Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50226255'   

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))	BDBM50226255 (6-(2-(3-cyclohexylpropyl)-2,3,4,5-tetrahydro-1H-be...) Show SMILES NC(=O)c1ccc(Oc2ccc3CN(CCCC4CCCCC4)CCCc3c2)nc1 Show InChI InChI=1S/C25H33N3O2/c26-25(29)21-11-13-24(27-17-21)30-23-12-10-22-18-28(15-5-9-20(22)16-23)14-4-8-19-6-2-1-3-7-19/h10-13,16-17,19H,1-9,14-15,18H2,(H2,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	704	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from cloned human kappa opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 17: 6841-6 (2007) Article DOI: 10.1016/j.bmcl.2007.10.025 BindingDB Entry DOI: 10.7270/Q2125TGQ
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