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PubMed code 25751283

Compile data set for download or QSAR
Found 79 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50081468
PNG
(CHEMBL3422028)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C24H25NO3/c1-2-23(17-3-9-20(26)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,26-27H,2,15-16,25H2,1H3/b24-23+
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 56n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2 assessed as metabolism of 3-cyano-7-ethoxycoumarin after 30 mins by fluorescence assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50435005
PNG
(CHEMBL2386285)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23+
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 76n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2 assessed as metabolism of 3-cyano-7-ethoxycoumarin after 30 mins by fluorescence assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50435005
PNG
(CHEMBL2386285)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23+
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 375n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 assessed as metabolism of 7-benzyloxy-4-trifluoromethylcoumarin to HFC after 30 mins by fluorescence assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50081468
PNG
(CHEMBL3422028)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C24H25NO3/c1-2-23(17-3-9-20(26)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,26-27H,2,15-16,25H2,1H3/b24-23+
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 423n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6 after 30 mins by fluorescence assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))		BDBM50081468
PNG
(CHEMBL3422028)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C24H25NO3/c1-2-23(17-3-9-20(26)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,26-27H,2,15-16,25H2,1H3/b24-23+
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 710n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2A6 assessed as metabolism of coumarin to 7-hydroxycoumarin after 30 mins by fluorescence assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Cytochrome P450 3A5


(Homo sapiens (Human))		BDBM50435005
PNG
(CHEMBL2386285)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23+
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 829n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A5 assessed as metabolism of 7-benzyloxy-4-trifluoromethylcoumarin to HFC after 30 mins by fluorescence assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Cytochrome P450 3A5


(Homo sapiens (Human))		BDBM50081468
PNG
(CHEMBL3422028)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C24H25NO3/c1-2-23(17-3-9-20(26)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,26-27H,2,15-16,25H2,1H3/b24-23+
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 855n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A5 assessed as metabolism of 7-benzyloxy-4-trifluoromethylcoumarin to HFC after 30 mins by fluorescence assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50081468
PNG
(CHEMBL3422028)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C24H25NO3/c1-2-23(17-3-9-20(26)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,26-27H,2,15-16,25H2,1H3/b24-23+
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 1.64E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 assessed as metabolism of 7-benzyloxy-4-trifluoromethylcoumarin to HFC after 30 mins by fluorescence assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))		BDBM50435005
PNG
(CHEMBL2386285)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23+
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 2.18E+3n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2A6 assessed as metabolism of coumarin to 7-hydroxycoumarin after 30 mins by fluorescence assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM13061
PNG
(4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitr...)
Show SMILES N#Cc1ccc(cc1)C(c1ccc(cc1)C#N)n1cncn1
Show InChI InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H
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n/an/a 5.30n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081410
PNG
(CHEMBL3422041)
Show SMILES NCCOc1ccc(cc1)C(=C(/Cn1ccnc1)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C26H25N3O2/c27-14-17-31-24-12-8-22(9-13-24)26(21-6-10-23(30)11-7-21)25(18-29-16-15-28-19-29)20-4-2-1-3-5-20/h1-13,15-16,19,30H,14,17-18,27H2/b26-25+
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n/an/a 17n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081468
PNG
(CHEMBL3422028)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C24H25NO3/c1-2-23(17-3-9-20(26)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,26-27H,2,15-16,25H2,1H3/b24-23+
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n/an/a 45n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081463
