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BDBM50353355 CHEMBL1831201

SMILES: CNC1=Nc2cc(sc2N2C(C)C=NC12)-c1cccc(CN)c1

InChI Key: InChIKey=SHJCGFFQLRTBES-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50353355   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50353355
PNG
(CHEMBL1831201)
Show SMILES CNC1=Nc2cc(sc2N2C(C)C=NC12)-c1cccc(CN)c1
Show InChI InChI=1S/C17H19N5S/c1-10-9-20-16-15(19-2)21-13-7-14(23-17(13)22(10)16)12-5-3-4-11(6-12)8-18/h3-7,9-10,16H,8,18H2,1-2H3,(H,19,21)
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Similars

Article
PubMed
n/an/a 8.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human IKKbeta using TMB as substrate after 30 mins by spectrophotometry


Eur J Med Chem 46: 3942-52 (2011)


Article DOI: 10.1016/j.ejmech.2011.05.066
BindingDB Entry DOI: 10.7270/Q2XG9RJH
More data for this
Ligand-Target Pair