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BDBM50220383 4'-methoxy-3-trifluoromethyl-biphenyl-4-carbonitrile::CHEMBL235159

SMILES: COc1ccc(cc1)-c1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=STNCCUKDFSTRBR-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50220383   
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))
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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))
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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