]
NPT2	Others	Unspecified		Ratio IC50	>	2.1	n.a.	PMID[26355532]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	Inhibition	=	95.7	%	PMID[26355532]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	4700.0	nM	PMID[26355532]
NPT2	Others	Unspecified		Ratio IC50	=	22.2	n.a.	PMID[26896706]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	GI50	=	2500.0	nM	PMID[26896706]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	GI50	=	3160.0	nM	PMID[26896706]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	GI50	=	5010.0	nM	PMID[26896706]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	GI50	=	10000.0	nM	PMID[26896706]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	GI50	=	6300.0	nM	PMID[26896706]
NPT1208	Organism	Leishmania braziliensis	Leishmania braziliensis	Activity	=	95.0	%	PMID[27080183]
NPT1219	Organism	Leishmania chagasi	Leishmania chagasi	Activity	=	95.0	%	PMID[27080183]
NPT1219	Organism	Leishmania chagasi	Leishmania chagasi	Activity	=	100.0	%	PMID[27080183]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	GI50	=	32000.0	nM	PMID[27128175]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	>	40000.0	nM	PMID[27155469]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	6990.0	nM	PMID[27228159]
NPT316	Protein Family	Protein kinase C (PKC)	Homo sapiens	Inhibition	=	27.0	%	PMID[27647375]
NPT316	Protein Family	Protein kinase C (PKC)	Homo sapiens	Inhibition	=	52.0	%	PMID[27647375]
NPT1284	Protein Family	Protein kinase C (PKC)	Rattus norvegicus	IC50	=	75000.0	nM	PMID[27647375]
NPT316	Protein Family	Protein kinase C (PKC)	Homo sapiens	IC50	=	1000.0	nM	PMID[27647375]
NPT316	Protein Family	Protein kinase C (PKC)	Homo sapiens	IC50	=	20000.0	nM	PMID[27647375]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	18180.0	nM	PMID[27671497]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	11060.0	nM	PMID[27671497]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	17300.0	nM	PMID[27671497]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	18070.0	nM	PMID[27671497]
NPT20529	NON-MOLECULAR	NON-PROTEIN TARGET	n.a.	IC50	=	5390.0	nM	PMID[27671497]
NPT713	Individual Protein	Bile salt export pump	Homo sapiens	IC50	>	135000.0	nM	PMID[20829430]
NPT713	Individual Protein	Bile salt export pump	Homo sapiens	IC50	<	10000.0	nM	PMID[22961681]
NPT713	Individual Protein	Bile salt export pump	Homo sapiens	IC50	>	133000.0	nM	PMID[23956101]
NPT2	Others	Unspecified		IC50	=	730.0	nM	PMID[29624387]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Inhibition	=	78.0	%	PMID[30086626]
NPT2	Others	Unspecified		Ratio IC50	=	2.58	n.a.	PMID[29054359]
NPT2	Others	Unspecified		Ratio IC50	=	2.1	n.a.	PMID[29054359]
NPT2	Others	Unspecified		Ratio IC50	=	2.4	n.a.	PMID[28426931]
NPT544	Protein Family	Estrogen receptor	Homo sapiens	IC50	=	280.0	nM	PMID[28426931]
NPT544	Protein Family	Estrogen receptor	Homo sapiens	Activity	=	10.0	%	PMID[28426931]
NPT2	Others	Unspecified		IC50	=	10200.0	nM	PMID[29604541]
NPT1284	Protein Family	Protein kinase C (PKC)	Rattus norvegicus	Inhibition	=	27.0	%	PMID[29207335]
NPT2	Others	Unspecified		IC50	=	42100.0	nM	PMID[31610378]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	Ratio	=	1.05	n.a.	PMID[30613324]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	Ratio	=	1.01	n.a.	PMID[30613324]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	Ratio	=	1.07	n.a.	PMID[30613324]
NPT668	Individual Protein	P-glycoprotein 1	Homo sapiens	Ratio	=	1.13	n.a.	PMID[30613324]
NPT4383	Uncleic Acid	Ribosomal RNA A-site		IC50	=	18080.0	nM	PMID[30530174]
NPT2	Others	Unspecified		IC50	=	11230.0	nM	PMID[30638761]
NPT27	Others	Unspecified		Activity	=	4.99	%	PMID[31620225]
NPT2	Others	Unspecified		IC50	=	46000.0	nM	PMID[31673312]
NPT486	Organism	Toxoplasma gondii	Toxoplasma gondii	IC50	=	1900.0	nM	PMID[31585276]
NPT29	Organism	Rattus norvegicus	Rattus norvegicus	Activity	=	36.0	%	PMID[30732944]
NPT2	Others	Unspecified		EC50	=	10000.0	nM	PMID[31757667]
NPT2	Others	Unspecified		EC50	=	2000.0	nM	PMID[32648758]
