Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50185799'   

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))	BDBM50185799 (1-(1,2-dihydroacenaphthylen-1-yl)-4-(1-methyl-1H-p...) Show SMILES Cn1cc(C2CCN(CC2O)C2Cc3cccc4cccc2c34)c2cccnc12 Show InChI InChI=1S/C25H25N3O/c1-27-14-21(19-9-4-11-26-25(19)27)18-10-12-28(15-23(18)29)22-13-17-7-2-5-16-6-3-8-20(22)24(16)17/h2-9,11,14,18,22-23,29H,10,12-13,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells				Bioorg Med Chem Lett 16: 3524-8 (2006) Article DOI: 10.1016/j.bmcl.2006.03.094 BindingDB Entry DOI: 10.7270/Q2VT1RQJ
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