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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase CHK2' and Ligand = 'BDBM50224983'   
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 CHK2


(Homo sapiens (Human))
BDBM50224983
PNG
(2-(4-(2-(1-benzylpiperidin-2-yl)ethoxy)phenyl)-1H-...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCCCN2Cc2ccccc2)cc1
Show InChI InChI=1S/C28H30N4O2/c29-27(33)22-11-14-25-26(18-22)31-28(30-25)21-9-12-24(13-10-21)34-17-15-23-8-4-5-16-32(23)19-20-6-2-1-3-7-20/h1-3,6-7,9-14,18,23H,4-5,8,15-17,19H2,(H2,29,33)(H,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair