Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50000786'   

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))	BDBM50000786 (2-(3,4-Dichloro-phenyl)-N-methyl-N-(3-methylene-2-...) Show SMILES CN([C@H]1C[C@@]2(CC(=C)C(=O)O2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C23H28Cl2N2O3/c1-15-13-23(30-22(15)29)8-7-19(27-9-3-4-10-27)20(14-23)26(2)21(28)12-16-5-6-17(24)18(25)11-16/h5-6,11,19-20H,1,3-4,7-10,12-14H2,2H3/t19-,20-,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	109	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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