BDBM50163860 CHEMBL3797893::carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 16

SMILES NS(=O)(=O)c1c(F)c(F)c(N2CCCCC2)c(F)c1F

InChI Key InChIKey=VVFJHOCIYNHEFY-UHFFFAOYSA-N

Data  16 Kd  10 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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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50163860   

TargetCarbonic anhydrase 7(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKoff:  2.60E+6s-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
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.0710M-1s-1Assay Description:Binding affinity towards norepinephrine transporter by displacement of [3H]nisoxetine radioligand from rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKoff:  8.80E+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 13(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKoff:  9.20E+5s-1Assay Description:Binding affinity to human recombinant CA13 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(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKoff:  1.40E+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 ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  20nMAssay 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
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.0710M-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(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.0410M-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
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  46nMAssay 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
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  27nMAssay 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
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.0110M-1s-1Assay Description:Binding affinity to human recombinant CA13 assessed as dissociation rate constant 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
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  11nMAssay Description:Binding affinity to human recombinant CA13 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
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  4nMAssay 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(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  33nMAssay 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
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.0290nMAssay Description:Binding affinity to human recombinant CA1 expressed in Escherichia coli by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.00930M-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 ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  5.90nMAssay 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
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.150M-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
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  6.80nMAssay 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 ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  4.5nMAssay 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
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  10nMAssay 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 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.0410M-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(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.170nMAssay 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(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.00930M-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 ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.660nMAssay 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 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  1.10nMAssay 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(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.190nMAssay 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 ArticlePubMed
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.910nMAssay 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(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.150M-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(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.0110M-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 9(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163860(CHEMBL3797893 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKoff:  1.50E+7s-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