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Compile Data Set for Download or QSAR

Found 49 hits Enz. Inhib. hit(s) with all data for entry = 50028463   
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
Androgen receptor


(Homo sapiens (Human))
BDBM50278401
PNG
(4-(2,6-dimethylphenoxy)-2-(trifluoromethyl)benzoni...)
Show SMILES Cc1cccc(C)c1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO/c1-10-4-3-5-11(2)15(10)21-13-7-6-12(9-20)14(8-13)16(17,18)19/h3-8H,1-2H3
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PubMed
n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM25428
PNG
(4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidaz...)
Show SMILES CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H18F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278353
PNG
(4-(2-ethylphenoxy)-2-(trifluoromethyl)benzonitrile...)
Show SMILES CCc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO/c1-2-11-5-3-4-6-15(11)21-13-8-7-12(10-20)14(9-13)16(17,18)19/h3-9H,2H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278404
PNG
(4-(2-(methylthio)phenoxy)-2-(trifluoromethyl)benzo...)
Show SMILES CSc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NOS/c1-21-14-5-3-2-4-13(14)20-11-7-6-10(9-19)12(8-11)15(16,17)18/h2-8H,1H3
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n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278226
PNG
(2-chloro-4-(o-tolyloxy)benzonitrile | CHEMBL470204)
Show SMILES Cc1ccccc1Oc1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C14H10ClNO/c1-10-4-2-3-5-14(10)17-12-7-6-11(9-16)13(15)8-12/h2-8H,1H3
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n/an/a 30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM25428
PNG
(4-[3-(4-hydroxybutyl)-4,4-dimethyl-2,5-dioxoimidaz...)
Show SMILES CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H18F3N3O3/c1-16(2)14(25)23(15(26)22(16)7-3-4-8-24)12-6-5-11(10-21)13(9-12)17(18,19)20/h5-6,9,24H,3-4,7-8H2,1-2H3
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n/an/a 32n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278403
PNG
(4-(2-hydroxyphenoxy)-2-(trifluoromethyl)benzonitri...)
Show SMILES Oc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H8F3NO2/c15-14(16,17)11-7-10(6-5-9(11)8-18)20-13-4-2-1-3-12(13)19/h1-7,19H
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n/an/a 34n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278498
PNG
(4-(2-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)b...)
Show SMILES COc1cccc(F)c1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H9F4NO2/c1-21-13-4-2-3-12(16)14(13)22-10-6-5-9(8-20)11(7-10)15(17,18)19/h2-7H,1H3
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n/an/a 42n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50248505
PNG
(3-chloro-4-(o-tolyloxy)benzonitrile | CHEMBL490955)
Show SMILES Cc1ccccc1Oc1ccc(cc1Cl)C#N
Show InChI InChI=1S/C14H10ClNO/c1-10-4-2-3-5-13(10)17-14-7-6-11(9-16)8-12(14)15/h2-8H,1H3
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n/an/a 46n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278405
PNG
(4-(2-ethoxyphenoxy)-2-(trifluoromethyl)benzonitril...)
Show SMILES CCOc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO2/c1-2-21-14-5-3-4-6-15(14)22-12-8-7-11(10-20)13(9-12)16(17,18)19/h3-9H,2H2,1H3
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n/an/a 47n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278226
PNG
(2-chloro-4-(o-tolyloxy)benzonitrile | CHEMBL470204)
Show SMILES Cc1ccccc1Oc1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C14H10ClNO/c1-10-4-2-3-5-14(10)17-12-7-6-11(9-16)13(15)8-12/h2-8H,1H3
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n/an/a 57n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50248505
PNG
(3-chloro-4-(o-tolyloxy)benzonitrile | CHEMBL490955)
Show SMILES Cc1ccccc1Oc1ccc(cc1Cl)C#N
Show InChI InChI=1S/C14H10ClNO/c1-10-4-2-3-5-13(10)17-14-7-6-11(9-16)8-12(14)15/h2-8H,1H3
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n/an/a 64n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278451
PNG
(4-(2-methoxy-4-methylphenoxy)-2-(trifluoromethyl)b...)
Show SMILES COc1cc(C)ccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO2/c1-10-3-6-14(15(7-10)21-2)22-12-5-4-11(9-20)13(8-12)16(17,18)19/h3-8H,1-2H3
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PubMed
n/an/a 69n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278285
PNG
(4-(2-methoxyphenoxy)-2-(trifluoromethyl)benzonitri...)
