Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50077946'   

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))	BDBM50077946 (5-{5-[4-Benzo[1,3]dioxol-5-yl-2-hydroxy-2-(4-metho...) Show SMILES COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cc(OC)c(OC)c(OCCCCC(O)=O)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C32H32O11/c1-37-22-10-8-21(9-11-22)32(36)23(29(31(35)43-32)20-7-12-24-25(17-20)42-18-41-24)14-19-15-26(38-2)30(39-3)27(16-19)40-13-5-4-6-28(33)34/h7-12,15-17,36H,4-6,13-14,18H2,1-3H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	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
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