PNG
(CHEMBL3422033)
Show SMILES CC\C(=C(\c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C24H26N2O2/c1-2-23(17-5-11-21(27)12-6-17)24(18-3-9-20(26)10-4-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,27H,2,15-16,25-26H2,1H3/b24-23+
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n/an/a 48n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081416
PNG
(CHEMBL3422040)
Show SMILES NCCOc1ccc(cc1)C(=C(/CC#N)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C24H22N2O2/c25-15-14-23(18-4-2-1-3-5-18)24(19-6-10-21(27)11-7-19)20-8-12-22(13-9-20)28-17-16-26/h1-13,27H,14,16-17,26H2/b24-23+
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n/an/a 49n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081464
PNG
(CHEMBL3422032)
Show SMILES CC\C(=C(\c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H26N2O/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15H,2,16-17,25-26H2,1H3/b24-23+
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n/an/a 53n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50435005
PNG
(CHEMBL2386285)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23+
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n/an/a 102n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081432
PNG
(CHEMBL3422036)
Show SMILES NCCOc1ccc(cc1)C(=C(/CCCl)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C24H24ClNO2/c25-15-14-23(18-4-2-1-3-5-18)24(19-6-10-21(27)11-7-19)20-8-12-22(13-9-20)28-17-16-26/h1-13,27H,14-17,26H2/b24-23+
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n/an/a 143n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081408
PNG
(CHEMBL3422042)
Show SMILES NCCOc1ccc(cc1)C(=C(/Cn1cncn1)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C25H24N4O2/c26-14-15-31-23-12-8-21(9-13-23)25(20-6-10-22(30)11-7-20)24(16-29-18-27-17-28-29)19-4-2-1-3-5-19/h1-13,17-18,30H,14-16,26H2/b25-24+
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n/an/a 174n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50435005
PNG
(CHEMBL2386285)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23+
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n/an/a 207n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2 assessed as metabolism of 3-cyano-7-ethoxycoumarin after 30 mins by fluorescence assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50081468
PNG
(CHEMBL3422028)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C24H25NO3/c1-2-23(17-3-9-20(26)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,26-27H,2,15-16,25H2,1H3/b24-23+
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n/an/a 207n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2 assessed as metabolism of 3-cyano-7-ethoxycoumarin after 30 mins by fluorescence assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081430
PNG
(CHEMBL3422037)
Show SMILES CCC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c1-2-6-24(19-7-4-3-5-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26/h3-5,7-16,27H,2,6,17-18,26H2,1H3/b25-24+
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n/an/a 261n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50435005
PNG
(CHEMBL2386285)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23+
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n/an/a 285n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 assessed as metabolism of 7-benzyloxy-4-trifluoromethylcoumarin to HFC after 30 mins by fluorescence assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081421
PNG
(CHEMBL3422038)
Show SMILES CC(C)C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)\c1ccccc1
Show InChI InChI=1S/C25H27NO2/c1-18(2)24(19-6-4-3-5-7-19)25(20-8-12-22(27)13-9-20)21-10-14-23(15-11-21)28-17-16-26/h3-15,18,27H,16-17,26H2,1-2H3/b25-24+
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n/an/a 328n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081433
PNG
(CHEMBL3422035)
Show SMILES C\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C23H23NO2/c1-17(18-5-3-2-4-6-18)23(19-7-11-21(25)12-8-19)20-9-13-22(14-10-20)26-16-15-24/h2-14,25H,15-16,24H2,1H3/b23-17+
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n/an/a 337n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081536
PNG
(CHEMBL3422052)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(CCCN)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C25H27NO2/c1-2-24(19-9-13-22(27)14-10-19)25(21-11-15-23(28)16-12-21)20-7-5-18(6-8-20)4-3-17-26/h5-16,27-28H,2-4,17,26H2,1H3/b25-24-
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n/an/a 491n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081469
PNG
(CHEMBL3422045)
Show SMILES NCCOc1ccc(cc1)C(=C1/CCc2ccccc12)\c1ccc(O)cc1
Show InChI InChI=1S/C24H23NO2/c25-15-16-27-21-12-7-19(8-13-21)24(18-5-10-20(26)11-6-18)23-14-9-17-3-1-2-4-22(17)23/h1-8,10-13,26H,9,14-16,25H2/b24-23+
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n/an/a 493n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Cytochrome P450 3A5


