BDBM50382706 Benzyldithiocarbamate sodium salt (I)::CHEMBL2023168

SMILES [S-]C(=S)NCc1ccccc1

InChI Key InChIKey=NLGSBXAWUUVELO-UHFFFAOYSA-M

Data  10 KI

  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 10 hits for monomerid = 50382706   

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50382706(CHEMBL2023168 | Benzyldithiocarbamate sodium salt ...)
Affinity DataKi:  0.700nMAssay Description:Inhibition of human CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase(Fruit fly)
University of Tampere and Tampere University Hospital

Curated by ChEMBL
LigandPNGBDBM50382706(CHEMBL2023168 | Benzyldithiocarbamate sodium salt ...)
Affinity DataKi:  0.800nMAssay Description:Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50382706(CHEMBL2023168 | Benzyldithiocarbamate sodium salt ...)
Affinity DataKi:  4.10nMAssay Description:Inhibition of human CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50382706(CHEMBL2023168 | Benzyldithiocarbamate sodium salt ...)
Affinity DataKi:  12nMAssay Description:Inhibition of human CA12 pre-incubated for 15 mins by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50382706(CHEMBL2023168 | Benzyldithiocarbamate sodium salt ...)
Affinity DataKi:  19nMAssay Description:Inhibition of human CA9 pre-incubated for 15 mins by stopped-flow CO2 hydration methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetLD26647p(Fruit fly)
University of Tampere and Tampere University Hospital

Curated by ChEMBL
LigandPNGBDBM50382706(CHEMBL2023168 | Benzyldithiocarbamate sodium salt ...)
Affinity DataKi:  213nMAssay Description:Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetPolyphenol oxidase 1(White button mushroom)
University of Tehran

LigandPNGBDBM50382706(CHEMBL2023168 | Benzyldithiocarbamate sodium salt ...)
Affinity DataKi:  5.70E+3nM ΔG°:  -7.44kcal/molepH: 6.8 T: 2°CAssay Description:The assay was performed as previously described with slight modifications [Chen et al., J. Agric. Food Chem., 50:4108-12]. The reaction medium was 1 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2017
Entry Details Article
PubMed
TargetPolyphenol oxidase 1(White button mushroom)
University of Tehran

LigandPNGBDBM50382706(CHEMBL2023168 | Benzyldithiocarbamate sodium salt ...)
Affinity DataKi:  5.90E+3nM ΔG°:  -7.42kcal/molepH: 6.8 T: 2°CAssay Description:The assay was performed as previously described with slight modifications [Chen et al., J. Agric. Food Chem., 50:4108-12]. The reaction medium was 1 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2017
Entry Details Article
PubMed
TargetPolyphenol oxidase 1(White button mushroom)
University of Tehran

LigandPNGBDBM50382706(CHEMBL2023168 | Benzyldithiocarbamate sodium salt ...)
Affinity DataKi:  9.40E+3nM ΔG°:  -6.90kcal/molepH: 6.8 T: 2°CAssay Description:The assay was performed as previously described with slight modifications [Chen et al., J. Agric. Food Chem., 50:4108-12]. The reaction medium was 1 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2017
Entry Details Article
PubMed
TargetPolyphenol oxidase 1(White button mushroom)
University of Tehran

LigandPNGBDBM50382706(CHEMBL2023168 | Benzyldithiocarbamate sodium salt ...)
Affinity DataKi:  1.41E+4nM ΔG°:  -6.66kcal/molepH: 6.8 T: 2°CAssay Description:The assay was performed as previously described with slight modifications [Chen et al., J. Agric. Food Chem., 50:4108-12]. The reaction medium was 1 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2017
Entry Details Article
PubMed