Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50146608'   

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)	BDBM50146608 ((Z)-2-Benzo[1,3]dioxol-5-yl-3-(3-methoxy-benzyl)-4...) Show SMILES COc1ccc(cc1)C(=O)C(\Cc1cccc(OC)c1)=C(/C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H22O7/c1-30-19-9-6-17(7-10-19)25(27)21(13-16-4-3-5-20(12-16)31-2)24(26(28)29)18-8-11-22-23(14-18)33-15-32-22/h3-12,14H,13,15H2,1-2H3,(H,28,29)/b24-21-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Ability to displace [125I]-ET-1 from the rat endothelin A receptor expressed in rat aorta smooth muscle cells.				J Med Chem 47: 2750-60 (2004) Article DOI: 10.1021/jm031041j BindingDB Entry DOI: 10.7270/Q26T0M3J
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