NPT2	Others	Unspecified		IC50	=	46200.0	nM	PMID[32386856]
NPT2	Others	Unspecified		Ratio IC50	=	1.7	n.a.	PMID[32386856]
NPT2	Others	Unspecified		Ratio IC50	=	1.8	n.a.	PMID[32386856]
NPT2	Others	Unspecified		Ratio IC50	=	2.0	n.a.	PMID[32386856]
NPT2	Others	Unspecified		Ratio IC50	=	2.43	n.a.	PMID[31987694]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	20000.0	nM	DOI[10.6019/CHEMBL4651402]
NPT20555	ORGANISM	SARS-CoV-2	Severe acute respiratory syndrome coronavirus 2	IC50	>	19952.62	nM	DOI[10.6019/CHEMBL4651402]
NPT2	Others	Unspecified		Ratio CC50/IC50	=	19.0	n.a.	PMID[32886512]
NPT2	Others	Unspecified		Ratio CC50/IC50	=	336.0	n.a.	PMID[32886512]
NPT24750	ORGANISM	Zaire ebolavirus	Zaire ebolavirus	IC50	=	100.0	nM	PMID[32886512]
NPT26904	ORGANISM	Marburgvirus	Marburgvirus	IC50	=	1810.0	nM	PMID[32886512]
NPT2	Others	Unspecified		CC50	=	11100.0	nM	PMID[33373820]
NPT2	Others	Unspecified		Ratio IC50	=	0.7	n.a.	PMID[33373820]
NPT27	Others	Unspecified		Ratio CC50/IC50	=	1.2	n.a.	PMID[33373820]
NPT2	Others	Unspecified		CC50	=	12700.0	nM	PMID[33373820]
NPT2	Others	Unspecified		Ratio IC50	=	0.9	n.a.	PMID[33373820]
NPT27	Others	Unspecified		Ratio CC50/IC50	=	2.0	n.a.	PMID[33373820]
NPT2	Others	Unspecified		Activity	=	23.0	%	PMID[33373820]
NPT23303	CELL-LINE	HL-60(TB)	Homo sapiens	GI	=	60.4	%	PMID[32898794]
NPT2	Others	Unspecified		GI50	=	4010.0	nM	PMID[32898794]
NPT2	Others	Unspecified		TGI	=	9200.0	nM	PMID[32898794]
NPT2	Others	Unspecified		LC50	=	2600.0	nM	PMID[32898794]
NPT2	Others	Unspecified		GI50	=	1880.0	nM	PMID[32898794]
NPT2	Others	Unspecified		TGI	=	5960.0	nM	PMID[32898794]
NPT2	Others	Unspecified		LC50	=	1770.0	nM	PMID[32898794]
NPT2	Others	Unspecified		GI50	=	4040.0	nM	PMID[32898794]
NPT2	Others	Unspecified		TGI	=	10600.0	nM	PMID[32898794]
NPT2	Others	Unspecified		LC50	=	44140.0	nM	PMID[32898794]
NPT2	Others	Unspecified		GI50	=	2030.0	nM	PMID[32898794]
NPT2	Others	Unspecified		TGI	=	5490.0	nM	PMID[32898794]
NPT2	Others	Unspecified		LC50	=	1700.0	nM	PMID[32898794]
NPT2	Others	Unspecified		GI50	=	4700.0	nM	PMID[32898794]
NPT2	Others	Unspecified		TGI	=	11860.0	nM	PMID[32898794]
NPT2	Others	Unspecified		LC50	=	2780.0	nM	PMID[32898794]
NPT2	Others	Unspecified		GI50	=	7710.0	nM	PMID[32898794]
NPT2	Others	Unspecified		TGI	=	1190.0	nM	PMID[32898794]
NPT2	Others	Unspecified		LC50	=	2590.0	nM	PMID[32898794]
NPT2	Others	Unspecified		GI50	=	4400.0	nM	PMID[32898794]
NPT2	Others	Unspecified		TGI	=	11130.0	nM	PMID[32898794]
NPT2	Others	Unspecified		LC50	=	233000.0	nM	PMID[32898794]
NPT2	Others	Unspecified		GI50	=	3050.0	nM	PMID[32898794]
NPT2	Others	Unspecified		TGI	=	10380.0	nM	PMID[32898794]
NPT2	Others	Unspecified		LC50	=	2830.0	nM	PMID[32898794]
NPT28072	CELL-LINE	M-HeLa	Homo sapiens	IC50	=	28000.0	nM	PMID[31610378]
NPT28072	CELL-LINE	M-HeLa	Homo sapiens	IC50	=	28000.0	nM	PMID[31673312]
NPT28072	CELL-LINE	M-HeLa	Homo sapiens	IC50	=	28000.0	nM	PMID[32386856]

☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.

Chemically structural similarity: I. Similar Active Natural Products in NPASS

Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC114816 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	212
0.1-0.2	1672
0.2-0.3	8160
0.3-0.4	10820
0.4-0.5	5219
0.5-0.6	11167
0.6-0.7	5039
0.7-0.8	396
0.8-0.85	9
0.85-0.9	0
0.9-0.95	2
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID

Chemically structural similarity: II. Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC114816 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	173
0.1-0.2	905
0.2-0.3	1077
0.3-0.4	2236
0.4-0.5	2242
0.5-0.6	1501
0.6-0.7	751
0.7-0.8	222
0.8-0.85	25
0.85-0.9	7
0.9-0.95	8
0.95-1	3

Similarity Score	Similarity Level	Drug ID	Developmental Stage

Bioactivity similarity: Similar Natural Products in NPASS

Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.

Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.

A: chemistry similarity

B: biological targets similarity

C: networks similarity

D: cell-based bioactivity similarity

E: similarity based on clinical data