Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50272414'   

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))	BDBM50272414 (3-(4-(2-(5-chloro-2-oxobenzo[d]oxazol-3(2H)-yl)ace...) Show SMILES Clc1ccc2oc(=O)n(CC(=O)N3CCN(CC3CN3CCCC3)S(=O)(=O)c3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C25H26ClN5O5S/c26-19-6-7-23-22(13-19)31(25(33)36-23)17-24(32)30-11-10-29(16-20(30)15-28-8-1-2-9-28)37(34,35)21-5-3-4-18(12-21)14-27/h3-7,12-13,20H,1-2,8-11,15-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	630	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO-K1 cells by [35S]GTPgamma binding assay				Bioorg Med Chem Lett 18: 4470-3 (2008) Article DOI: 10.1016/j.bmcl.2008.07.067 BindingDB Entry DOI: 10.7270/Q2TH8MHF
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