Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50290955'   

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)	BDBM50290955 (CHEMBL96662 | N-[2-Benzo[1,3]dioxol-5-yl-2-(3-meth...) Show SMILES Cc1ccc(=O)n(n1)C(C(=O)NS(=O)(=O)c1ccc(Br)cc1)c1ccc2OCOc2c1 Show InChI InChI=1S/C20H16BrN3O6S/c1-12-2-9-18(25)24(22-12)19(13-3-8-16-17(10-13)30-11-29-16)20(26)23-31(27,28)15-6-4-14(21)5-7-15/h2-10,19H,11H2,1H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of specific binding of [125I]-ET-1 (endothelin 1) to the endothelin A receptor of rat aorta membranes				Bioorg Med Chem Lett 7: 275-280 (1997) Article DOI: 10.1016/S0960-894X(96)00617-8 BindingDB Entry DOI: 10.7270/Q2QF8SWT
					More data for this Ligand-Target Pair