(Homo sapiens (Human))		BDBM50081468
PNG
(CHEMBL3422028)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C24H25NO3/c1-2-23(17-3-9-20(26)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,26-27H,2,15-16,25H2,1H3/b24-23+
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n/an/a 556n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A5 assessed as metabolism of 7-benzyloxy-4-trifluoromethylcoumarin to HFC after 30 mins by fluorescence assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081403
PNG
(CHEMBL3422044)
Show SMILES NCCOc1ccc(cc1)C(=C(/Cn1cnnc1)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C25H24N4O2/c26-14-15-31-23-12-8-21(9-13-23)25(20-6-10-22(30)11-7-20)24(16-29-17-27-28-18-29)19-4-2-1-3-5-19/h1-13,17-18,30H,14-16,26H2/b25-24+
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n/an/a 699n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081407
PNG
(CHEMBL3422043)
Show SMILES NCCOc1ccc(cc1)C(=C(\Cn1cnnc1)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C25H24N4O2/c26-14-15-31-23-12-8-21(9-13-23)25(20-6-10-22(30)11-7-20)24(16-29-17-27-28-18-29)19-4-2-1-3-5-19/h1-13,17-18,30H,14-16,26H2/b25-24-
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n/an/a 715n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Cytochrome P450 3A5


(Homo sapiens (Human))		BDBM50435005
PNG
(CHEMBL2386285)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23+
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n/an/a 723n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A5 assessed as metabolism of 7-benzyloxy-4-trifluoromethylcoumarin to HFC after 30 mins by fluorescence assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081465
PNG
(CHEMBL3422031)
Show SMILES CC\C(=C(\c1ccccc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO/c1-2-23(19-9-5-3-6-10-19)24(20-11-7-4-8-12-20)21-13-15-22(16-14-21)26-18-17-25/h3-16H,2,17-18,25H2,1H3/b24-23+
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n/an/a 913n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081467
PNG
(CHEMBL3422029)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H24FNO2/c1-2-23(17-3-9-20(25)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-26/h3-14,27H,2,15-16,26H2,1H3/b24-23+
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n/an/a 1.02E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081530
PNG
(CHEMBL3422050)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCCN)cc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c1-2-24(19-7-4-3-5-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-6-17-26/h3-5,7-16,27H,2,6,17-18,26H2,1H3/b25-24+
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n/an/a 1.24E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081466
PNG
(CHEMBL3422030)
Show SMILES [#6]-[#6]\[#6](-[#6]-[#6])=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7])cc1
Show InChI InChI=1S/C20H25NO2/c1-3-15(4-2)20(16-5-9-18(22)10-6-16)17-7-11-19(12-8-17)23-14-13-21/h5-12,22H,3-4,13-14,21H2,1-2H3
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n/an/a 1.32E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50081468
PNG
(CHEMBL3422028)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C24H25NO3/c1-2-23(17-3-9-20(26)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,26-27H,2,15-16,25H2,1H3/b24-23+
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n/an/a 1.88E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 assessed as metabolism of 7-benzyloxy-4-trifluoromethylcoumarin to HFC after 30 mins by fluorescence assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081418
PNG
(CHEMBL3422039)
Show SMILES [#7]-[#6]-[#6]-[#8]-c1ccc(cc1)-[#6](=[#6](\c1ccccc1)-c1ccccc1)\c1ccc(-[#8])cc1
Show InChI InChI=1S/C28H25NO2/c29-19-20-31-26-17-13-24(14-18-26)28(23-11-15-25(30)16-12-23)27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,30H,19-20,29H2
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n/an/a 1.93E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50081468
PNG
(CHEMBL3422028)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C24H25NO3/c1-2-23(17-3-9-20(26)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,26-27H,2,15-16,25H2,1H3/b24-23+
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n/an/a 3.60E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6 after 30 mins by fluorescence assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081471
PNG
(CHEMBL3422047)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCC(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C24H22O4/c1-2-22(17-6-4-3-5-7-17)24(18-8-12-20(25)13-9-18)19-10-14-21(15-11-19)28-16-23(26)27/h3-15,25H,2,16H2,1H3,(H,26,27)/b24-22+
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n/an/a 3.68E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081462
PNG
(CHEMBL3422034)
Show SMILES NCCOc1ccc(cc1)C(=C\c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C22H21NO2/c23-14-15-25-21-12-8-19(9-13-21)22(16-17-4-2-1-3-5-17)18-6-10-20(24)11-7-18/h1-13,16,24H,14-15,23H2/b22-16+
