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PubMed code 24157365

Compile data set for download or QSAR
Found 23 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
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50443329
PNG
(CHEMBL3086027)
Show SMILES Cc1cn(c(C)n1)-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1
Show InChI InChI=1S/C18H17F2N3O2S/c1-12-11-23(13(2)22-12)16-6-3-14(4-7-16)10-21-26(24,25)18-9-15(19)5-8-17(18)20/h3-9,11,21H,10H2,1-2H3
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 113n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50443331
PNG
(CHEMBL3086013)
Show SMILES Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C19H17N3O3S/c1-13-19(14(2)25-22-13)26(23,24)21-12-15-6-8-17(9-7-15)18-5-3-4-16(10-18)11-20/h3-10,21H,12H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50443330
PNG
(CHEMBL3086014)
Show SMILES COc1ccc(cc1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1)C#N
Show InChI InChI=1S/C20H19N3O4S/c1-13-20(14(2)27-23-13)28(24,25)22-12-15-4-7-17(8-5-15)18-10-16(11-21)6-9-19(18)26-3/h4-10,22H,12H2,1-3H3
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n/an/a 45n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50443328
PNG
(CHEMBL3086020)
Show SMILES Cc1nccn1-c1ccc(CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1
Show InChI InChI=1S/C20H23N3O2S/c1-14-11-15(2)20(16(3)12-14)26(24,25)22-13-18-5-7-19(8-6-18)23-10-9-21-17(23)4/h5-12,22H,13H2,1-4H3
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n/an/a 121n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50443327
PNG
(CHEMBL3086026)
Show SMILES Cc1nccn1-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-21-6-7-23(11)16-5-2-12(8-15(16)20)10-22-26(24,25)17-9-13(18)3-4-14(17)19/h2-9,22H,10H2,1H3
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n/an/a 168n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50443329
PNG
(CHEMBL3086027)
Show SMILES Cc1cn(c(C)n1)-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1
Show InChI InChI=1S/C18H17F2N3O2S/c1-12-11-23(13(2)22-12)16-6-3-14(4-7-16)10-21-26(24,25)18-9-15(19)5-8-17(18)20/h3-9,11,21H,10H2,1-2H3
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n/an/a 191n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50443342
PNG
(CHEMBL3086022)
Show SMILES Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C17H16ClN3O2S/c1-13-19-10-11-21(13)15-8-6-14(7-9-15)12-20-24(22,23)17-5-3-2-4-16(17)18/h2-11,20H,12H2,1H3
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n/an/a 342n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50417605
PNG
(CHEMBL1645393)
Show SMILES Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H18N2O3S/c1-13-18(14(2)23-20-13)24(21,22)19-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,19H,12H2,1-2H3
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n/an/a 356n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50443329
PNG
(CHEMBL3086027)
Show SMILES Cc1cn(c(C)n1)-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1
Show InChI InChI=1S/C18H17F2N3O2S/c1-12-11-23(13(2)22-12)16-6-3-14(4-7-16)10-21-26(24,25)18-9-15(19)5-8-17(18)20/h3-9,11,21H,10H2,1-2H3
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n/an/a 556n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor ligand binding domain expressed in human Huh7 cells after 16 hrs by luciferase reporter gene ...

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50443341
PNG
(CHEMBL3086012)
Show SMILES Cc1noc(C)c1S(=O)(=O)NCc1ccc(s1)-c1ccccc1
Show InChI InChI=1S/C16H16N2O3S2/c1-11-16(12(2)21-18-11)23(19,20)17-10-14-8-9-15(22-14)13-6-4-3-5-7-13/h3-9,17H,10H2,1-2H3
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n/an/a 609n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50443340
PNG
(CHEMBL3086025)
Show SMILES Cc1nccn1-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1
Show InChI InChI=1S/C17H15F2N3O2S/c1-12-20-8-9-22(12)15-5-2-13(3-6-15)11-21-25(23,24)17-10-14(18)4-7-16(17)19/h2-10,21H,11H2,1H3
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n/an/a 627n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50443339
PNG
(CHEMBL3086021)
Show SMILES Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccccc2C)cc1
Show InChI InChI=1S/C18H19N3O2S/c1-14-5-3-4-6-18(14)24(22,23)20-13-16-7-9-17(10-8-16)21-12-11-19-15(21)2/h3-12,20H,13H2,1-2H3
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n/an/a 1.21E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50443329
PNG
(CHEMBL3086027)
Show SMILES Cc1cn(c(C)n1)-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1
Show InChI InChI=1S/C18H17F2N3O2S/c1-12-11-23(13(2)22-12)16-6-3-14(4-7-16)10-21-26(24,25)18-9-15(19)5-8-17(18)20/h3-9,11,21H,10H2,1-2H3
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n/an/a 1.31E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor ligand binding domain expressed in human Huh7 cells after 16 hrs by luciferase reporter gene ...