Show SMILES COc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NO2/c1-20-13-4-2-3-5-14(13)21-11-7-6-10(9-19)12(8-11)15(16,17)18/h2-8H,1H3
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n/an/a 72n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278404
PNG
(4-(2-(methylthio)phenoxy)-2-(trifluoromethyl)benzo...)
Show SMILES CSc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NOS/c1-21-14-5-3-2-4-13(14)20-11-7-6-10(9-19)12(8-11)15(16,17)18/h2-8H,1H3
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n/an/a 74n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278285
PNG
(4-(2-methoxyphenoxy)-2-(trifluoromethyl)benzonitri...)
Show SMILES COc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NO2/c1-20-13-4-2-3-5-14(13)21-11-7-6-10(9-19)12(8-11)15(16,17)18/h2-8H,1H3
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n/an/a 83n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50248552
PNG
(4-(o-tolyloxy)-2-(trifluoromethyl)benzonitrile | C...)
Show SMILES Cc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NO/c1-10-4-2-3-5-14(10)20-12-7-6-11(9-19)13(8-12)15(16,17)18/h2-8H,1H3
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n/an/a 92n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278403
PNG
(4-(2-hydroxyphenoxy)-2-(trifluoromethyl)benzonitri...)
Show SMILES Oc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H8F3NO2/c15-14(16,17)11-7-10(6-5-9(11)8-18)20-13-4-2-1-3-12(13)19/h1-7,19H
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n/an/a 97n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278452
PNG
(4-(2-methoxy-5-methylphenoxy)-2-(trifluoromethyl)b...)
Show SMILES COc1ccc(C)cc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO2/c1-10-3-6-14(21-2)15(7-10)22-12-5-4-11(9-20)13(8-12)16(17,18)19/h3-8H,1-2H3
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n/an/a 103n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278405
PNG
(4-(2-ethoxyphenoxy)-2-(trifluoromethyl)benzonitril...)
Show SMILES CCOc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO2/c1-2-21-14-5-3-4-6-15(14)22-12-8-7-11(10-20)13(9-12)16(17,18)19/h3-9H,2H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278282
PNG
(4-(2-chlorophenoxy)-2-(trifluoromethyl)benzonitril...)
Show SMILES FC(F)(F)c1cc(Oc2ccccc2Cl)ccc1C#N
Show InChI InChI=1S/C14H7ClF3NO/c15-12-3-1-2-4-13(12)20-10-6-5-9(8-19)11(7-10)14(16,17)18/h1-7H
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n/an/a 123n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278497
PNG
(4-(2-hydroxy-5-methylphenoxy)-2-(trifluoromethyl)b...)
Show SMILES Cc1ccc(O)c(Oc2ccc(C#N)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C15H10F3NO2/c1-9-2-5-13(20)14(6-9)21-11-4-3-10(8-19)12(7-11)15(16,17)18/h2-7,20H,1H3
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n/an/a 127n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278450
PNG
(4-(2,6-dimethoxyphenoxy)-2-(trifluoromethyl)benzon...)
Show SMILES COc1cccc(OC)c1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO3/c1-21-13-4-3-5-14(22-2)15(13)23-11-7-6-10(9-20)12(8-11)16(17,18)19/h3-8H,1-2H3
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n/an/a 157n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278498
PNG
(4-(2-fluoro-6-methoxyphenoxy)-2-(trifluoromethyl)b...)
Show SMILES COc1cccc(F)c1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H9F4NO2/c1-21-13-4-2-3-12(16)14(13)22-10-6-5-9(8-20)11(7-10)15(17,18)19/h2-7H,1H3
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n/an/a 158n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278402
PNG
(4-(mesityloxy)-2-(trifluoromethyl)benzonitrile | C...)
Show SMILES Cc1cc(C)c(Oc2ccc(C#N)c(c2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C17H14F3NO/c1-10-6-11(2)16(12(3)7-10)22-14-5-4-13(9-21)15(8-14)17(18,19)20/h4-8H,1-3H3
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n/an/a 198n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278354
PNG
(4-(2-propylphenoxy)-2-(trifluoromethyl)benzonitril...)
