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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thiamine transporter 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 1


(Homo sapiens)
BDBM50027794
PNG
(1-(4-Amino-2-propyl-pyrimidin-5-ylmethyl)-2-methyl...)
Show SMILES CCCc1ncc(C[n+]2ccccc2C)c(N)n1
Show InChI InChI=1S/C14H19N4/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17)/q+1
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
7.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antiparasitic activity of the compound against thiamine transporter of Eimeria tenella


J Med Chem 27: 1-9 (1984)

More data for this
Ligand-Target Pair
Thiamine transporter 1


(Homo sapiens)
BDBM50027794
PNG
(1-(4-Amino-2-propyl-pyrimidin-5-ylmethyl)-2-methyl...)
Show SMILES CCCc1ncc(C[n+]2ccccc2C)c(N)n1
Show InChI InChI=1S/C14H19N4/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17)/q+1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
3.63E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antiparasitic activity of the compound against thiamine transporter of chicken intestine


J Med Chem 27: 1-9 (1984)

More data for this
Ligand-Target Pair