BDBM50163859 CHEMBL3797835::carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 12

SMILES CCCSc1c(F)c(F)c(c(NC2CCCCCCC2)c1F)S(N)(=O)=O

InChI Key InChIKey=KXHWJJLARFHTQI-UHFFFAOYSA-N

Data  15 Kd  6 Koff  6 Kon

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50163859   

TargetCarbonic anhydrase 12(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(carbonic anhydrase (CA) inhibitors, benzenesulphon...)
Affinity DataKd:  2.60E+3nMpH: 6.0Assay Description:Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 6 by surface pl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(carbonic anhydrase (CA) inhibitors, benzenesulphon...)
Affinity DataKd:  390nMpH: 8.0Assay Description:Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 8 by surface pl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(carbonic anhydrase (CA) inhibitors, benzenesulphon...)
Affinity DataKd:  100nMAssay Description:Binding affinity to human recombinant CA12 catalytic domain by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(carbonic anhydrase (CA) inhibitors, benzenesulphon...)
Affinity DataKd:  840nMpH: 7.0Assay Description:Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation constant calculated from saturation signal at pH 7 by surface pl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(carbonic anhydrase (CA) inhibitors, benzenesulphon...)
Affinity DataKd:  400nMAssay Description:Binding affinity to human recombinant CA12 catalytic domain after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(carbonic anhydrase (CA) inhibitors, benzenesulphon...)
Affinity DataKon:  0.0500M-1s-1Assay Description:Binding affinity to human recombinant CA12 catalytic domain assessed as dissociation rate constant after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(carbonic anhydrase (CA) inhibitors, benzenesulphon...)
Affinity DataKoff:  1.30E+5s-1Assay Description:Binding affinity to human recombinant CA12 catalytic domain assessed as association rate constant after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed