Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50452623'   

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))	BDBM50452623 (CHEMBL2094047) Show SMILES Cl.CN([C@@H]1CCCC[C@H]1N1CCC[C@@H]1CO)C(=O)Cc1cccc2sccc12 |r| Show InChI InChI=1S/C22H30N2O2S.ClH/c1-23(22(26)14-16-6-4-10-21-18(16)11-13-27-21)19-8-2-3-9-20(19)24-12-5-7-17(24)15-25;/h4,6,10-11,13,17,19-20,25H,2-3,5,7-9,12,14-15H2,1H3;1H/t17-,19-,20-;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Research Unit Curated by ChEMBL					Assay Description Binding affinity towards opioid receptor kappa was determined				J Med Chem 32: 1620-6 (1989) BindingDB Entry DOI: 10.7270/Q2GH9JJB
					More data for this Ligand-Target Pair