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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1' and Ligand = 'BDBM50245259'   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245259
PNG
(9-hydroxy-4-phenyl-6-(3-(phenylamino)propyl)pyrrol...)
Show SMILES Oc1ccc2n(CCCNc3ccccc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C29H23N3O3/c33-20-12-13-23-22(16-20)25-24(32(23)15-7-14-30-19-10-5-2-6-11-19)17-21(18-8-3-1-4-9-18)26-27(25)29(35)31-28(26)34/h1-6,8-13,16-17,30,33H,7,14-15H2,(H,31,34,35)
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PC sid
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Similars

Article
PubMed
n/an/a 210n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair