Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor type B' and Ligand = 'BDBM50079430'   

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 (Homo sapiens (Human))	BDBM50079430 (3-[2-(4-Carboxymethoxy-3-methoxy-phenyl)-ethoxy]-2...) Show SMILES COc1cc(CCOC(C(Oc2nc(C)cc(C)n2)C(O)=O)(c2ccccc2)c2ccccc2)ccc1OCC(O)=O Show InChI InChI=1S/C32H32N2O8/c1-21-18-22(2)34-31(33-21)42-29(30(37)38)32(24-10-6-4-7-11-24,25-12-8-5-9-13-25)41-17-16-23-14-15-26(27(19-23)39-3)40-20-28(35)36/h4-15,18-19,29H,16-17,20H2,1-3H3,(H,35,36)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
BASF AG Curated by ChEMBL					Assay Description Inhibition of [125I]-ET-3 (ETB assay) binding to human cloned Endothelin B receptor in CHO cells				J Med Chem 42: 3026-32 (1999) Article DOI: 10.1021/jm9910425 BindingDB Entry DOI: 10.7270/Q2HD7TV6
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