BDBM50373886 3-Deazathiamine::CHEMBL401772

SMILES Cc1c(Cc2cnc(C)nc2N)csc1CCO

InChI Key InChIKey=HLBXMICRXICHJQ-UHFFFAOYSA-N

Data  1 IC50  3 Kd  1 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50373886   

TargetThiamine transporter ThiT(Lactococcus lactis (Firmicutes))
University Of Groningen

LigandPNGBDBM50373886(3-Deazathiamine | CHEMBL401772)
Affinity DataKd:  4.23nMAssay 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...More data for this Ligand-Target Pair
Target1-deoxy-D-xylulose-5-phosphate synthase(Deinococcus radiodurans (strain ATCC 13939 / DSM 2...)
University Of Groningen

Curated by ChEMBL
LigandPNGBDBM50373886(3-Deazathiamine | CHEMBL401772)
Affinity DataIC50:  4.30E+5nMAssay Description:Inhibition of Deinococcus radiodurans DXSMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransketolase(Homo sapiens (Human))
Array Biopharma

Curated by ChEMBL
LigandPNGBDBM50373886(3-Deazathiamine | CHEMBL401772)
Affinity DataKd:  12nMAssay Description:Inhibition of apo-transketolase by coupled TPPK/Apo-TK enzymatic assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransketolase(Homo sapiens (Human))
Array Biopharma

Curated by ChEMBL
LigandPNGBDBM50373886(3-Deazathiamine | CHEMBL401772)
Affinity DataEC50:  1.20E+3nMAssay Description:Inhibition of transketolase in human HCT116 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransketolase(Homo sapiens (Human))
Array Biopharma

Curated by ChEMBL
LigandPNGBDBM50373886(3-Deazathiamine | CHEMBL401772)
Affinity DataKd:  1.80E+4nMAssay Description:Inhibition of apo-transketolaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed