Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50272198'   

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))	BDBM50272198 (2-((3,4-dichlorophenyl)(methyl)amino)-1-(4-(3,4-di...) Show SMILES CN(CC(=O)N1CCN(CC1CN1CCCC1)c1ccc(F)c(F)c1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H28Cl2F2N4O/c1-29(17-4-6-20(25)21(26)12-17)16-24(33)32-11-10-31(18-5-7-22(27)23(28)13-18)15-19(32)14-30-8-2-3-9-30/h4-7,12-13,19H,2-3,8-11,14-16H2,1H3	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	6.30	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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