Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM116202'   

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))	BDBM116202 (US8637502, 5) Show SMILES O=C1CC(=O)N(C2CCN(CC2)C2CCCCCCC2)c2ccccc2N1 Show InChI InChI=1S/C22H31N3O2/c26-21-16-22(27)25(20-11-7-6-10-19(20)23-21)18-12-14-24(15-13-18)17-8-4-2-1-3-5-9-17/h6-7,10-11,17-18H,1-5,8-9,12-16H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	355	-34.2	n/a	n/a	n/a	n/a	n/a	7.4	4
Purde Pharma L.P.; Shionogi & Co., Ltd. US Patent					Assay Description κ-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kappa opioid receptor (kappa) (cloned ...				US Patent US8637502 (2014) BindingDB Entry DOI: 10.7270/Q2P55M54
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