Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50068695'   

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)	BDBM50068695 (4'-(2,2-Dimethyl-propyl)-biphenyl-2-sulfonic acid ...) Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)(C)C)cc2)c1C Show InChI InChI=1S/C22H26N2O3S/c1-15-16(2)23-27-21(15)24-28(25,26)20-9-7-6-8-19(20)18-12-10-17(11-13-18)14-22(3,4)5/h6-13,24H,14H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	110	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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