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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 = 'BDBM50414225'   
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))
BDBM50414225
PNG
(CHEMBL551086)
Show SMILES OC1CC(COc2ccc(Cl)cc2NC(=O)Nc2cnc(cn2)C#N)CC1O
Show InChI InChI=1S/C18H18ClN5O4/c19-11-1-2-16(28-9-10-3-14(25)15(26)4-10)13(5-11)23-18(27)24-17-8-21-12(6-20)7-22-17/h1-2,5,7-8,10,14-15,25-26H,3-4,9H2,(H2,22,23,24,27)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
2n/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