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n/an/a 6.29E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))		BDBM50435005
PNG
(CHEMBL2386285)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23+
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n/an/a 6.37E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2A6 assessed as metabolism of coumarin to 7-hydroxycoumarin after 30 mins by fluorescence assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))		BDBM50081468
PNG
(CHEMBL3422028)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C24H25NO3/c1-2-23(17-3-9-20(26)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,26-27H,2,15-16,25H2,1H3/b24-23+
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n/an/a 6.37E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2A6 assessed as metabolism of coumarin to 7-hydroxycoumarin after 30 mins by fluorescence assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081535
PNG
(CHEMBL3422051)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(CCCN)cc1)c1ccccc1
Show InChI InChI=1S/C25H27NO/c1-2-24(20-8-4-3-5-9-20)25(22-14-16-23(27)17-15-22)21-12-10-19(11-13-21)7-6-18-26/h3-5,8-17,27H,2,6-7,18,26H2,1H3/b25-24-
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n/an/a 7.34E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50081470
PNG
(CHEMBL3422046)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCO)cc1)c1ccccc1
Show InChI InChI=1S/C24H24O3/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,25-26H,2,16-17H2,1H3/b24-23+
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n/an/a 3.05E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50081464
PNG
(CHEMBL3422032)
Show SMILES CC\C(=C(\c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H26N2O/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15H,2,16-17,25-26H2,1H3/b24-23+
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n/an/an/an/a 182n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50081536
PNG
(CHEMBL3422052)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(CCCN)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C25H27NO2/c1-2-24(19-9-13-22(27)14-10-19)25(21-11-15-23(28)16-12-21)20-7-5-18(6-8-20)4-3-17-26/h5-16,27-28H,2-4,17,26H2,1H3/b25-24-
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n/an/an/an/a 293n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50435005
PNG
(CHEMBL2386285)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23+
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n/an/an/an/a 35n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50081530
PNG
(CHEMBL3422050)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCCN)cc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c1-2-24(19-7-4-3-5-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-6-17-26/h3-5,7-16,27H,2,6,17-18,26H2,1H3/b25-24+
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n/an/an/an/a 21n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50081403
PNG
(CHEMBL3422044)
Show SMILES NCCOc1ccc(cc1)C(=C(/Cn1cnnc1)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C25H24N4O2/c26-14-15-31-23-12-8-21(9-13-23)25(20-6-10-22(30)11-7-20)24(16-29-17-27-28-18-29)19-4-2-1-3-5-19/h1-13,17-18,30H,14-16,26H2/b25-24+
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n/an/an/an/a 58n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50081463
PNG
(CHEMBL3422033)
Show SMILES CC\C(=C(\c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C24H26N2O2/c1-2-23(17-5-11-21(27)12-6-17)24(18-3-9-20(26)10-4-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,27H,2,15-16,25-26H2,1H3/b24-23+
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n/an/an/an/a 50n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50081432
PNG
(CHEMBL3422036)
Show SMILES NCCOc1ccc(cc1)C(=C(/CCCl)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C24H24ClNO2/c25-15-14-23(18-4-2-1-3-5-18)24(19-6-10-21(27)11-7-19)20-8-12-22(13-9-20)28-17-16-26/h1-13,27H,14-17,26H2/b24-23+
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n/an/an/an/a 52n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50081407
PNG
(CHEMBL3422043)
Show SMILES NCCOc1ccc(cc1)C(=C(\Cn1cnnc1)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C25H24N4O2/c26-14-15-31-23-12-8-21(9-13-23)25(20-6-10-22(30)11-7-20)24(16-29-17-27-28-18-29)19-4-2-1-3-5-19/h1-13,17-18,30H,14-16,26H2/b25-24-
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n/an/an/an/a 48n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50081407
PNG
(CHEMBL3422043)
Show SMILES NCCOc1ccc(cc1)C(=C(\Cn1cnnc1)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C25H24N4O2/c26-14-15-31-23-12-8-21(9-13-23)25(20-6-10-22(30)11-7-20)24(16-29-17-27-28-18-29)19-4-2-1-3-5-19/h1-13,17-18,30H,14-16,26H2/b25-24-
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n/an/an/an/a 57n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50435005
PNG
