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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 = 'BDBM50325149'   
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))
BDBM50325149
PNG
(8-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[4,3-a...)
Show SMILES COc1ccc(cc1)-c1ccc2c(C)cc3n[nH]c(=O)n3c2c1
Show InChI InChI=1S/C18H15N3O2/c1-11-9-17-19-20-18(22)21(17)16-10-13(5-8-15(11)16)12-3-6-14(23-2)7-4-12/h3-10H,1-2H3,(H,20,22)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 520n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5133-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.015
BindingDB Entry DOI: 10.7270/Q2FF3SJZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)