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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 = 'BDBM50414219'   
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))
BDBM50414219
PNG
(CHEMBL559621)
Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccccc2)cc1OCCCN1CCOCC1
Show InChI InChI=1S/C24H27N3O3/c1-28-21-16-19-18(15-22(21)30-11-5-8-27-9-12-29-13-10-27)14-20-23(25-26-24(19)20)17-6-3-2-4-7-17/h2-4,6-7,15-16H,5,8-14H2,1H3,(H,25,26)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
2.5n/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