Show SMILES CCCc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO/c1-2-5-12-6-3-4-7-16(12)22-14-9-8-13(11-21)15(10-14)17(18,19)20/h3-4,6-10H,2,5H2,1H3
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n/an/a 202n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278453
PNG
(4-(5-(hydroxymethyl)-2-methoxyphenoxy)-2-(trifluor...)
Show SMILES COc1ccc(CO)cc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO3/c1-22-14-5-2-10(9-21)6-15(14)23-12-4-3-11(8-20)13(7-12)16(17,18)19/h2-7,21H,9H2,1H3
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n/an/a 216n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278406
PNG
(4-(2-(ethylthio)phenoxy)-2-(trifluoromethyl)benzon...)
Show SMILES CCSc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NOS/c1-2-22-15-6-4-3-5-14(15)21-12-8-7-11(10-20)13(9-12)16(17,18)19/h3-9H,2H2,1H3
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n/an/a 229n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278454
PNG
(4-(2-ethoxy-4-methylphenoxy)-2-(trifluoromethyl)be...)
Show SMILES CCOc1cc(C)ccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO2/c1-3-22-16-8-11(2)4-7-15(16)23-13-6-5-12(10-21)14(9-13)17(18,19)20/h4-9H,3H2,1-2H3
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n/an/a 257n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278451
PNG
(4-(2-methoxy-4-methylphenoxy)-2-(trifluoromethyl)b...)
Show SMILES COc1cc(C)ccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO2/c1-10-3-6-14(15(7-10)21-2)22-12-5-4-11(9-20)13(8-12)16(17,18)19/h3-8H,1-2H3
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n/an/a 299n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278354
PNG
(4-(2-propylphenoxy)-2-(trifluoromethyl)benzonitril...)
Show SMILES CCCc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO/c1-2-5-12-6-3-4-7-16(12)22-14-9-8-13(11-21)15(10-14)17(18,19)20/h3-4,6-10H,2,5H2,1H3
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n/an/a 303n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278455
PNG
(4-(2-hydroxy-4-methylphenoxy)-2-(trifluoromethyl)b...)
Show SMILES Cc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)c(O)c1
Show InChI InChI=1S/C15H10F3NO2/c1-9-2-5-14(13(20)6-9)21-11-4-3-10(8-19)12(7-11)15(16,17)18/h2-7,20H,1H3
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n/an/a 354n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278353
PNG
(4-(2-ethylphenoxy)-2-(trifluoromethyl)benzonitrile...)
Show SMILES CCc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO/c1-2-11-5-3-4-6-15(11)21-13-8-7-12(10-20)14(9-13)16(17,18)19/h3-9H,2H2,1H3
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n/an/a 356n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278355
PNG
(4-(biphenyl-2-yloxy)-2-(trifluoromethyl)benzonitri...)
Show SMILES FC(F)(F)c1cc(Oc2ccccc2-c2ccccc2)ccc1C#N
Show InChI InChI=1S/C20H12F3NO/c21-20(22,23)18-12-16(11-10-15(18)13-24)25-19-9-5-4-8-17(19)14-6-2-1-3-7-14/h1-12H
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n/an/a 430n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278452
PNG
(4-(2-methoxy-5-methylphenoxy)-2-(trifluoromethyl)b...)
Show SMILES COc1ccc(C)cc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO2/c1-10-3-6-14(21-2)15(7-10)22-12-5-4-11(9-20)13(8-12)16(17,18)19/h3-8H,1-2H3
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n/an/a 482n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278406
PNG
(4-(2-(ethylthio)phenoxy)-2-(trifluoromethyl)benzon...)
Show SMILES CCSc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NOS/c1-2-22-15-6-4-3-5-14(15)21-12-8-7-11(10-20)13(9-12)16(17,18)19/h3-9H,2H2,1H3
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n/an/a 545n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278401
PNG
(4-(2,6-dimethylphenoxy)-2-(trifluoromethyl)benzoni...)
Show SMILES Cc1cccc(C)c1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO/c1-10-4-3-5-11(2)15(10)21-13-7-6-12(9-20)14(8-13)16(17,18)19/h3-8H,1-2H3
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n/an/a 681n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50248552
PNG
(4-(o-tolyloxy)-2-(trifluoromethyl)benzonitrile | C...)
Show SMILES Cc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NO/c1-10-4-2-3-5-14(10)20-12-7-6-11(9-19)13(8-12)15(16,17)18/h2-8H,1H3
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n/an/a 743n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50248553
PNG
(4-(m-tolyloxy)-2-(trifluoromethyl)benzonitrile | C...)
