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PubMed code 17764935

Compile data set for download or QSAR
Found 32 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
Androgen Receptor


(Homo sapiens (human))
BDBM25430
PNG
(4-(2-hydroxyphenyl)-2-(trifluoromethyl)benzonitril...)
Show SMILES Oc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H8F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h1-7,19H
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n/an/a 0.0200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220383
PNG
(4'-methoxy-3-trifluoromethyl-biphenyl-4-carbonitri...)
Show SMILES COc1ccc(cc1)-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NO/c1-20-13-6-4-10(5-7-13)11-2-3-12(9-19)14(8-11)15(16,17)18/h2-8H,1H3
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220379
PNG
(3,2'-bis-trifluoromethyl-biphenyl-4-carbonitrile |...)
Show SMILES FC(F)(F)c1cc(ccc1C#N)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H7F6N/c16-14(17,18)12-4-2-1-3-11(12)9-5-6-10(8-22)13(7-9)15(19,20)21/h1-7H
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n/an/a>1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220389
PNG
(2'-chloro-3-trifluoromethyl-biphenyl-4-carbonitril...)
Show SMILES FC(F)(F)c1cc(ccc1C#N)-c1ccccc1Cl
Show InChI InChI=1S/C14H7ClF3N/c15-13-4-2-1-3-11(13)9-5-6-10(8-19)12(7-9)14(16,17)18/h1-7H
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n/an/a 9.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from human recombinant AR expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220379
PNG
(3,2'-bis-trifluoromethyl-biphenyl-4-carbonitrile |...)
Show SMILES FC(F)(F)c1cc(ccc1C#N)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C15H7F6N/c16-14(17,18)12-4-2-1-3-11(12)9-5-6-10(8-22)13(7-9)15(19,20)21/h1-7H
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n/an/a 10.9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from human recombinant AR expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220385
PNG
(4'-hydroxy-3-trifluoromethyl-biphenyl-4-carbonitri...)
Show SMILES Oc1ccc(cc1)-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H8F3NO/c15-14(16,17)13-7-10(1-2-11(13)8-18)9-3-5-12(19)6-4-9/h1-7,19H
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n/an/a 11.9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220384
PNG
(2',6'-dimethoxy-3-trifluoromethyl-biphenyl-4-carbo...)
Show SMILES COc1cccc(OC)c1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO2/c1-21-13-4-3-5-14(22-2)15(13)10-6-7-11(9-20)12(8-10)16(17,18)19/h3-8H,1-2H3
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n/an/a 14.7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from human recombinant AR expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220376
PNG
(2'-methoxy-3-trifluoromethyl-biphenyl-4-carbonitri...)
Show SMILES COc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NO/c1-20-14-5-3-2-4-12(14)10-6-7-11(9-19)13(8-10)15(16,17)18/h2-8H,1H3
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n/an/a 20.1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220376
PNG
(2'-methoxy-3-trifluoromethyl-biphenyl-4-carbonitri...)
Show SMILES COc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NO/c1-20-14-5-3-2-4-12(14)10-6-7-11(9-19)13(8-10)15(16,17)18/h2-8H,1H3
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n/an/a 37n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from human recombinant AR expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM25430
PNG
(4-(2-hydroxyphenyl)-2-(trifluoromethyl)benzonitril...)
Show SMILES Oc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H8F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h1-7,19H
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n/an/a 39.9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from human recombinant AR expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220383
PNG
(4'-methoxy-3-trifluoromethyl-biphenyl-4-carbonitri...)
Show SMILES COc1ccc(cc1)-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NO/c1-20-13-6-4-10(5-7-13)11-2-3-12(9-19)14(8-11)15(16,17)18/h2-8H,1H3
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n/an/a 56.7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from human recombinant AR expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220385
PNG
(4'-hydroxy-3-trifluoromethyl-biphenyl-4-carbonitri...)
Show SMILES Oc1ccc(cc1)-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H8F3NO/c15-14(16,17)13-7-10(1-2-11(13)8-18)9-3-5-12(19)6-4-9/h1-7,19H
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n/an/a 61.2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from human recombinant AR expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220388
PNG
(3'-methoxy-3-trifluoromethyl-biphenyl-4-carbonitri...)
Show SMILES COc1cccc(c1)-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NO/c1-20-13-4-2-3-10(7-13)11-5-6-12(9-19)14(8-11)15(16,17)18/h2-8H,1H3
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n/an/a 140n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220375
PNG
(2'-methyl-3-trifluoromethyl-biphenyl-4-carbonitril...)
Show SMILES Cc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3N/c1-10-4-2-3-5-13(10)11-6-7-12(9-19)14(8-11)15(16,17)18/h2-8H,1H3
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n/an/a 146n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from human recombinant AR expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220382
PNG
(4'-methyl-3-trifluoromethyl-biphenyl-4-carbonitril...)
Show SMILES Cc1ccc(cc1)-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3N/c1-10-2-4-11(5-3-10)12-6-7-13(9-19)14(8-12)15(16,17)18/h2-8H,1H3
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n/an/a 200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from human recombinant AR expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220380
PNG
(3'-hydroxy-3-trifluoromethyl-biphenyl-4-carbonitri...)
Show SMILES Oc1cccc(c1)-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H8F3NO/c15-14(16,17)13-7-10(4-5-11(13)8-18)9-2-1-3-12(19)6-9/h1-7,19H
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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 recombinant AR expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220384
PNG
(2',6'-dimethoxy-3-trifluoromethyl-biphenyl-4-carbo...)
Show SMILES COc1cccc(OC)c1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO2/c1-21-13-4-3-5-14(22-2)15(13)10-6-7-11(9-20)12(8-10)16(17,18)19/h3-8H,1-2H3
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n/an/a 399n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220382
PNG
(4'-methyl-3-trifluoromethyl-biphenyl-4-carbonitril...)
Show SMILES Cc1ccc(cc1)-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3N/c1-10-2-4-11(5-3-10)12-6-7-13(9-19)14(8-12)15(16,17)18/h2-8H,1H3
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n/an/a 843n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human AR in MDA-MB453-MMTV-luci cells by functional assay


