Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50077936'   

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))	BDBM50077936 (4-{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(OCCCC(O)=O)c1)c1ccc2OCOc2c1 |c:14| Show InChI InChI=1S/C31H30O11/c1-36-21-9-7-20(8-10-21)31(35)22(28(30(34)42-31)19-6-11-23-24(16-19)41-17-40-23)13-18-14-25(37-2)29(38-3)26(15-18)39-12-4-5-27(32)33/h6-11,14-16,35H,4-5,12-13,17H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.290	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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