Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50034477'   

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)	BDBM50034477 (CHEMBL25970 | N-(3,4-Dimethyl-isoxazol-5-yl)-3-nit...) Show SMILES Cc1[n-][o+]c(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c1C Show InChI InChI=1S/C11H11N3O5S/c1-7-8(2)12-19-11(7)13-20(17,18)10-5-3-4-9(6-10)14(15)16/h3-6,13H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.				J Med Chem 38: 1344-54 (1995) BindingDB Entry DOI: 10.7270/Q20864BS
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50034477 (CHEMBL25970 | N-(3,4-Dimethyl-isoxazol-5-yl)-3-nit...) Show SMILES Cc1[n-][o+]c(NS(=O)(=O)c2cccc(c2)[N+]([O-])=O)c1C Show InChI InChI=1S/C11H11N3O5S/c1-7-8(2)12-19-11(7)13-20(17,18)10-5-3-4-9(6-10)14(15)16/h3-6,13H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against human Endothelin A receptor in TE 671(ATCC# HTB 139) cell membrane preparation				Bioorg Med Chem Lett 6: 2393-2398 (1996) Article DOI: 10.1016/0960-894X(96)00441-6 BindingDB Entry DOI: 10.7270/Q22V2G3R
					More data for this Ligand-Target Pair