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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 = 'BDBM50053235'   
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))
BDBM50053235
PNG
(CHEMBL3330232)
Show SMILES COc1ccc2[nH]c(nc2c1)-c1c(N[C@H]2CCCNC2)c2cc(Cl)sc2[nH]c1=O |r|
Show InChI InChI=1S/C20H20ClN5O2S/c1-28-11-4-5-13-14(7-11)25-18(24-13)16-17(23-10-3-2-6-22-9-10)12-8-15(21)29-20(12)26-19(16)27/h4-5,7-8,10,22H,2-3,6,9H2,1H3,(H,24,25)(H2,23,26,27)/t10-/m0/s1
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Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Chk1 (unknown origin) by luminescent ADP-Glo assay


Bioorg Med Chem 22: 4882-92 (2014)


Article DOI: 10.1016/j.bmc.2014.06.044
BindingDB Entry DOI: 10.7270/Q2TM7CRB
More data for this
Ligand-Target Pair