Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50147735'   

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))	BDBM50147735 (1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-1,3-...) Show SMILES CC(C)[C@H]1CC[C@H](CC1)N1CCC(CC1)N1C(=O)Cc2ccccc12 |wD:6.9,3.2,(24.86,-7.21,;24.05,-5.88,;24.8,-4.53,;22.51,-5.93,;21.72,-4.6,;20.17,-4.65,;19.43,-6,;20.25,-7.31,;21.78,-7.28,;17.91,-6.04,;17.1,-4.72,;15.55,-4.77,;14.83,-6.12,;15.63,-7.44,;17.17,-7.39,;13.29,-6.16,;12.34,-4.95,;12.78,-3.47,;10.9,-5.46,;10.94,-7,;9.85,-8.05,;10.21,-9.57,;11.69,-9.99,;12.8,-8.93,;12.43,-7.42,)| Show InChI InChI=1S/C22H32N2O/c1-16(2)17-7-9-19(10-8-17)23-13-11-20(12-14-23)24-21-6-4-3-5-18(21)15-22(24)25/h3-6,16-17,19-20H,7-15H2,1-2H3/t17-,19+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity against human Opioid receptor kappa 1 on CHO cell membranes by [3H]U-69593 displacement.				J Med Chem 47: 2973-6 (2004) Article DOI: 10.1021/jm034249d BindingDB Entry DOI: 10.7270/Q2KW5FHV
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