Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor type B' and Ligand = 'BDBM50070889'   

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 receptor type B (Sus scrofa)	BDBM50070889 (CHEMBL51030 | Sodium; (Z)-2-benzo[1,2,5]thiadiazol...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1ccc(SC)cc1)=C(/C([O-])=O)c1ccc2nsnc2c1 Show InChI InChI=1S/C25H20N2O4S2/c1-31-18-8-5-16(6-9-18)24(28)20(13-15-3-10-19(32-2)11-4-15)23(25(29)30)17-7-12-21-22(14-17)27-33-26-21/h3-12,14H,13H2,1-2H3,(H,29,30)/p-1/b23-20-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+3	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 porcine kidney (inner medulla) membranes Endothelin B receptor				Bioorg Med Chem Lett 8: 1771-6 (1999) BindingDB Entry DOI: 10.7270/Q2TM7BM4
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