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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 = 'BDBM50105106'   
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))
BDBM50105106
PNG
(1-[1-(2-Chloro-4-methyl-benzyl)-piperidin-4-yl]-1,...)
Show SMILES Cc1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c(Cl)c1
Show InChI InChI=1S/C20H22ClN3O/c1-14-6-7-15(17(21)12-14)13-23-10-8-16(9-11-23)24-19-5-3-2-4-18(19)22-20(24)25/h2-7,12,16H,8-11,13H2,1H3,(H,22,25)
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n/an/a 270n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair