Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50105020'   

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 (Sus scrofa)	BDBM50105020 (5-Pyridin-2-yl-thiophene-2-sulfonic acid {6-[2-(5-...) Show SMILES Cc1ccc(cc1)-c1c(NS(=O)(=O)c2ccc(s2)-c2ccccn2)ncnc1OCCOc1ncc(Br)cn1 Show InChI InChI=1S/C26H21BrN6O4S2/c1-17-5-7-18(8-6-17)23-24(31-16-32-25(23)36-12-13-37-26-29-14-19(27)15-30-26)33-39(34,35)22-10-9-21(38-22)20-4-2-3-11-28-20/h2-11,14-16H,12-13H2,1H3,(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells				J Med Chem 44: 3355-68 (2001) BindingDB Entry DOI: 10.7270/Q2QN662B
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