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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 = 'BDBM50359811'   
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))
BDBM50359811
PNG
(CHEMBL1928700)
Show SMILES N#Cc1ncc(Nc2cc3ccccc3cn2)nc1OC1CCCNC1
Show InChI InChI=1S/C19H18N6O/c20-9-16-19(26-15-6-3-7-21-11-15)25-18(12-22-16)24-17-8-13-4-1-2-5-14(13)10-23-17/h1-2,4-5,8,10,12,15,21H,3,6-7,11H2,(H,23,24,25)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)