BDBM50275508 CHEMBL4126275

SMILES: CCn1ncc(c1C)-c1ccc(cc1)C#N

InChI Key: InChIKey=HSTKHUGDPKSLCK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50275508   

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
Cytochrome P450 11B1 (Homo sapiens (Human))	BDBM50275508 (CHEMBL4126275) Show SMILES CCn1ncc(c1C)-c1ccc(cc1)C#N Show InChI InChI=1S/C13H13N3/c1-3-16-10(2)13(9-15-16)12-6-4-11(8-14)5-7-12/h4-7,9H,3H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...				J Med Chem 61: 5594-5608 (2018) Article DOI: 10.1021/acs.jmedchem.8b00328 BindingDB Entry DOI: 10.7270/Q2F47RN9
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (Homo sapiens (Human))	BDBM50275508 (CHEMBL4126275) Show SMILES CCn1ncc(c1C)-c1ccc(cc1)C#N Show InChI InChI=1S/C13H13N3/c1-3-16-10(2)13(9-15-16)12-6-4-11(8-14)5-7-12/h4-7,9H,3H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...				J Med Chem 61: 5594-5608 (2018) Article DOI: 10.1021/acs.jmedchem.8b00328 BindingDB Entry DOI: 10.7270/Q2F47RN9
					More data for this Ligand-Target Pair