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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 = 'BDBM50414091'   
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))
BDBM50414091
PNG
(CHEMBL538671)
Show SMILES Cn1cc(-c2ccc3c(Nc4ccc(CCOc5ccc(cc5)N5CCOCC5)cc4NC3=O)c2)c2ccncc12
Show InChI InChI=1S/C33H31N5O3/c1-37-21-28(26-10-12-34-20-32(26)37)23-3-8-27-30(19-23)35-29-9-2-22(18-31(29)36-33(27)39)11-15-41-25-6-4-24(5-7-25)38-13-16-40-17-14-38/h2-10,12,18-21,35H,11,13-17H2,1H3,(H,36,39)
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PC cid
PC sid
UniChem
Article
PubMed
0.631n/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