Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50239745'   

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))	BDBM50239745 (2-(4-(6-chloro-2-(pentan-3-ylthio)-3H-benzo[d]imid...) Show SMILES CCC(CC)Sc1nc2cc(Cl)c(cc2[nH]1)N1CCN(CCO)CC1 Show InChI InChI=1S/C18H27ClN4OS/c1-3-13(4-2)25-18-20-15-11-14(19)17(12-16(15)21-18)23-7-5-22(6-8-23)9-10-24/h11-13,24H,3-10H2,1-2H3,(H,20,21)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from human cloned kappa opioid receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 3278-81 (2008) Article DOI: 10.1016/j.bmcl.2008.04.054 BindingDB Entry DOI: 10.7270/Q2HT2Q57
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