BDBM50240948 CHEMBL359965::S-allyl prop-2-ene-1-sulfinothioate::allicin::thio-2-propene-1-sulfinic acid S-allyl ester

SMILES C=CCSS(=O)CC=C

InChI Key InChIKey=JDLKFOPOAOFWQN-UHFFFAOYSA-N

Data  3 KI  1 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50240948   

LigandPNGBDBM50240948(S-allyl prop-2-ene-1-sulfinothioate | allicin | th...)
Affinity DataEC50:  1.32E+3nMAssay Description:Activation of mouse TRPA1 channelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
LigandPNGBDBM50240948(S-allyl prop-2-ene-1-sulfinothioate | allicin | th...)
Affinity DataEC50:  1.91E+3nMAssay Description:Activation of human TRPA1 channelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
LigandPNGBDBM50240948(S-allyl prop-2-ene-1-sulfinothioate | allicin | th...)
Affinity DataEC50:  5.12E+4nMAssay Description:Activation of rat TRPV1 channelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetMitochondrial 2-oxodicarboxylate carrier(Human)
Michigan State University

Curated by ChEMBL
LigandPNGBDBM50240948(S-allyl prop-2-ene-1-sulfinothioate | allicin | th...)
Affinity DataIC50: 11nMAssay Description:Inhibition of ODC (unknown origin) expressed in Escherichia coli after 30 mins in presence of [1-14C] L-ornithine by liquid scintillation counter ana...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details
PubMed
TargetCysteine protease(Trypanosoma brucei rhodesiense)
University of WüRzburg

Curated by ChEMBL
LigandPNGBDBM50240948(S-allyl prop-2-ene-1-sulfinothioate | allicin | th...)
Affinity DataKi:  5.31E+3nMAssay Description:Inhibition of Trypanosoma brucei rhodesiense rhodesainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed
TargetCathepsin B(Human)
University of WüRzburg

Curated by ChEMBL
LigandPNGBDBM50240948(S-allyl prop-2-ene-1-sulfinothioate | allicin | th...)
Affinity DataKi:  8.60E+3nMAssay Description:Inhibition of cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed
TargetProcathepsin L(Human)
University of WüRzburg

Curated by ChEMBL
LigandPNGBDBM50240948(S-allyl prop-2-ene-1-sulfinothioate | allicin | th...)
Affinity DataKi:  9.30E+3nMAssay Description:Inhibition of cathepsin LMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/20/2011
Entry Details Article
PubMed