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SMILES: CC(C)(C)c1nc(-c2ccccn2)c2c(N)c(C#N)c(N)nc2n1

InChI Key: InChIKey=CIUGFHLROKKVBP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50131448   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
DNA ligase


(Staphylococcus aureus)		BDBM50131448
PNG
(CHEMBL3632781)
Show SMILES CC(C)(C)c1nc(-c2ccccn2)c2c(N)c(C#N)c(N)nc2n1
Show InChI InChI=1S/C17H17N7/c1-17(2,3)16-22-13(10-6-4-5-7-21-10)11-12(19)9(8-18)14(20)23-15(11)24-16/h4-7H,1-3H3,(H4,19,20,22,23,24)
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Article
PubMed
n/an/a 1.01E+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