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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Inhibitor of NF-kappa-B kinase (IKK)' and Ligand = 'BDBM50316252'   
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
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50316252
PNG
(CHEMBL1095626 | methyl 4-(6-(4-aminophenyl)-4-morp...)
Show SMILES COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
Show InChI InChI=1S/C22H27N7O3/c1-31-22(30)28-8-6-17(7-9-28)29-21-18(14-24-29)20(27-10-12-32-13-11-27)25-19(26-21)15-2-4-16(23)5-3-15/h2-5,14,17H,6-13,23H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of IKKalpha


J Med Chem 52: 8010-24 (2009)


Article DOI: 10.1021/jm9013828
BindingDB Entry DOI: 10.7270/Q28W3DGF
More data for this
Ligand-Target Pair