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SMILES: CC(C)(C)c1nc(-c2ccsc2)c2c(N)c(C#N)c(N)nc2n1

InChI Key: InChIKey=UZRQFYMJYOVPSF-UHFFFAOYSA-N

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50131443   
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)		BDBM50131443
PNG
(CHEMBL3632779)
Show SMILES CC(C)(C)c1nc(-c2ccsc2)c2c(N)c(C#N)c(N)nc2n1
Show InChI InChI=1S/C16H16N6S/c1-16(2,3)15-20-12(8-4-5-23-7-8)10-11(18)9(6-17)13(19)21-14(10)22-15/h4-5,7H,1-3H3,(H4,18,19,20,21,22)
PDB
MMDB

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 740n/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)


BindingDB Entry DOI: 10.7270/Q2KD20RN
More data for this
Ligand-Target Pair