Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50290942'   

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)	BDBM50290942 (CHEMBL319743 | N-{2-Benzo[1,3]dioxol-5-yl-2-[3-(4-...) Show SMILES COc1ccc(cc1)C1=NN(C(C(=O)NS(=O)(=O)c2ccc(cc2)C(C)C)c2ccc3OCOc3c2)C(=O)CC1 |t:9| Show InChI InChI=1S/C29H29N3O7S/c1-18(2)19-6-11-23(12-7-19)40(35,36)31-29(34)28(21-8-14-25-26(16-21)39-17-38-25)32-27(33)15-13-24(30-32)20-4-9-22(37-3)10-5-20/h4-12,14,16,18,28H,13,15,17H2,1-3H3,(H,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2.90E+3	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