BDBM50422234 CHEMBL6412

SMILES: COc1nc(Cl)cnc1NS(=O)(=O)c1cccc2c(cccc12)N(C)C

InChI Key: InChIKey=ZEICTPGVQAZONR-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50422234   

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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422234 (CHEMBL6412) Show SMILES COc1nc(Cl)cnc1NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C17H17ClN4O3S/c1-22(2)13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)21-16-17(25-3)20-15(18)10-19-16/h4-10H,1-3H3,(H,19,21)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair