Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor type B' and Ligand = 'BDBM50051022'   

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 (Sus scrofa)	BDBM50051022 ((2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-{[bis-(3-meth...) Show SMILES COc1ccc(cc1)[C@@H]1[C@H]([C@@H](CN1CC(=O)N(CCC(C)C)CCC(C)C)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C31H42N2O6/c1-20(2)12-14-32(15-13-21(3)4)28(34)18-33-17-25(23-8-11-26-27(16-23)39-19-38-26)29(31(35)36)30(33)22-6-9-24(37-5)10-7-22/h6-11,16,20-21,25,29-30H,12-15,17-19H2,1-5H3,(H,35,36)/t25-,29-,30+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory activity measured against Endothelin B receptor binding to porcine cerebellum				J Med Chem 39: 1039-48 (1996) Article DOI: 10.1021/jm9505369 BindingDB Entry DOI: 10.7270/Q29G5KWT
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