Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50422254'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422254 (CHEMBL6785) Show SMILES CCN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)nc1OC Show InChI InChI=1S/C18H19BrN4O3S/c1-4-23(2)14-9-5-8-13-12(14)7-6-10-15(13)27(24,25)22-17-18(26-3)21-16(19)11-20-17/h5-11H,4H2,1-3H3,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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
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