Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50079418'   

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))	BDBM50079418 (3,3-Bis-(4-chloro-phenyl)-3-[2-(3,4-dimethoxy-phen...) Show SMILES COc1cc(C)nc(OC(C(O)=O)C(OCCc2ccc(OC)c(OC)c2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)n1 Show InChI InChI=1S/C31H30Cl2N2O7/c1-19-17-27(40-4)35-30(34-19)42-28(29(36)37)31(21-6-10-23(32)11-7-21,22-8-12-24(33)13-9-22)41-16-15-20-5-14-25(38-2)26(18-20)39-3/h5-14,17-18,28H,15-16H2,1-4H3,(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	230	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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