Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50122687'   

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))	BDBM50122687 (4'-Oxazol-2-yl-2'-oxazol-2-ylmethyl-biphenyl-2-sul...) Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2Cc2ncco2)-c2ncco2)c1C Show InChI InChI=1S/C24H20N4O5S/c1-15-16(2)27-33-23(15)28-34(29,30)21-6-4-3-5-20(21)19-8-7-17(24-26-10-12-32-24)13-18(19)14-22-25-9-11-31-22/h3-13,28H,14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.75	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 Inhibitory activity against human endothelin A receptor expressed in CHO cells				J Med Chem 46: 125-37 (2002) Article DOI: 10.1021/jm020289q BindingDB Entry DOI: 10.7270/Q2348M3R
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