Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50039097'   

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))	BDBM50039097 (2-(3,4-Dichloro-phenyl)-1-[4-(3,6-dihydro-2H-pyrid...) Show SMILES Clc1ccc(CC(=O)N2CCc3occc3C2CN2CCC=CC2)cc1Cl |c:23| Show InChI InChI=1S/C21H22Cl2N2O2/c22-17-5-4-15(12-18(17)23)13-21(26)25-10-6-20-16(7-11-27-20)19(25)14-24-8-2-1-3-9-24/h1-2,4-5,7,11-12,19H,3,6,8-10,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description In vitro kappa-opioid receptor agonist activity in isolated rabbit vas deferens assay				J Med Chem 37: 2138-44 (1994) BindingDB Entry DOI: 10.7270/Q2668C78
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