Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50077943'   

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))	BDBM50077943 (3-Benzo[1,3]dioxol-5-yl-4-[3-(3-dimethylamino-prop...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCN(C)C)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C32H35NO9/c1-33(2)13-6-14-39-28-17-20(16-27(37-4)30(28)38-5)15-24-29(21-7-12-25-26(18-21)41-19-40-25)31(34)42-32(24,35)22-8-10-23(36-3)11-9-22/h7-12,16-18,35H,6,13-15,19H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to recombinant human Endothelin A receptor.				J Med Chem 42: 2162-8 (1999) Article DOI: 10.1021/jm980504w BindingDB Entry DOI: 10.7270/Q2V12404
					More data for this Ligand-Target Pair