Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50177688'   

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))	BDBM50177688 (3-(1-ethyl-trans-4,5-dimethyl-2-alpha-propylpiperi...) Show SMILES CCC[C@@H]1C[C@](C)([C@@H](C)CN1CC)c1cccc(O)c1 Show InChI InChI=1S/C18H29NO/c1-5-8-16-12-18(4,14(3)13-19(16)6-2)15-9-7-10-17(20)11-15/h7,9-11,14,16,20H,5-6,8,12-13H2,1-4H3/t14-,16+,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	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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