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BDBM50131415 CHEMBL3632765

SMILES: Nc1nc2nc(CC3CCCCC3)ncc2c(N)c1C#N

InChI Key: InChIKey=IKSIEIXIIKHCFA-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 = 50131415   
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)
BDBM50131415
PNG
(CHEMBL3632765)
Show SMILES Nc1nc2nc(CC3CCCCC3)ncc2c(N)c1C#N
Show InChI InChI=1S/C15H18N6/c16-7-10-13(17)11-8-19-12(20-15(11)21-14(10)18)6-9-4-2-1-3-5-9/h8-9H,1-6H2,(H4,17,18,19,20,21)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70E+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