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PubMed code 21506597

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))
BDBM50345227
PNG
((R)-N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydrox...)
Show SMILES C[C@](O)(CS(=O)(=O)c1cccc2ccccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N2O4S/c1-21(29,13-32(30,31)19-8-4-6-14-5-2-3-7-17(14)19)20(28)27-16-10-9-15(12-26)18(11-16)22(23,24)25/h2-11,29H,13H2,1H3,(H,27,28)/t21-/m0/s1
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Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



The University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity to wild type androgen receptor by competitive binding assay


J Med Chem 54: 3973-6 (2011)


Article DOI: 10.1021/jm2000097
BindingDB Entry DOI: 10.7270/Q23F4PZC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50345229
PNG
((R)-3-(biphenyl-2-ylsulfonyl)-N-(4-cyano-3-(triflu...)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccccc1-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H19F3N2O4S/c1-23(31,22(30)29-18-12-11-17(14-28)20(13-18)24(25,26)27)15-34(32,33)21-10-6-5-9-19(21)16-7-3-2-4-8-16/h2-13,31H,15H2,1H3,(H,29,30)/t23-/m0/s1
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PubMed
2.00E+3n/an/an/an/an/an/an/an/a



The University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity to wild type androgen receptor by competitive binding assay


J Med Chem 54: 3973-6 (2011)


Article DOI: 10.1021/jm2000097
BindingDB Entry DOI: 10.7270/Q23F4PZC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50345228
PNG
((R)-3-(2-benzylphenylsulfonyl)-N-(4-cyano-3-(trifl...)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccccc1Cc1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N2O4S/c1-24(32,23(31)30-20-12-11-19(15-29)21(14-20)25(26,27)28)16-35(33,34)22-10-6-5-9-18(22)13-17-7-3-2-4-8-17/h2-12,14,32H,13,16H2,1H3,(H,30,31)/t24-/m0/s1
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PubMed
2.00E+3n/an/an/an/an/an/an/an/a



The University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity to wild type androgen receptor by competitive binding assay


J Med Chem 54: 3973-6 (2011)


Article DOI: 10.1021/jm2000097
BindingDB Entry DOI: 10.7270/Q23F4PZC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50345228
PNG
((R)-3-(2-benzylphenylsulfonyl)-N-(4-cyano-3-(trifl...)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccccc1Cc1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N2O4S/c1-24(32,23(31)30-20-12-11-19(15-29)21(14-20)25(26,27)28)16-35(33,34)22-10-6-5-9-18(22)13-17-7-3-2-4-8-17/h2-12,14,32H,13,16H2,1H3,(H,30,31)/t24-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



The University of Tennessee

Curated by ChEMBL


Assay Description
Antagonist activity at wild type androgen receptor expressed in african green monkey CV1 cells assessed as inhibition of dihydrotestosterone-induced ...


J Med Chem 54: 3973-6 (2011)


Article DOI: 10.1021/jm2000097
BindingDB Entry DOI: 10.7270/Q23F4PZC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50345229
PNG
((R)-3-(biphenyl-2-ylsulfonyl)-N-(4-cyano-3-(triflu...)
Show SMILES C[C@](O)(CS(=O)(=O)c1ccccc1-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H19F3N2O4S/c1-23(31,22(30)29-18-12-11-17(14-28)20(13-18)24(25,26)27)15-34(32,33)21-10-6-5-9-19(21)16-7-3-2-4-8-16/h2-13,31H,15H2,1H3,(H,29,30)/t23-/m0/s1
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PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



The University of Tennessee

Curated by ChEMBL


Assay Description
Antagonist activity at wild type androgen receptor expressed in african green monkey CV1 cells assessed as inhibition of dihydrotestosterone-induced ...


J Med Chem 54: 3973-6 (2011)


Article DOI: 10.1021/jm2000097
BindingDB Entry DOI: 10.7270/Q23F4PZC
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (human))
BDBM50345227
PNG
((R)-N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydrox...)
Show SMILES C[C@](O)(CS(=O)(=O)c1cccc2ccccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H17F3N2O4S/c1-21(29,13-32(30,31)19-8-4-6-14-5-2-3-7-17(14)19)20(28)27-16-10-9-15(12-26)18(11-16)22(23,24)25/h2-11,29H,13H2,1H3,(H,27,28)/t21-/m0/s1
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Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



The University of Tennessee

Curated by ChEMBL


Assay Description
Antagonist activity at wild type androgen receptor expressed in african green monkey CV1 cells assessed as inhibition of dihydrotestosterone-induced ...


J Med Chem 54: 3973-6 (2011)


Article DOI: 10.1021/jm2000097
BindingDB Entry DOI: 10.7270/Q23F4PZC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%