Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50068701'   

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 (RAT)	BDBM50068701 (4'-Methyl-biphenyl-2-sulfonic acid (3,4-dimethyl-i...) Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(C)cc2)c1C Show InChI InChI=1S/C18H18N2O3S/c1-12-8-10-15(11-9-12)16-6-4-5-7-17(16)24(21,22)20-18-13(2)14(3)19-23-18/h4-11,20H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	55	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 Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor				J Med Chem 41: 5198-218 (1999) Article DOI: 10.1021/jm970872k BindingDB Entry DOI: 10.7270/Q2J9672R
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