Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50272325'   

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))	BDBM50272325 (1-(4-(4-chlorophenylsulfonyl)-2-(pyrrolidin-1-ylme...) Show SMILES CN(CC(=O)N1CCN(CC1CN1CCCC1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C24H29Cl3N4O3S/c1-28(19-6-9-22(26)23(27)14-19)17-24(32)31-13-12-30(16-20(31)15-29-10-2-3-11-29)35(33,34)21-7-4-18(25)5-8-21/h4-9,14,20H,2-3,10-13,15-17H2,1H3	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	790	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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