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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA ligase' and Ligand = 'BDBM50131416'   
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)		BDBM50131416
PNG
(CHEMBL3632766)
Show SMILES CC(C)Cc1ncc2c(N)c(C#N)c(N)nc2n1
Show InChI InChI=1S/C12H14N6/c1-6(2)3-9-16-5-8-10(14)7(4-13)11(15)18-12(8)17-9/h5-6H,3H2,1-2H3,(H4,14,15,16,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.10E+3n/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