Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50122683'   

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))	BDBM50122683 (4'-Oxazol-2-yl-2'-phenoxymethyl-biphenyl-2-sulfoni...) Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2COc2ccccc2)-c2ncco2)c1C Show InChI InChI=1S/C27H23N3O5S/c1-18-19(2)29-35-26(18)30-36(31,32)25-11-7-6-10-24(25)23-13-12-20(27-28-14-15-33-27)16-21(23)17-34-22-8-4-3-5-9-22/h3-16,30H,17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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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