Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor type B' and Ligand = 'BDBM50079433'   

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))	BDBM50079433 (3,3-Bis-(4-ethyl-phenyl)-2-(4-methoxy-6-methyl-pyr...) Show SMILES CCc1ccc(cc1)C(OCCc1ccc(OC)cc1)(C(Oc1nc(C)cc(OC)n1)C(O)=O)c1ccc(CC)cc1 Show InChI InChI=1S/C34H38N2O6/c1-6-24-8-14-27(15-9-24)34(28-16-10-25(7-2)11-17-28,41-21-20-26-12-18-29(39-4)19-13-26)31(32(37)38)42-33-35-23(3)22-30(36-33)40-5/h8-19,22,31H,6-7,20-21H2,1-5H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	160	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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