Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50153138'   

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))	BDBM50153138 (1-[1-(4-Benzyloxy-benzyl)-piperidin-4-yl]-1,3-dihy...) Show SMILES O=S1(=O)Nc2ccccc2N1C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 Show InChI InChI=1S/C25H27N3O3S/c29-32(30)26-24-8-4-5-9-25(24)28(32)22-14-16-27(17-15-22)18-20-10-12-23(13-11-20)31-19-21-6-2-1-3-7-21/h1-13,22,26H,14-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma LP Curated by ChEMBL					Assay Description Inhibition of [3H]U-69593 binding to human Opioid receptor kappa 1				Bioorg Med Chem Lett 14: 5045-50 (2004) Article DOI: 10.1016/j.bmcl.2004.08.001 BindingDB Entry DOI: 10.7270/Q2TM7BV8
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