Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50091108'   

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))	BDBM50091108 (4'-(4-Methyl-oxazol-2-yl)-biphenyl-2-sulfonic acid...) Show SMILES Cc1coc(n1)-c1ccc(cc1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C21H19N3O4S/c1-13-12-27-21(22-13)17-10-8-16(9-11-17)18-6-4-5-7-19(18)29(25,26)24-20-14(2)15(3)23-28-20/h4-12,24H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of Human Endothelin A receptor expressed in CHO Cells.				J Med Chem 43: 3111-7 (2000) BindingDB Entry DOI: 10.7270/Q2DF6QFM
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