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PubMed code 21719282

Compile data set for download or QSAR
Found 1 hit of Enzyme Inhibition Constant Data   
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
DNA Ligase I


(Homo sapiens (human))
BDBM50335293
PNG
((2R,3R,4S,5R)-2-(6-amino-2-(butylthio)-9H-purin-9-...)
Show SMILES CCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C14H21N5O4S/c1-2-3-4-24-14-17-11(15)8-12(18-14)19(6-16-8)13-10(22)9(21)7(5-20)23-13/h6-7,9-10,13,20-22H,2-5H2,1H3,(H2,15,17,18)/t7-,9-,10-,13-/m1/s1
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Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human DNA Ligase I by FRET-based assay


Bioorg Med Chem Lett 21: 4556-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.128
BindingDB Entry DOI: 10.7270/Q24B31Q8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%