Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50272295'   

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))	BDBM50272295 (2-((3,4-dichlorophenyl)(methyl)amino)-1-(4-(phenyl...) Show SMILES CN(CC(=O)N1CCN(CC1CN1CCCC1)S(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H30Cl2N4O3S/c1-27(19-9-10-22(25)23(26)15-19)18-24(31)30-14-13-29(17-20(30)16-28-11-5-6-12-28)34(32,33)21-7-3-2-4-8-21/h2-4,7-10,15,20H,5-6,11-14,16-18H2,1H3	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	250	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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