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220388
PNG
(3'-methoxy-3-trifluoromethyl-biphenyl-4-carbonitri...)
Show SMILES COc1cccc(c1)-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NO/c1-20-13-4-2-3-10(7-13)11-5-6-12(9-19)14(8-11)15(16,17)18/h2-8H,1H3
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n/an/a 955n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from human recombinant AR expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220377
PNG
(2',6'-dihydroxy-3-trifluoromethyl-biphenyl-4-carbo...)
Show SMILES Oc1cccc(O)c1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H8F3NO2/c15-14(16,17)10-6-8(4-5-9(10)7-18)13-11(19)2-1-3-12(13)20/h1-6,19-20H
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n/an/a 989n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from human recombinant AR expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220375
PNG
(2'-methyl-3-trifluoromethyl-biphenyl-4-carbonitril...)
Show SMILES Cc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3N/c1-10-4-2-3-5-13(10)11-6-7-12(9-19)14(8-11)15(16,17)18/h2-8H,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 AR in MDA-MB453-MMTV-luci cells by functional assay


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220381
PNG
((4'-cyano-3'-trifluoromethyl-biphenyl-2-yloxy)-ace...)
Show SMILES COC(=O)COc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H12F3NO3/c1-23-16(22)10-24-15-5-3-2-4-13(15)11-6-7-12(9-21)14(8-11)17(18,19)20/h2-8H,10H2,1H3
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n/an/a 1.31E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from human recombinant AR expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220387
PNG
(2'-(2-hydroxy-ethoxy)-3-trifluoromethyl-biphenyl-4...)
Show SMILES OCCOc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO2/c17-16(18,19)14-9-11(5-6-12(14)10-20)13-3-1-2-4-15(13)22-8-7-21/h1-6,9,21H,7-8H2
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n/an/a 1.54E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from human recombinant AR expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220386
PNG
(3'-methyl-3-trifluoromethyl-biphenyl-4-carbonitril...)
Show SMILES Cc1cccc(c1)-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3N/c1-10-3-2-4-11(7-10)12-5-6-13(9-19)14(8-12)15(16,17)18/h2-8H,1H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from human recombinant AR expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220391
PNG
(2'-(2-methoxy-ethoxy)-3-trifluoromethyl-biphenyl-4...)
Show SMILES COCCOc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C17H14F3NO2/c1-22-8-9-23-16-5-3-2-4-14(16)12-6-7-13(11-21)15(10-12)17(18,19)20/h2-7,10H,8-9H2,1H3
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n/an/a 2.23E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from human recombinant AR expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50220376
PNG
(2'-methoxy-3-trifluoromethyl-biphenyl-4-carbonitri...)
Show SMILES COc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NO/c1-20-14-5-3-2-4-12(14)10-6-7-11(9-19)13(8-10)15(16,17)18/h2-8H,1H3
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n/an/a 3.25E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human PR


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM25430
PNG
(4-(2-hydroxyphenyl)-2-(trifluoromethyl)benzonitril...)
Show SMILES Oc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H8F3NO/c15-14(16,17)12-7-9(5-6-10(12)8-18)11-3-1-2-4-13(11)19/h1-7,19H
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n/an/a 4.45E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human PR


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50220383
PNG
(4'-methoxy-3-trifluoromethyl-biphenyl-4-carbonitri...)
Show SMILES COc1ccc(cc1)-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NO/c1-20-13-6-4-10(5-7-13)11-2-3-12(9-19)14(8-11)15(16,17)18/h2-8H,1H3
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n/an/a 5.52E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human PR


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220390
PNG
(2'-[2-(2-methoxy-ethoxy)-ethoxy]-3-trifluoromethyl...)
Show SMILES COCCOCCOc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H18F3NO3/c1-24-8-9-25-10-11-26-18-5-3-2-4-16(18)14-6-7-15(13-23)17(12-14)19(20,21)22/h2-7,12H,8-11H2,1H3
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n/an/a 8.14E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]-DHT from human recombinant AR expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50220388
PNG
(3'-methoxy-3-trifluoromethyl-biphenyl-4-carbonitri...)
Show SMILES COc1cccc(c1)-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H10F3NO/c1-20-13-4-2-3-10(7-13)11-5-6-12(9-19)14(8-11)15(16,17)18/h2-8H,1H3
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n/an/a 9.46E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at human PR


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50220378
PNG
((4'-cyano-3'-trifluoromethyl-biphenyl-2-yloxy)-ace...)
Show SMILES OC(=O)COc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C16H10F3NO3/c17-16(18,19)13-7-10(5-6-11(13)8-20)12-3-1-2-4-14(12)23-9-15(21)22/h1-7H,9H2,(H,21,22)
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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 recombinant AR expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50220385
PNG
(4'-hydroxy-3-trifluoromethyl-biphenyl-4-carbonitri...)
Show SMILES Oc1ccc(cc1)-c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C14H8F3NO/c15-14(16,17)13-7-10(1-2-11(13)8-18)9-3-5-12(19)6-4-9/h1-7,19H
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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
Binding affinity at human PR


Bioorg Med Chem Lett 17: 5529-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.034
BindingDB Entry DOI: 10.7270/Q2CR5T3S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%