Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50185788'   

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))	BDBM50185788 ((2R)-1-(3-(1-(1,2-dihydroacenaphthylen-1-yl)piperi...) Show SMILES CN(C)C[C@@H](O)Cn1cc(C2CCN(CC2)C2Cc3cccc4cccc2c34)c2ccc(F)cc12 Show InChI InChI=1S/C30H34FN3O/c1-32(2)17-24(35)18-34-19-27(25-10-9-23(31)16-29(25)34)20-11-13-33(14-12-20)28-15-22-7-3-5-21-6-4-8-26(28)30(21)22/h3-10,16,19-20,24,28,35H,11-15,17-18H2,1-2H3/t24-,28?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>5.00E+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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