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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transketolase' and Ligand = 'BDBM50373734'   
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
Transketolase


(Homo sapiens (Human))
BDBM50373734
PNG
(CHEMBL255340)
Show SMILES Cc1c(sc[n+]1Cc1ccc(C)nc1N)[C@@H](O)CO
Show InChI InChI=1S/C13H18N3O2S/c1-8-3-4-10(13(14)15-8)5-16-7-19-12(9(16)2)11(18)6-17/h3-4,7,11,17-18H,5-6H2,1-2H3,(H2,14,15)/q+1/t11-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 2.00E+3n/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human transketolase in HCT116 cells


Bioorg Med Chem Lett 18: 2206-10 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.101
BindingDB Entry DOI: 10.7270/Q26D5TVN
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens (Human))
BDBM50373734
PNG
(CHEMBL255340)
Show SMILES Cc1c(sc[n+]1Cc1ccc(C)nc1N)[C@@H](O)CO
Show InChI InChI=1S/C13H18N3O2S/c1-8-3-4-10(13(14)15-8)5-16-7-19-12(9(16)2)11(18)6-17/h3-4,7,11,17-18H,5-6H2,1-2H3,(H2,14,15)/q+1/t11-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 27n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of transketolase by TPPK/apo-TK coupled assay


Bioorg Med Chem Lett 18: 2206-10 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.101
BindingDB Entry DOI: 10.7270/Q26D5TVN
More data for this
Ligand-Target Pair