Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50007004'   

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 (Mus musculus (Mouse))	BDBM50007004 (3,4-Dichloro-N-(2-dimethylamino-1,2,3,4-tetrahydro...) Show SMILES CN(C)[C@@H]1CCc2ccccc2[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2N2O/c1-23(2)18-11-9-13-6-4-5-7-15(13)19(18)24(3)20(25)14-8-10-16(21)17(22)12-14/h4-8,10,12,18-19H,9,11H2,1-3H3/t18-,19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Binding affinity against opioid receptor kappa using [3H]U-69,593 as a radioligand				J Med Chem 34: 1891-6 (1991) BindingDB Entry DOI: 10.7270/Q2WW7GM5
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