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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 = 'BDBM50325875'   
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))
BDBM50325875
PNG
(CHEMBL1224286 | endo-3-((1R,5S)-8-benzyl-8-azabicy...)
Show SMILES CNC(=O)c1cccc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 |r,TLB:18:17:16.10.11:14.13|
Show InChI InChI=1S/C22H26N2O2/c1-23-22(25)17-8-5-9-20(12-17)26-21-13-18-10-11-19(14-21)24(18)15-16-6-3-2-4-7-16/h2-9,12,18-19,21H,10-11,13-15H2,1H3,(H,23,25)/t18-,19+,21+
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Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human kappa opioid receptor expressed in HEK cells assessed as inhibition of dynorphin A-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5405-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.112
BindingDB Entry DOI: 10.7270/Q2X92BHQ
More data for this
Ligand-Target Pair