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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 = 'BDBM50108434'   
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))
BDBM50108434
PNG
(3-[2-Oxo-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1,2-...)
Show SMILES O=c1c(cccn1C(CN1CCCC1)c1ccccc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C24H23N3O/c25-17-19-8-6-11-21(16-19)22-12-7-15-27(24(22)28)23(18-26-13-4-5-14-26)20-9-2-1-3-10-20/h1-3,6-12,15-16,23H,4-5,13-14,18H2
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Similars

PubMed
n/an/a 5.30n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A


Bioorg Med Chem Lett 12: 197-200 (2001)


BindingDB Entry DOI: 10.7270/Q28051XH
More data for this
Ligand-Target Pair