BindingDB logo
myBDB logout

BDBM25437 (trifluoromethyl)benzonitrile, 14::4-{[(1R,2S)-2-cyanocyclohexyl]oxy}-2-(trifluoromethyl)benzonitrile::CHEMBL399887

SMILES: FC(F)(F)c1cc(O[C@@H]2CCCC[C@H]2C#N)ccc1C#N

InChI Key: InChIKey=ARJGHPDXAXFKDW-SMDDNHRTSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 25437   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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
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
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 60n/an/an/an/a7.44



Pfizer Inc



Assay Description
The competitive radio-ligand binding analysis was performed on human AR extracts from transfected Sf9 cells in the presence or absence of differing c...


J Med Chem 51: 7010-4 (2008)


Article DOI: 10.1021/jm8009316
BindingDB Entry DOI: 10.7270/Q2Z31WZ1
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
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
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Pfizer Inc

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))
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
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
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Pfizer Inc

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