Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor type B' and Ligand = 'BDBM50056082'   

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)	BDBM50056082 ((2R,3R,4S)-2-(4-Methoxy-phenyl)-1-[(methyl-propyl-...) Show SMILES CCCN(C)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1cccc2ccccc12 Show InChI InChI=1S/C28H32N2O4/c1-4-16-29(2)25(31)18-30-17-24(23-11-7-9-19-8-5-6-10-22(19)23)26(28(32)33)27(30)20-12-14-21(34-3)15-13-20/h5-15,24,26-27H,4,16-18H2,1-3H3,(H,32,33)/t24-,26-,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards endothelin B receptor in porcine cerebellar tissue using [125I]-ET-1 as radioligand.				J Med Chem 40: 322-30 (1997) Article DOI: 10.1021/jm960077r BindingDB Entry DOI: 10.7270/Q20C4TV2
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