(CHEMBL2386285)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H25NO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17,25H2,1H3/b24-23+
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n/an/an/an/a 27n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50081408
PNG
(CHEMBL3422042)
Show SMILES NCCOc1ccc(cc1)C(=C(/Cn1cncn1)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C25H24N4O2/c26-14-15-31-23-12-8-21(9-13-23)25(20-6-10-22(30)11-7-20)24(16-29-18-27-17-28-29)19-4-2-1-3-5-19/h1-13,17-18,30H,14-16,26H2/b25-24+
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n/an/an/an/a 290n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50081433
PNG
(CHEMBL3422035)
Show SMILES C\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C23H23NO2/c1-17(18-5-3-2-4-6-18)23(19-7-11-21(25)12-8-19)20-9-13-22(14-10-20)26-16-15-24/h2-14,25H,15-16,24H2,1H3/b23-17+
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n/an/an/an/a 675n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50081432
PNG
(CHEMBL3422036)
Show SMILES NCCOc1ccc(cc1)C(=C(/CCCl)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C24H24ClNO2/c25-15-14-23(18-4-2-1-3-5-18)24(19-6-10-21(27)11-7-19)20-8-12-22(13-9-20)28-17-16-26/h1-13,27H,14-17,26H2/b24-23+
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n/an/an/an/a 265n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50081536
PNG
(CHEMBL3422052)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(CCCN)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C25H27NO2/c1-2-24(19-9-13-22(27)14-10-19)25(21-11-15-23(28)16-12-21)20-7-5-18(6-8-20)4-3-17-26/h5-16,27-28H,2-4,17,26H2,1H3/b25-24-
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n/an/an/an/a 1.92E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50081462
PNG
(CHEMBL3422034)
Show SMILES NCCOc1ccc(cc1)C(=C\c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C22H21NO2/c23-14-15-25-21-12-8-19(9-13-21)22(16-17-4-2-1-3-5-17)18-6-10-20(24)11-7-18/h1-13,16,24H,14-15,23H2/b22-16+
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n/an/an/an/a 20n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50081462
PNG
(CHEMBL3422034)
Show SMILES NCCOc1ccc(cc1)C(=C\c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C22H21NO2/c23-14-15-25-21-12-8-19(9-13-21)22(16-17-4-2-1-3-5-17)18-6-10-20(24)11-7-18/h1-13,16,24H,14-15,23H2/b22-16+
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n/an/an/an/a 1.05E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50081430
PNG
(CHEMBL3422037)
Show SMILES CCC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c1-2-6-24(19-7-4-3-5-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26/h3-5,7-16,27H,2,6,17-18,26H2,1H3/b25-24+
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n/an/an/an/a 384n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50081418
PNG
(CHEMBL3422039)
Show SMILES [#7]-[#6]-[#6]-[#8]-c1ccc(cc1)-[#6](=[#6](\c1ccccc1)-c1ccccc1)\c1ccc(-[#8])cc1
Show InChI InChI=1S/C28H25NO2/c29-19-20-31-26-17-13-24(14-18-26)28(23-11-15-25(30)16-12-23)27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,30H,19-20,29H2
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n/an/an/an/a 478n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50081467
PNG
(CHEMBL3422029)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H24FNO2/c1-2-23(17-3-9-20(25)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-26/h3-14,27H,2,15-16,26H2,1H3/b24-23+
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n/an/an/an/a 88n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50081466
PNG
(CHEMBL3422030)
Show SMILES [#6]-[#6]\[#6](-[#6]-[#6])=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7])cc1
Show InChI InChI=1S/C20H25NO2/c1-3-15(4-2)20(16-5-9-18(22)10-6-16)17-7-11-19(12-8-17)23-14-13-21/h5-12,22H,3-4,13-14,21H2,1-2H3
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n/an/an/an/a 277n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50081418
PNG
(CHEMBL3422039)
Show SMILES [#7]-[#6]-[#6]-[#8]-c1ccc(cc1)-[#6](=[#6](\c1ccccc1)-c1ccccc1)\c1ccc(-[#8])cc1
Show InChI InChI=1S/C28H25NO2/c29-19-20-31-26-17-13-24(14-18-26)28(23-11-15-25(30)16-12-23)27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-18,30H,19-20,29H2
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n/an/an/an/a 653n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50081433
PNG
(CHEMBL3422035)
Show SMILES C\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C23H23NO2/c1-17(18-5-3-2-4-6-18)23(19-7-11-21(25)12-8-19)20-9-13-22(14-10-20)26-16-15-24/h2-14,25H,15-16,24H2,1H3/b23-17+
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n/an/an/an/a 28n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50081408
PNG
(CHEMBL3422042)
Show SMILES NCCOc1ccc(cc1)C(=C(/Cn1cncn1)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C25H24N4O2/c26-14-15-31-23-12-8-21(9-13-23)25(20-6-10-22(30)11-7-20)24(16-29-18-27-17-28-29)19-4-2-1-3-5-19/h1-13,17-18,30H,14-16,26H2/b25-24+
