BDBM50163858 CHEMBL2443188::carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 7

SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1

InChI Key InChIKey=ZQEDEEFNLDNUEW-UHFFFAOYSA-N

Data  36 Kd  18 Koff  12 Kon

PDB links: 4 PDB IDs match 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 12 hits for monomerid = 50163858   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163858(CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.110nMAssay 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
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163858(CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.260M-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 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163858(CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.100nMAssay 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 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163858(CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.890nMAssay 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 1(Equus caballus)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163858(CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.760nMAssay 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
LigandPNGBDBM50163858(CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.00420M-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
TargetCarbonic anhydrase 1(Macaca mulatta)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163858(CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.00840M-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 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163858(CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.320M-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
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163858(CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  0.170nMAssay 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
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163858(CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKd:  1.80nMAssay 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
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163858(CHEMBL2443188 | 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
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163858(CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...)
Affinity DataKon:  0.00460M-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