Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50083227'   

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))	BDBM50083227 (1-{1-[1-(2-Chloro-phenyl)-ethyl]-piperidin-4-yl}-1...) Show SMILES CC(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccccc1Cl Show InChI InChI=1S/C20H22ClN3O/c1-14(16-6-2-3-7-17(16)21)23-12-10-15(11-13-23)24-19-9-5-4-8-18(19)22-20(24)25/h2-9,14-15H,10-13H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity of the compound in CHO cells stably expressing cloned human Opioid receptor kappa 1 by displacing radioligand [3H]-U-69,593				J Med Chem 42: 5061-3 (2000) BindingDB Entry DOI: 10.7270/Q2MC8Z69
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