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PubMed code 17827000

Compile data set for download or QSAR
Found 6 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))
BDBM25437
PNG
((trifluoromethyl)benzonitrile, 14 | 4-{[(1R,2S)-2-...)
Show SMILES FC(F)(F)c1cc(O[C@@H]2CCCC[C@H]2C#N)ccc1C#N |r|
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-7-12(6-5-10(13)8-19)21-14-4-2-1-3-11(14)9-20/h5-7,11,14H,1-4H2/t11-,14+/m0/s1
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Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in MDA-MB-453 cells assessed as inhibition of dihydrotestosterone-induced response in reporter gen...


Bioorg Med Chem Lett 17: 5983-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.075
BindingDB Entry DOI: 10.7270/Q27W6BWT
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50221436
PNG
(4-(2-cyano-cyclohexyl-oxy)-2-trifluoromethyl-benzo...)
Show SMILES FC(F)(F)c1cc(OC2CCCCC2C#N)ccc1C#N |w:13.14,8.7|
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-7-12(6-5-10(13)8-19)21-14-4-2-1-3-11(14)9-20/h5-7,11,14H,1-4H2
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Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in MDA-MB-453 cells assessed as inhibition of dihydrotestosterone-induced response in reporter gen...


Bioorg Med Chem Lett 17: 5983-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.075
BindingDB Entry DOI: 10.7270/Q27W6BWT
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50221435
PNG
(4-((trans)-2-cyanocyclohexyloxy)-2-(trifluoromethy...)
Show SMILES FC(F)(F)c1cc(O[C@H]2CCCC[C@@H]2C#N)ccc1C#N
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-7-12(6-5-10(13)8-19)21-14-4-2-1-3-11(14)9-20/h5-7,11,14H,1-4H2/t11-,14+/m1/s1
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Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from androgen receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5983-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.075
BindingDB Entry DOI: 10.7270/Q27W6BWT
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50221436
PNG
(4-(2-cyano-cyclohexyl-oxy)-2-trifluoromethyl-benzo...)
Show SMILES FC(F)(F)c1cc(OC2CCCCC2C#N)ccc1C#N |w:13.14,8.7|
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-7-12(6-5-10(13)8-19)21-14-4-2-1-3-11(14)9-20/h5-7,11,14H,1-4H2
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Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from androgen receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5983-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.075
BindingDB Entry DOI: 10.7270/Q27W6BWT
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM25437
PNG
((trifluoromethyl)benzonitrile, 14 | 4-{[(1R,2S)-2-...)
Show SMILES FC(F)(F)c1cc(O[C@@H]2CCCC[C@H]2C#N)ccc1C#N |r|
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-7-12(6-5-10(13)8-19)21-14-4-2-1-3-11(14)9-20/h5-7,11,14H,1-4H2/t11-,14+/m0/s1
PDB
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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from androgen receptor expressed in Sf9 cells


Bioorg Med Chem Lett 17: 5983-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.075
BindingDB Entry DOI: 10.7270/Q27W6BWT
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50221435
PNG
(4-((trans)-2-cyanocyclohexyloxy)-2-(trifluoromethy...)
Show SMILES FC(F)(F)c1cc(O[C@H]2CCCC[C@@H]2C#N)ccc1C#N
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)13-7-12(6-5-10(13)8-19)21-14-4-2-1-3-11(14)9-20/h5-7,11,14H,1-4H2/t11-,14+/m1/s1
PDB
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Article
PubMed
n/an/a 196n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at androgen receptor expressed in MDA-MB-453 cells assessed as inhibition of dihydrotestosterone-induced response in reporter gen...


Bioorg Med Chem Lett 17: 5983-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.075
BindingDB Entry DOI: 10.7270/Q27W6BWT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%