BDBM50257275 CHEMBL4065842

SMILES: Cc1cc(ccc1O)-c1ccc(C#N)n1C

InChI Key: InChIKey=SFJPUGWMYSECAM-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

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 = 50257275   

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))	BDBM50257275 (CHEMBL4065842) Show SMILES Cc1cc(ccc1O)-c1ccc(C#N)n1C Show InChI InChI=1S/C13H12N2O/c1-9-7-10(3-6-13(9)16)12-5-4-11(8-14)15(12)2/h3-7,16H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	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
Androgen receptor/Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50257275 (CHEMBL4065842) Show SMILES Cc1cc(ccc1O)-c1ccc(C#N)n1C Show InChI InChI=1S/C13H12N2O/c1-9-7-10(3-6-13(9)16)12-5-4-11(8-14)15(12)2/h3-7,16H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.54E+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
Androgen receptor/Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM50257275 (CHEMBL4065842) Show SMILES Cc1cc(ccc1O)-c1ccc(C#N)n1C Show InChI InChI=1S/C13H12N2O/c1-9-7-10(3-6-13(9)16)12-5-4-11(8-14)15(12)2/h3-7,16H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	37	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 Agonist activity at human androgen receptor expressed in African green monkey CV-1 cells after 17 hrs by ARE luciferase reporter gene assay				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