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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA ligase' and Ligand = 'BDBM50131457'   
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)		BDBM50131457
PNG
(CHEMBL3632784)
Show SMILES CC(C)(C)c1nc(-c2cnccn2)c2c(N)c(C#N)c(N)nc2n1
Show InChI InChI=1S/C16H16N8/c1-16(2,3)15-22-12(9-7-20-4-5-21-9)10-11(18)8(6-17)13(19)23-14(10)24-15/h4-5,7H,1-3H3,(H4,18,19,22,23,24)
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PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.44E+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