Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50290940'   

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)	BDBM50290940 (CHEMBL94929 | N-[2-Benzo[1,3]dioxol-5-yl-2-(3,5-di...) Show SMILES Cc1cc(C)c(=O)n(n1)C(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C25H27N3O6S/c1-15-12-16(2)26-28(24(15)30)22(17-6-11-20-21(13-17)34-14-33-20)23(29)27-35(31,32)19-9-7-18(8-10-19)25(3,4)5/h6-13,22H,14H2,1-5H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	18	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
Endothelin-1 receptor (RAT)	BDBM50290940 (CHEMBL94929 | N-[2-Benzo[1,3]dioxol-5-yl-2-(3,5-di...) Show SMILES Cc1cc(C)c(=O)n(n1)C(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C25H27N3O6S/c1-15-12-16(2)26-28(24(15)30)22(17-6-11-20-21(13-17)34-14-33-20)23(29)27-35(31,32)19-9-7-18(8-10-19)25(3,4)5/h6-13,22H,14H2,1-5H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	18	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
Endothelin-1 receptor (RAT)	BDBM50290940 (CHEMBL94929 | N-[2-Benzo[1,3]dioxol-5-yl-2-(3,5-di...) Show SMILES Cc1cc(C)c(=O)n(n1)C(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C25H27N3O6S/c1-15-12-16(2)26-28(24(15)30)22(17-6-11-20-21(13-17)34-14-33-20)23(29)27-35(31,32)19-9-7-18(8-10-19)25(3,4)5/h6-13,22H,14H2,1-5H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the antagonism at the Endothelin A receptor (G-protein coupled endothelin A)				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