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BDBM50131412 CHEMBL3632794

SMILES: CC(C)(C)c1nc(-c2nc(CO)cs2)c2c(N)c(C#N)c(N)nc2n1

InChI Key: InChIKey=FZSLQSIBSKUFQO-UHFFFAOYSA-N

Data: 1 IC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50131412   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA ligase


(Staphylococcus aureus)
BDBM50131412
PNG
(CHEMBL3632794)
Show SMILES CC(C)(C)c1nc(-c2nc(CO)cs2)c2c(N)c(C#N)c(N)nc2n1
Show InChI InChI=1S/C16H17N7OS/c1-16(2,3)15-21-11(14-20-7(5-24)6-25-14)9-10(18)8(4-17)12(19)22-13(9)23-15/h6,24H,5H2,1-3H3,(H4,18,19,21,22,23)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 84n/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