BDBM50163865 CHEMBL3799577::carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 14

SMILES CNc1c(F)c(c(F)c(F)c1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O

InChI Key InChIKey=WQFYXDRMKJAGFX-UHFFFAOYSA-N

Data  17 Kd  11 Koff  5 Kon

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50163865   

TargetCarbonic anhydrase 1(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKoff:  3.90E+5s-1Assay Description:Binding affinity to human recombinant CA1 expressed in Escherichia coli assessed as association rate constant after 30 secs by surface plasmon resona...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 1(Rhesus macaque)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.0100M-1s-1Assay Description:Binding affinity to CA1 (unknown origin) assessed as dissociation rate constant at pH 7 by SPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 9(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKoff:  6.50E+6s-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(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKoff:  1.50E+6s-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 2(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKoff:  1.30E+6s-1Assay Description:Binding affinity to human recombinant CA2 expressed in Escherichia coli assessed as association rate constant after 30 secs by surface plasmon resona...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCarbonic anhydrase 12(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.140M-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(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  95nMAssay 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(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  45nMAssay 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 1(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.0100M-1s-1Assay Description:Binding affinity to human recombinant CA1 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 13(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.420nMAssay Description:Binding affinity to human recombinant CA13 by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 12(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | 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(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  25nMAssay Description:Binding affinity to human recombinant CA1 expressed in Escherichia coli after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 1(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  25nMAssay 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 2(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.00820M-1s-1Assay Description:Binding affinity to human recombinant CA2 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCarbonic anhydrase 7(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  3.10nMAssay 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(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.100M-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(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  6.40nMAssay Description:Binding affinity to human recombinant CA2 expressed in Escherichia coli after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCarbonic anhydrase 2(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  2.40nMAssay 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 ArticlePubMedPDB3D3D Structure (crystal)

TargetCarbonic anhydrase 9(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  16nMAssay 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(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  2nMAssay 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(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.0130M-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 12(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.140M-1s-1Assay Description:Binding affinity to CA12 (unknown origin) assessed as dissociation rate constant at pH 7 by SPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 9(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.580nMAssay Description:Binding affinity to human CA9 catalytic domain expressed in mammalian expression system assessed as intrinsic thermodynamic equilibrium constant at p...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 2(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.00820M-1s-1Assay Description:Displacement of binding of [3H]-BRL 43694 to 5-hydroxytryptamine 3 receptor in rat cerebral cortexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCarbonic anhydrase 7(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.170nMAssay Description:Binding affinity to CA7 (unknown origin) assessed as intrinsic thermodynamic equilibrium constant at pH 7 by SPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 1(Horse)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  4.30nMAssay Description:Binding affinity to CA1 (unknown origin) assessed as intrinsic thermodynamic equilibrium constant at pH 7 by SPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 12(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  5nMAssay Description:Binding affinity to CA12 (unknown origin) assessed as intrinsic thermodynamic equilibrium constant at pH 7 by SPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 2(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.390nMAssay Description:Binding affinity to human full length His-tagged CA2 (1 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic thermodynamic ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCarbonic anhydrase 13(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.450nMAssay Description:Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as intrinsic th...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 9(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.100M-1s-1Assay Description:Binding affinity to human CA9 catalytic domain expressed in mammalian expression system assessed as dissociation rate constant at pH 7 by SPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 13(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  1.00E-8M-1s-1Assay Description:Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as dissociation...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 7(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.000900M-1s-1Assay Description:Binding affinity to CA7 (unknown origin) assessed as dissociation rate constant at pH 7 by SPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCarbonic anhydrase 7(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163865(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKoff:  2.90E+5s-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