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BDBM50131424 CHEMBL3632772

SMILES: CCCCc1nc(nc2nc(N)c(C#N)c(N)c12)C(C)(C)C

InChI Key: InChIKey=FJGQBWFMSTVOTA-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 = 50131424   
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)		BDBM50131424
PNG
(CHEMBL3632772)
Show SMILES CCCCc1nc(nc2nc(N)c(C#N)c(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H22N6/c1-5-6-7-10-11-12(18)9(8-17)13(19)21-14(11)22-15(20-10)16(2,3)4/h5-7H2,1-4H3,(H4,18,19,20,21,22)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 110n/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