Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50420809'   

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))	BDBM50420809 (CHEMBL2088038 | CHEMBL2088039) Show SMILES CN(C)C(=O)C(CN1CCC2(CC1)OCCc1ccsc21)Cn1cccn1 Show InChI InChI=1S/C20H28N4O2S/c1-22(2)19(25)17(15-24-9-3-8-21-24)14-23-10-6-20(7-11-23)18-16(4-12-26-20)5-13-27-18/h3,5,8-9,13,17H,4,6-7,10-12,14-15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaci�n Lilly Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned kappa type opioid receptor expressed in CHO cell membranes by scintillation counter				J Med Chem 55: 4955-67 (2012) Article DOI: 10.1021/jm201629q BindingDB Entry DOI: 10.7270/Q2TQ62SQ
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