Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50153149'   

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))	BDBM50153149 (1-[1-(4-Propyl-cyclohexyl)-piperidin-4-yl]-1,3-dih...) Show SMILES CCCC1CCC(CC1)N1CCC(CC1)N1c2ccccc2NS1(=O)=O |(9.58,-2.84,;8.2,-2.19,;6.93,-3.08,;5.55,-2.4,;4.26,-3.31,;2.86,-2.63,;2.74,-1.08,;4,-.17,;5.42,-.86,;1.32,-.4,;.05,-1.29,;-1.34,-.61,;-1.46,.92,;-.19,1.79,;1.21,1.13,;-2.84,1.57,;-4.13,.77,;-4.39,-.74,;-5.83,-1.26,;-7.01,-.26,;-6.74,1.23,;-5.3,1.76,;-4.73,3.18,;-3.18,3.06,;-1.69,3.34,;-3.48,4.55,)| Show InChI InChI=1S/C20H31N3O2S/c1-2-5-16-8-10-17(11-9-16)22-14-12-18(13-15-22)23-20-7-4-3-6-19(20)21-26(23,24)25/h3-4,6-7,16-18,21H,2,5,8-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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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