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n/an/an/an/a 519n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50081469
PNG
(CHEMBL3422045)
Show SMILES NCCOc1ccc(cc1)C(=C1/CCc2ccccc12)\c1ccc(O)cc1
Show InChI InChI=1S/C24H23NO2/c25-15-16-27-21-12-7-19(8-13-21)24(18-5-10-20(26)11-6-18)23-14-9-17-3-1-2-4-22(17)23/h1-8,10-13,26H,9,14-16,25H2/b24-23+
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n/an/an/an/a 1.35E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50081463
PNG
(CHEMBL3422033)
Show SMILES CC\C(=C(\c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C24H26N2O2/c1-2-23(17-5-11-21(27)12-6-17)24(18-3-9-20(26)10-4-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,27H,2,15-16,25-26H2,1H3/b24-23+
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n/an/an/an/a 144n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50081464
PNG
(CHEMBL3422032)
Show SMILES CC\C(=C(\c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C24H26N2O/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15H,2,16-17,25-26H2,1H3/b24-23+
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n/an/an/an/a 274n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50081403
PNG
(CHEMBL3422044)
Show SMILES NCCOc1ccc(cc1)C(=C(/Cn1cnnc1)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C25H24N4O2/c26-14-15-31-23-12-8-21(9-13-23)25(20-6-10-22(30)11-7-20)24(16-29-17-27-28-18-29)19-4-2-1-3-5-19/h1-13,17-18,30H,14-16,26H2/b25-24+
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n/an/an/an/a 176n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50081535
PNG
(CHEMBL3422051)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(CCCN)cc1)c1ccccc1
Show InChI InChI=1S/C25H27NO/c1-2-24(20-8-4-3-5-9-20)25(22-14-16-23(27)17-15-22)21-12-10-19(11-13-21)7-6-18-26/h3-5,8-17,27H,2,6-7,18,26H2,1H3/b25-24-
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n/an/an/an/a 27n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50081468
PNG
(CHEMBL3422028)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C24H25NO3/c1-2-23(17-3-9-20(26)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,26-27H,2,15-16,25H2,1H3/b24-23+
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n/an/an/an/a 9.5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50081467
PNG
(CHEMBL3422029)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C24H24FNO2/c1-2-23(17-3-9-20(25)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-26/h3-14,27H,2,15-16,26H2,1H3/b24-23+
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n/an/an/an/a 49n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50081430
PNG
(CHEMBL3422037)
Show SMILES CCC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c1-2-6-24(19-7-4-3-5-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-17-26/h3-5,7-16,27H,2,6,17-18,26H2,1H3/b25-24+
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n/an/an/an/a 37n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50081535
PNG
(CHEMBL3422051)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(CCCN)cc1)c1ccccc1
Show InChI InChI=1S/C25H27NO/c1-2-24(20-8-4-3-5-9-20)25(22-14-16-23(27)17-15-22)21-12-10-19(11-13-21)7-6-18-26/h3-5,8-17,27H,2,6-7,18,26H2,1H3/b25-24-
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n/an/an/an/a 13n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50081468
PNG
(CHEMBL3422028)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C24H25NO3/c1-2-23(17-3-9-20(26)10-4-17)24(18-5-11-21(27)12-6-18)19-7-13-22(14-8-19)28-16-15-25/h3-14,26-27H,2,15-16,25H2,1H3/b24-23+
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n/an/an/an/a 15n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50081469
PNG
(CHEMBL3422045)
Show SMILES NCCOc1ccc(cc1)C(=C1/CCc2ccccc12)\c1ccc(O)cc1
Show InChI InChI=1S/C24H23NO2/c25-15-16-27-21-12-7-19(8-13-21)24(18-5-10-20(26)11-6-18)23-14-9-17-3-1-2-4-22(17)23/h1-8,10-13,26H,9,14-16,25H2/b24-23+
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n/an/an/an/a 3.18E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50081530
PNG
(CHEMBL3422050)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCCN)cc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c1-2-24(19-7-4-3-5-8-19)25(20-9-13-22(27)14-10-20)21-11-15-23(16-12-21)28-18-6-17-26/h3-5,7-16,27H,2,6,17-18,26H2,1H3/b25-24+
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n/an/an/an/a 35n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50081466
PNG
(CHEMBL3422030)
Show SMILES [#6]-[#6]\[#6](-[#6]-[#6])=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8]-[#6]-[#6]-[#7])cc1
Show InChI InChI=1S/C20H25NO2/c1-3-15(4-2)20(16-5-9-18(22)10-6-16)17-7-11-19(12-8-17)23-14-13-21/h5-12,22H,3-4,13-14,21H2,1-2H3
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n/an/an/an/a 202n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assay

J Med Chem 58: 2623-48 (2015)


Article DOI: 10.1021/jm501218e
BindingDB Entry DOI: 10.7270/Q2TX3H32
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%