Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50272326'   

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))	BDBM50272326 (2-((3,4-dichlorophenyl)(methyl)amino)-1-(4-(3-meth...) Show SMILES COc1cccc(c1)S(=O)(=O)N1CCN(C(CN2CCCC2)C1)C(=O)CN(C)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H32Cl2N4O4S/c1-28(19-8-9-23(26)24(27)14-19)18-25(32)31-13-12-30(17-20(31)16-29-10-3-4-11-29)36(33,34)22-7-5-6-21(15-22)35-2/h5-9,14-15,20H,3-4,10-13,16-18H2,1-2H3	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	79	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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