Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50070872'   

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)	BDBM50070872 (CHEMBL276362 | Sodium; (Z)-2-benzo[1,2,5]thiadiazo...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cc(OC(C)C)c(OC(C)C)c(OC(C)C)c1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C33H36N2O7S/c1-18(2)40-28-15-21(16-29(41-19(3)4)32(28)42-20(5)6)14-25(31(36)22-8-11-24(39-7)12-9-22)30(33(37)38)23-10-13-26-27(17-23)35-43-34-26/h8-13,15-20H,14H2,1-7H3,(H,37,38)/p-1/b30-25-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description In vitro ability to inhibit specific [125I]ET1 binding to rat aorta membranes Endothelin A receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
					More data for this Ligand-Target Pair