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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 = 'BDBM50224916'   
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))
BDBM50224916
PNG
((Z)-7-chloro-8-(3-hydroxy-propoxy)-3-oxo-11,16-dio...)
Show SMILES OCCCOc1cc2OC\C=C/COc3nc(NC(=O)Nc2cc1Cl)cnc3C#N |c:10|
Show InChI InChI=1S/C19H18ClN5O5/c20-12-8-13-16(9-15(12)28-7-3-4-26)29-5-1-2-6-30-18-14(10-21)22-11-17(24-18)25-19(27)23-13/h1-2,8-9,11,26H,3-7H2,(H2,23,24,25,27)/b2-1-
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 17: 6593-601 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT
More data for this
Ligand-Target Pair