Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50173252'   

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))	BDBM50173252 (1'-cyclooctylmethyl-6-hydroxy-1-methylspiro[2,3-di...) Show SMILES CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(O)cc12 Show InChI InChI=1S/C22H32N2O2/c1-23-20-15-18(25)9-10-19(20)22(21(23)26)11-13-24(14-12-22)16-17-7-5-3-2-4-6-8-17/h9-10,15,17,25H,2-8,11-14,16H2,1H3	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	120	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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