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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 = 'BDBM50224900'   
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))
BDBM50224900
PNG
(2-chloro-N-(7-chloro-18-cyano-3-oxo-11,16-dioxa-2,...)
Show SMILES Clc1cc(ccn1)C(=O)Nc1cc2OCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C22H17Cl2N7O4/c23-13-8-15-17(9-14(13)28-20(32)12-3-4-26-18(24)7-12)34-5-1-2-6-35-21-16(10-25)27-11-19(30-21)31-22(33)29-15/h3-4,7-9,11H,1-2,5-6H2,(H,28,32)(H2,29,30,31,33)
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PC cid
PC sid
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Article
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n/an/a 4n/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