Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50041621'   

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 (Homo sapiens (Human))	BDBM50041621 ((1R,2R,3S)-1,3-Bis-(4-methoxy-phenyl)-indan-2-carb...) Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](c2ccccc12)c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C24H22O4/c1-27-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)22(23(21)24(25)26)16-9-13-18(28-2)14-10-16/h3-14,21-23H,1-2H3,(H,25,26)/t21-,22+,23+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	422	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-1 binding to cloned human ET-A receptor				J Med Chem 37: 1553-7 (1994) BindingDB Entry DOI: 10.7270/Q2154G2V
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