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Compile Data Set for Download or QSAR

Found 3 hits of kd for monomerid = 50373886   
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
Thiamine transporter ThiT


(Lactococcus lactis (Firmicutes))
BDBM50373886
PNG
(3-Deazathiamine | CHEMBL401772)
Show SMILES Cc1c(Cc2cnc(C)nc2N)csc1CCO
Show InChI InChI=1S/C13H17N3OS/c1-8-11(7-18-12(8)3-4-17)5-10-6-15-9(2)16-13(10)14/h6-7,17H,3-5H2,1-2H3,(H2,14,15,16)
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Article
PubMed
n/an/an/a 4.23n/an/an/an/an/a



University of Groningen



Assay Description
Purified ThiT was diluted in buffer E to a concentration of ~50 nM in a final volume of 800 µL. The substrates were added in 1 µL steps. Using an exc...


Chembiochem 16: 819-26 (2015)


Article DOI: 10.1002/cbic.201402673
BindingDB Entry DOI: 10.7270/Q25D8QJ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transketolase


(Homo sapiens (Human))
BDBM50373886
PNG
(3-Deazathiamine | CHEMBL401772)
Show SMILES Cc1c(Cc2cnc(C)nc2N)csc1CCO
Show InChI InChI=1S/C13H17N3OS/c1-8-11(7-18-12(8)3-4-17)5-10-6-15-9(2)16-13(10)14/h6-7,17H,3-5H2,1-2H3,(H2,14,15,16)
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n/an/an/a 12n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair
Transketolase


(Homo sapiens (Human))
BDBM50373886
PNG
(3-Deazathiamine | CHEMBL401772)
Show SMILES Cc1c(Cc2cnc(C)nc2N)csc1CCO
Show InChI InChI=1S/C13H17N3OS/c1-8-11(7-18-12(8)3-4-17)5-10-6-15-9(2)16-13(10)14/h6-7,17H,3-5H2,1-2H3,(H2,14,15,16)
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Article
PubMed
n/an/an/a 1.80E+4n/an/an/an/an/a



Array BioPharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of apo-transketolase


Bioorg Med Chem Lett 18: 509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.098
BindingDB Entry DOI: 10.7270/Q2WW7JJ3
More data for this
Ligand-Target Pair