Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50079437'   

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))	BDBM50079437 (3,3-Bis-(4-chloro-phenyl)-3-[2-(3,4-dimethoxy-phen...) Show SMILES COc1ccc(CCOC(C(Oc2nc3CCCc3c(OC)n2)C(O)=O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1OC Show InChI InChI=1S/C33H32Cl2N2O7/c1-40-27-16-7-20(19-28(27)41-2)17-18-43-33(21-8-12-23(34)13-9-21,22-10-14-24(35)15-11-22)29(31(38)39)44-32-36-26-6-4-5-25(26)30(37-32)42-3/h7-16,19,29H,4-6,17-18H2,1-3H3,(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF AG Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 (ETA assay) binding to human cloned Endothelin A receptor in CHO cells				J Med Chem 42: 3026-32 (1999) Article DOI: 10.1021/jm9910425 BindingDB Entry DOI: 10.7270/Q2HD7TV6
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