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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 = 'BDBM50414096'   
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))
BDBM50414096
PNG
(CHEMBL550820)
Show SMILES COc1cc-2c(cc1OCCCN1CCOCC1)C(=O)c1c(n[nH]c-21)-c1ccccc1
Show InChI InChI=1S/C24H25N3O4/c1-29-19-14-17-18(15-20(19)31-11-5-8-27-9-12-30-13-10-27)24(28)21-22(25-26-23(17)21)16-6-3-2-4-7-16/h2-4,6-7,14-15H,5,8-13H2,1H3,(H,25,26)
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PC cid
PC sid
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Article
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5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair