BDBM50257272 CHEMBL4095883

SMILES: Cn1c(ccc1-c1ccc(O)cc1F)C#N

InChI Key: InChIKey=WVKAVGHFAICIIO-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50257272   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Androgen Receptor (Homo sapiens (Human))	BDBM50257272 (CHEMBL4095883) Show SMILES Cn1c(ccc1-c1ccc(O)cc1F)C#N Show InChI InChI=1S/C12H9FN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	0.340	n/a	n/a	n/a	n/a
Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...				J Med Chem 60: 6451-6457 (2017) Article DOI: 10.1021/acs.jmedchem.7b00373 BindingDB Entry DOI: 10.7270/Q2HH6NH9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor/Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50257272 (CHEMBL4095883) Show SMILES Cn1c(ccc1-c1ccc(O)cc1F)C#N Show InChI InChI=1S/C12H9FN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Displacement of [3H]mibolerone from human androgen receptor expressed in African green monkey COS cells after 3.5 hrs by scintillation and luminescen...				J Med Chem 60: 6451-6457 (2017) Article DOI: 10.1021/acs.jmedchem.7b00373 BindingDB Entry DOI: 10.7270/Q2HH6NH9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor/Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50257272 (CHEMBL4095883) Show SMILES Cn1c(ccc1-c1ccc(O)cc1F)C#N Show InChI InChI=1S/C12H9FN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a
Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Androgenic activity at human androgen receptor expressed in African green monkey CV-1 cells assessed as increase in interaction between VP16-fused AR...				J Med Chem 60: 6451-6457 (2017) Article DOI: 10.1021/acs.jmedchem.7b00373 BindingDB Entry DOI: 10.7270/Q2HH6NH9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50257272 (CHEMBL4095883) Show SMILES Cn1c(ccc1-c1ccc(O)cc1F)C#N Show InChI InChI=1S/C12H9FN2O/c1-15-8(7-14)2-5-12(15)10-4-3-9(16)6-11(10)13/h2-6,16H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Worldwide Research& Development , 610 Main Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Inhibition of dofetilide binding to human ERG				J Med Chem 60: 6451-6457 (2017) Article DOI: 10.1021/acs.jmedchem.7b00373 BindingDB Entry DOI: 10.7270/Q2HH6NH9
					More data for this Ligand-Target Pair