Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50173246'   

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))	BDBM50173246 (1'-cyclooctylmethyl-5-isopropyl-1-methylspiro[2,3-...) Show SMILES CC(C)c1ccc2N(C)C(=O)C3(CCN(CC4CCCCCCC4)CC3)c2c1 Show InChI InChI=1S/C25H38N2O/c1-19(2)21-11-12-23-22(17-21)25(24(28)26(23)3)13-15-27(16-14-25)18-20-9-7-5-4-6-8-10-20/h11-12,17,19-20H,4-10,13-16,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity against human opioid receptor kappa 1 expressed in HEK293 cells using 3H-U69,593 radioligand				Bioorg Med Chem Lett 15: 5022-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.009 BindingDB Entry DOI: 10.7270/Q2RF5TKC
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