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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 = 'BDBM50245524'   
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))		BDBM50245524
PNG
(3-(4-(2,6-dichlorophenyl)-9-hydroxy-1,3-dioxo-2,3-...)
Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(-7.22,-5.81,;-6.19,-4.67,;-4.68,-4.98,;-6.66,-3.2,;-5.64,-2.06,;-6.11,-.59,;-7.59,-.11,;-8.92,-.88,;-10.26,-.11,;-10.25,1.43,;-11.59,2.2,;-8.92,2.2,;-7.59,1.44,;-6.11,1.92,;-5.49,3.33,;-6.11,4.73,;-7.61,5.05,;-4.97,5.76,;-3.64,4.99,;-2.23,5.61,;-3.96,3.48,;-3.04,2.23,;-3.67,.82,;-5.21,.66,;-1.51,2.39,;-.61,1.14,;-1.24,-.26,;.92,1.3,;1.55,2.71,;.64,3.96,;-.89,3.79,;-.9,5.34,)|
Show InChI InChI=1S/C23H15Cl2N3O4/c24-13-2-1-3-14(25)18(13)12-9-16-19(21-20(12)22(31)27-23(21)32)11-8-10(29)4-5-15(11)28(16)7-6-17(26)30/h1-5,8-9,29H,6-7H2,(H2,26,30)(H,27,31,32)
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MMDB

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Similars
Article
PubMed
n/an/a 360n/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