Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50177699'   

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))	BDBM50177699 (3-(trans-4,5-dimethyl-2-alpha-propylpiperidin-4-yl...) Show SMILES CCC[C@@H]1C[C@](C)([C@@H](C)CN1)c1cccc(O)c1 Show InChI InChI=1S/C16H25NO/c1-4-6-14-10-16(3,12(2)11-17-14)13-7-5-8-15(18)9-13/h5,7-9,12,14,17-18H,4,6,10-11H2,1-3H3/t12-,14+,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned kappa opioid receptor				Bioorg Med Chem Lett 16: 864-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.010 BindingDB Entry DOI: 10.7270/Q2RJ4J1J
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