Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50069571'   

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))	BDBM50069571 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,2,5]thiadiazol-5...) Show SMILES COc1cc2c(c(C(O)=O)n(Cc3ccc4nsnc4c3)c2cc1OC)-c1ccc2OCOc2c1 Show InChI InChI=1S/C25H19N3O6S/c1-31-20-9-15-18(10-21(20)32-2)28(11-13-3-5-16-17(7-13)27-35-26-16)24(25(29)30)23(15)14-4-6-19-22(8-14)34-12-33-19/h3-10H,11-12H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Potency of the compound at Endothelin A receptor was determined				J Med Chem 46: 3257-74 (2003) Article DOI: 10.1021/jm0300429 BindingDB Entry DOI: 10.7270/Q2W37VQ4
					More data for this Ligand-Target Pair
Endothelin-1 receptor (RAT)	BDBM50069571 (3-Benzo[1,3]dioxol-5-yl-1-benzo[1,2,5]thiadiazol-5...) Show SMILES COc1cc2c(c(C(O)=O)n(Cc3ccc4nsnc4c3)c2cc1OC)-c1ccc2OCOc2c1 Show InChI InChI=1S/C25H19N3O6S/c1-31-20-9-15-18(10-21(20)32-2)28(11-13-3-5-16-17(7-13)27-35-26-16)24(25(29)30)23(15)14-4-6-19-22(8-14)34-12-33-19/h3-10H,11-12H2,1-2H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to rat aorta membrane Endothelin A receptor				Bioorg Med Chem Lett 8: 17-22 (1999) BindingDB Entry DOI: 10.7270/Q23B5Z9H
					More data for this Ligand-Target Pair