Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50378888'   

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))	BDBM50378888 (CHEMBL1743603) Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(O)=O |r| Show InChI InChI=1S/C26H33N3O5/c1-16-11-20(30)12-17(2)21(16)14-23(28(3)4)26(34)29-15-19-8-6-5-7-18(19)13-22(29)25(33)27-10-9-24(31)32/h5-8,11-12,22-23,30H,9-10,13-15H2,1-4H3,(H,27,33)(H,31,32)/t22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting				Eur J Med Chem 46: 799-803 (2011) Article DOI: 10.1016/j.ejmech.2010.12.001 BindingDB Entry DOI: 10.7270/Q2CF9R3C
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