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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA ligase' and Ligand = 'BDBM50444575'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
DNA ligase


(Staphylococcus aureus)		BDBM50444575
PNG
(CHEMBL3099710)
Show SMILES C1CC(C1)c1cccc(n1)-c1nnc[nH]1
Show InChI InChI=1S/C11H12N4/c1-3-8(4-1)9-5-2-6-10(14-9)11-12-7-13-15-11/h2,5-8H,1,3-4H2,(H,12,13,15)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30E+4n/an/an/an/an/an/a



Astex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6xHis-tagged full length recombinant Staphylococcus aureus DNA ligase (1 to 312) expressed in Escherichia coli BL21 (DE3) us...

ACS Med Chem Lett 4: 1208-12 (2013)


Article DOI: 10.1021/ml4003277
BindingDB Entry DOI: 10.7270/Q2J967V2
More data for this
Ligand-Target Pair