Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50000785'   

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 (Cavia porcellus (domestic guinea pig))	BDBM50000785 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(5-oxo-2-pyrrol...) Show SMILES CN([C@H]1CC(=O)CC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H24Cl2N2O2/c1-22(19(25)11-13-4-6-15(20)16(21)10-13)18-12-14(24)5-7-17(18)23-8-2-3-9-23/h4,6,10,17-18H,2-3,5,7-9,11-12H2,1H3/t17-,18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa from guinea pig brain membranes using [3H]ethylketocyclazocine as radioligand				J Med Chem 35: 2243-7 (1992) BindingDB Entry DOI: 10.7270/Q20K296N
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