BDBM50500183 CHEMBL3747503

SMILES: CCS(=O)(=O)NCc1cncc(c1)-c1cc2cnc(Cl)cc2n1C

InChI Key: InChIKey=XCNJEZSMUUVBPP-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 = 50500183   

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 11B2 (Homo sapiens (Human))	BDBM50500183 (CHEMBL3747503) Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1cc2cnc(Cl)cc2n1C Show InChI InChI=1S/C16H17ClN4O2S/c1-3-24(22,23)20-8-11-4-12(9-18-7-11)14-5-13-10-19-16(17)6-15(13)21(14)2/h4-7,9-10,20H,3,8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate after 2 hrs by scintillation proximity assay				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair
Cytochrome P450 11B2 (Homo sapiens (Human))	BDBM50500183 (CHEMBL3747503) Show SMILES CCS(=O)(=O)NCc1cncc(c1)-c1cc2cnc(Cl)cc2n1C Show InChI InChI=1S/C16H17ClN4O2S/c1-3-24(22,23)20-8-11-4-12(9-18-7-11)14-5-13-10-19-16(17)6-15(13)21(14)2/h4-7,9-10,20H,3,8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of CYP11B2 in human H285R cells assessed as decrease in [125I] angiotensin-2-induced aldosterone secretion after 24 hrs by RIA				J Med Chem 58: 9382-94 (2015) Article DOI: 10.1021/acs.jmedchem.5b01545 BindingDB Entry DOI: 10.7270/Q2CC13QV
					More data for this Ligand-Target Pair