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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50039105'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50039105
PNG
(2-(3,4-Dichloro-phenyl)-1-(4-dimethylaminomethyl-6...)
Show SMILES CN(C)CC1N(CCc2occc12)C(=O)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H20Cl2N2O2/c1-21(2)11-16-13-6-8-24-17(13)5-7-22(16)18(23)10-12-3-4-14(19)15(20)9-12/h3-4,6,8-9,16H,5,7,10-11H2,1-2H3
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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
More data for this
Ligand-Target Pair