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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phenylalanine--tRNA ligase alpha/beta subunit' and Ligand = 'BDBM18111'   
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
Phenylalanine--tRNA ligase alpha/beta subunit


(Staphylococcus aureus)
BDBM18111
PNG
(4-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]am...)
Show SMILES OC(CNCc1ccccc1OCCCC(O)=O)c1cc(Br)cs1
Show InChI InChI=1S/C17H20BrNO4S/c18-13-8-16(24-11-13)14(20)10-19-9-12-4-1-2-5-15(12)23-7-3-6-17(21)22/h1-2,4-5,8,11,14,19-20H,3,6-7,9-10H2,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/an/an/an/a2.0n/a



GSK



Assay Description
The reactions were performed in 96-well Packard 384-well Packard Optiplates. After 10 min of incubation, the reaction was stopped by addition of a co...


Bioorg Med Chem Lett 15: 2305-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.003
BindingDB Entry DOI: 10.7270/Q25D8Q3C
More data for this
Ligand-Target Pair