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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 = 'BDBM50433506'   
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))
BDBM50433506
PNG
(CHEMBL2381243)
Show SMILES Cc1nc2CN(Cc2s1)c1nc(cs1)C(=O)Nc1ccccc1N1CCNCC1
Show InChI InChI=1S/C20H22N6OS2/c1-13-22-15-10-26(11-18(15)29-13)20-24-16(12-28-20)19(27)23-14-4-2-3-5-17(14)25-8-6-21-7-9-25/h2-5,12,21H,6-11H2,1H3,(H,23,27)
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 280n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged CHK1 (unknown origin) expressed in baculovirus expression system using biotin-RSGLYRSPSMPENLNRPR as substrate af...


Bioorg Med Chem Lett 23: 2590-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.108
BindingDB Entry DOI: 10.7270/Q2125V19
More data for this
Ligand-Target Pair