Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50213381'   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50213381 (CHEMBL232137 | methyl 4-((2-(1-(2-methoxyacetyl)-4...) Show SMILES COCC(=O)N1CCC(CC1)(c1nccn1Cc1ccc(cc1)C(=O)OC)c1ccccc1 Show InChI InChI=1S/C26H29N3O4/c1-32-19-23(30)28-15-12-26(13-16-28,22-6-4-3-5-7-22)25-27-14-17-29(25)18-20-8-10-21(11-9-20)24(31)33-2/h3-11,14,17H,12-13,15-16,18-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from cloned human kappa opioid receptor				Bioorg Med Chem Lett 17: 3860-3 (2007) Article DOI: 10.1016/j.bmcl.2007.05.012 BindingDB Entry DOI: 10.7270/Q2TT4QMM
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