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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA ligase' and Ligand = 'BDBM50131482'   
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


(Staphylococcus aureus)
BDBM50131482
PNG
(CHEMBL3632787)
Show SMILES CC(C)(C)c1nc(-c2ccc(s2)C(O)=O)c2c(N)c(C#N)c(N)nc2n1
Show InChI InChI=1S/C17H16N6O2S/c1-17(2,3)16-21-12(8-4-5-9(26-8)15(24)25)10-11(19)7(6-18)13(20)22-14(10)23-16/h4-5H,1-3H3,(H,24,25)(H4,19,20,21,22,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 550n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase


Bioorg Med Chem Lett 25: 5172-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.075
BindingDB Entry DOI: 10.7270/Q2KD20RN
More data for this
Ligand-Target Pair