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50443338
PNG
(CHEMBL3086016)
Show SMILES Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C19H21N3O5S2/c1-13-19(14(2)27-21-13)29(25,26)20-12-15-7-9-16(10-8-15)17-5-4-6-18(11-17)22-28(3,23)24/h4-11,20,22H,12H2,1-3H3
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n/an/a 1.39E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50443337
PNG
(CHEMBL3086017)
Show SMILES Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C17H17N3O3S/c1-12-17(13(2)23-20-12)24(21,22)19-10-14-5-7-15(8-6-14)16-4-3-9-18-11-16/h3-9,11,19H,10H2,1-2H3
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n/an/a 1.53E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50443336
PNG
(CHEMBL3086023)
Show SMILES Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccccc2F)cc1
Show InChI InChI=1S/C17H16FN3O2S/c1-13-19-10-11-21(13)15-8-6-14(7-9-15)12-20-24(22,23)17-5-3-2-4-16(17)18/h2-11,20H,12H2,1H3
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n/an/a 1.84E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50443335
PNG
(CHEMBL3086018)
Show SMILES Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)-c1cncc(c1)C#N
Show InChI InChI=1S/C18H16N4O3S/c1-12-18(13(2)25-22-12)26(23,24)21-10-14-3-5-16(6-4-14)17-7-15(8-19)9-20-11-17/h3-7,9,11,21H,10H2,1-2H3
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n/an/a 1.97E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50443334
PNG
(CHEMBL3086015)
Show SMILES Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C19H19N3O4S/c1-12-18(13(2)26-22-12)27(24,25)21-11-14-6-8-15(9-7-14)16-4-3-5-17(10-16)19(20)23/h3-10,21H,11H2,1-2H3,(H2,20,23)
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n/an/a 2.03E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50443333
PNG
(CHEMBL3086024)
Show SMILES Cc1nccn1-c1ccc(CNS(=O)(=O)c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C17H15F2N3O2S/c1-12-20-8-9-22(12)15-5-2-13(3-6-15)11-21-25(23,24)17-7-4-14(18)10-16(17)19/h2-10,21H,11H2,1H3
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n/an/a 2.09E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))		BDBM50443329
PNG
(CHEMBL3086027)
Show SMILES Cc1cn(c(C)n1)-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1
Show InChI InChI=1S/C18H17F2N3O2S/c1-12-11-23(13(2)22-12)16-6-3-14(4-7-16)10-21-26(24,25)18-9-15(19)5-8-17(18)20/h3-9,11,21H,10H2,1-2H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from GST-tagged human glucocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))		BDBM50443332
PNG
(CHEMBL3086019)
Show SMILES Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)-n1ccnc1C
Show InChI InChI=1S/C16H18N4O3S/c1-11-16(12(2)23-19-11)24(21,22)18-10-14-4-6-15(7-5-14)20-9-8-17-13(20)3/h4-9,18H,10H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))		BDBM50443329
PNG
(CHEMBL3086027)
Show SMILES Cc1cn(c(C)n1)-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1
Show InChI InChI=1S/C18H17F2N3O2S/c1-12-11-23(13(2)22-12)16-6-3-14(4-7-16)10-21-26(24,25)18-9-15(19)5-8-17(18)20/h3-9,11,21H,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>9.21E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]progesterone from human His-progesterone receptor B after 4 hrs by liquid scintillation counting

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM50443329
PNG
(CHEMBL3086027)
Show SMILES Cc1cn(c(C)n1)-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1
Show InChI InChI=1S/C18H17F2N3O2S/c1-12-11-23(13(2)22-12)16-6-3-14(4-7-16)10-21-26(24,25)18-9-15(19)5-8-17(18)20/h3-9,11,21H,10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor ligand binding domain expressed in human Huh7 cells after 16 hrs by luciferase reporter gene assay

Bioorg Med Chem Lett 23: 6239-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.099
BindingDB Entry DOI: 10.7270/Q2JQ12FV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%