BDBM50163864 3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (3a)::CHEMBL3799296::carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 3

SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12

InChI Key InChIKey=XGDKZWDANQETLY-UHFFFAOYSA-N

Data  25 Kd  14 Koff  6 Kon

  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 16 hits for monomerid = 50163864   

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

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Affinity DataKd:  520nMAssay Description:Binding affinity to human CA9 catalytic domain expressed in mammalian expression system assessed as thermodynamic equilibrium constant at pH 7 by SPR...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Affinity DataKon:  0.510M-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))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Affinity DataKon:  0.400M-1s-1Assay Description:Binding affinity to human CA9 catalytic domain expressed in mammalian expression system assessed as intrinsic dissociation rate constant at pH 7 by S...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Affinity DataKon:  0.0800M-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 intrinsic di...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Affinity DataKd:  1.30nMAssay Description:Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Affinity DataKon:  0.620M-1s-1Assay Description:Binding affinity to human full length His-tagged CA2 (1 to 260 residues) expressed in Escherichia coli BL21(DE3) assessed as dissociation rate consta...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Affinity DataKd:  2.10nMAssay 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(Equus caballus)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Affinity DataKd:  200nMAssay 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 2(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Affinity DataKd:  1.30nMAssay 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 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Affinity DataKd:  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 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Affinity DataKon:  0.400M-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))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Affinity DataKd:  2.30nMAssay 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 13(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Affinity DataKd:  1.20E+3nMAssay Description:Binding affinity to human N-terminal full length His-tagged CA13 (1 to 262 residues) expressed in Escherichia coli BL21(DE3) assessed as thermodynami...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Affinity DataKon:  0.650M-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 13(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Affinity DataKon:  0.0800M-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 1(Macaca mulatta)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Affinity DataKon:  0.790M-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