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
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 27 hits for monomerid = 50163859   

TargetCarbonic anhydrase 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKoff:  3.30E+5s-1pH: 8.0Assay Description:Binding affinity to human recombinant CA9 catalytic domain assessed as association rate constant at pH 8 by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
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 DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKoff:  2.90E+5s-1Assay Description:Binding affinity to human recombinant CA9 catalytic domain assessed as association rate constant after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
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 DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKoff:  5.80E+4s-1pH: 6.0Assay Description:Binding affinity to human recombinant CA9 catalytic domain assessed as association rate constant at pH 6 by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKoff:  1.60E+5s-1pH: 7.0Assay Description:Binding affinity to human recombinant CA9 catalytic domain assessed as association rate constant at pH 7 by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  19nMpH: 8.0Assay Description:Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 8 by surface pl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
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 DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
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 DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  510nMAssay Description:Binding affinity to human recombinant CA7 after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  33nMAssay Description:Binding affinity to human recombinant CA13 by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.00790M-1s-1pH: 6.0Assay Description:Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation rate constant at pH 6 by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  140nMpH: 6.0Assay Description:Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 6 by surface pl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
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 DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
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 DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.00720M-1s-1pH: 7.0Assay Description:Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation rate constant at pH 7 by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  46nMpH: 7.0Assay Description:Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation constant calculated from kinetic parameters at pH 7 by surface pl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.00620M-1s-1pH: 8.0Assay Description:Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation rate constant at pH 8 by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
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 DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  9.10E+3nMAssay Description:Binding affinity to human recombinant CA1 expressed in Escherichia coli by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  74nMAssay Description:Binding affinity to human recombinant CA7 by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.00770M-1s-1Assay Description:Binding affinity to human recombinant CA9 catalytic domain assessed as dissociation rate constant after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  450nMAssay Description:Binding affinity to human recombinant CA2 expressed in Escherichia coli by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  27nMAssay Description:Binding affinity to human recombinant CA9 catalytic domain after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.170nMAssay Description:Binding affinity to human recombinant CA9 catalytic domain by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.0100M-1s-1Assay Description:Binding affinity to human recombinant CA7 assessed as dissociation rate constant after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163859(CHEMBL3797835 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKoff:  2.00E+4s-1Assay Description:Binding affinity to human recombinant CA7 assessed as association rate constant after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed