Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50153122'   

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))	BDBM50153122 (CHEMBL181545 | {1-[1-(4-Isopropyl-cyclohexyl)-pipe...) Show SMILES CC(C)C1CCC(CC1)N1CCC(CC1)N1c2ccccc2CN(CC(=O)OC(C)(C)C)S1(=O)=O |(-2.24,-9.73,;-.9,-8.94,;.44,-9.71,;-.93,-7.4,;-2.26,-6.62,;-2.26,-5.08,;-.93,-4.31,;.41,-5.08,;.41,-6.62,;-.94,-2.77,;-2.28,-2.04,;-2.31,-.48,;-1,.32,;.36,-.43,;.38,-1.97,;-1.02,1.86,;-2.38,2.56,;-3.69,1.77,;-5.02,2.52,;-5.07,4.06,;-3.76,4.86,;-2.4,4.11,;-1.11,4.9,;.24,4.18,;1.55,4.98,;2.91,4.25,;2.95,2.7,;4.22,5.04,;5.57,4.32,;4.85,2.96,;6.91,3.55,;6.34,5.65,;.29,2.66,;1.76,3.06,;.68,1.16,)| Show InChI InChI=1S/C27H43N3O4S/c1-20(2)21-10-12-23(13-11-21)28-16-14-24(15-17-28)30-25-9-7-6-8-22(25)18-29(35(30,32)33)19-26(31)34-27(3,4)5/h6-9,20-21,23-24H,10-19H2,1-5H3	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
					More data for this Ligand-Target Pair