Show SMILES Cc1cccc(Oc2ccc(C#N)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C15H10F3NO/c1-10-3-2-4-12(7-10)20-13-6-5-11(9-19)14(8-13)15(16,17)18/h2-8H,1H3
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n/an/a 770n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278497
PNG
(4-(2-hydroxy-5-methylphenoxy)-2-(trifluoromethyl)b...)
Show SMILES Cc1ccc(O)c(Oc2ccc(C#N)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C15H10F3NO2/c1-9-2-5-13(20)14(6-9)21-11-4-3-10(8-19)12(7-11)15(16,17)18/h2-7,20H,1H3
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n/an/a 811n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278402
PNG
(4-(mesityloxy)-2-(trifluoromethyl)benzonitrile | C...)
Show SMILES Cc1cc(C)c(Oc2ccc(C#N)c(c2)C(F)(F)F)c(C)c1
Show InChI InChI=1S/C17H14F3NO/c1-10-6-11(2)16(12(3)7-10)22-14-5-4-13(9-21)15(8-14)17(18,19)20/h4-8H,1-3H3
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n/an/a 812n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278450
PNG
(4-(2,6-dimethoxyphenoxy)-2-(trifluoromethyl)benzon...)
Show SMILES COc1cccc(OC)c1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO3/c1-21-13-4-3-5-14(22-2)15(13)23-11-7-6-10(9-20)12(8-11)16(17,18)19/h3-8H,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278453
PNG
(4-(5-(hydroxymethyl)-2-methoxyphenoxy)-2-(trifluor...)
Show SMILES COc1ccc(CO)cc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO3/c1-22-14-5-2-10(9-21)6-15(14)23-12-4-3-11(8-20)13(7-12)16(17,18)19/h2-7,21H,9H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human androgen receptor expressed in human MDA-MB-231 cells assessed as inhibition of DHT-induced response


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278356
PNG
(4-(2-isopropylphenoxy)-2-(trifluoromethyl)benzonit...)
Show SMILES CC(C)c1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO/c1-11(2)14-5-3-4-6-16(14)22-13-8-7-12(10-21)15(9-13)17(18,19)20/h3-9,11H,1-2H3
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n/an/a 2.28E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278283
PNG
(4-(3-chlorophenoxy)-2-(trifluoromethyl)benzonitril...)
Show SMILES FC(F)(F)c1cc(Oc2cccc(Cl)c2)ccc1C#N
Show InChI InChI=1S/C14H7ClF3NO/c15-10-2-1-3-11(6-10)20-12-5-4-9(8-19)13(7-12)14(16,17)18/h1-7H
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n/an/a 2.72E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50248554
PNG
(4-(p-tolyloxy)-2-(trifluoromethyl)benzonitrile | C...)
Show SMILES Cc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C15H10F3NO/c1-10-2-5-12(6-3-10)20-13-7-4-11(9-19)14(8-13)15(16,17)18/h2-8H,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278284
PNG
(4-(4-chlorophenoxy)-2-(trifluoromethyl)benzonitril...)
Show SMILES FC(F)(F)c1cc(Oc2ccc(Cl)cc2)ccc1C#N
Show InChI InChI=1S/C14H7ClF3NO/c15-10-2-5-11(6-3-10)20-12-4-1-9(8-19)13(7-12)14(16,17)18/h1-7H
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n/an/a 6.65E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278352
PNG
(4-(4-methoxyphenoxy)-2-(trifluoromethyl)benzonitri...)
Show SMILES COc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C15H10F3NO2/c1-20-11-4-6-12(7-5-11)21-13-3-2-10(9-19)14(8-13)15(16,17)18/h2-8H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50278351
PNG
(4-(3-methoxyphenoxy)-2-(trifluoromethyl)benzonitri...)
Show SMILES COc1cccc(Oc2ccc(C#N)c(c2)C(F)(F)F)c1
Show InChI InChI=1S/C15H10F3NO2/c1-20-11-3-2-4-12(7-11)21-13-6-5-10(9-19)14(8-13)15(16,17)18/h2-8H,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human cloned androgen receptor expressed in insect Sf9 cell system


Bioorg Med Chem Lett 19: 2176-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.104
BindingDB Entry DOI: 10.7270/Q27P8Z8W
More data for this
Ligand-Target Pair