BDBM50163863 4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide (2a)::CHEMBL3798446::carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 2

SMILES c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)Cl)S(=O)(=O)N

InChI Key InChIKey=SWJLGRBJIPSPCI-UHFFFAOYSA-N

Data  23 Kd  12 Koff  6 Kon

PDB links: 2 PDB IDs match this monomer.

  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 41 hits for monomerid = 50163863   

TargetCarbonic anhydrase 2(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKon:  0.00460M-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 Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  5nMAssay Description:Binding affinity to human recombinant CA1 expressed in Escherichia coli by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKon:  0.00460M-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 Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKon:  0.140M-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 Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  47nMAssay Description:Binding affinity to human recombinant CA9 catalytic domain after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  6nMAssay 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 Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  3.30nMAssay Description:Binding affinity to human recombinant CA2 expressed in Escherichia coli by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 7(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKon:  0.0170M-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 Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
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 Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKon:  0.0170M-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 Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 9(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  0.600nMAssay 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 Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMed
TargetCarbonic anhydrase 13(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  8nMAssay Description:Binding affinity to human recombinant CA13 by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 7(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  0.330nMAssay 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 Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Horse)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  1.40nMAssay 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 Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  8.40nMAssay 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 Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 2(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  0.130nMAssay 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 Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKon:  1.40M-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 Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMed
TargetCarbonic anhydrase 13(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  0.190nMAssay 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 Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 7(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKon:  0.170M-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 Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMed
TargetCarbonic anhydrase 13(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKon:  0.00200M-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 Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 1(Rhesus macaque)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKon:  0.00750M-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 Depth
Date in BDB:
10/23/2019
Entry Details Article
PubMed
TargetCarbonic anhydrase 13(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  19nMpH: 7.0Assay Description:The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 2(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKoff:  7.70E+5s-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 Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 7(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKoff:  9.80E+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 Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKoff:  3.10E+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 Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKoff:  3.80E+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 Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 13(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKoff:  6.30E+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 Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 1(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  12nMpH: 7.0Assay Description:The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  8.30nMpH: 7.0Assay Description:The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 7(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  4nMpH: 7.0Assay Description:The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  833nMpH: 7.0Assay Description:The thermal shift assay (TSA) measurements were performed in a Corbett Rotor-Gene 6000 (QIAGEN Rotor-Gene Q, Sydney, Australia) instrument using the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 1(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKoff:  3.30E+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 Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 7(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  17nMAssay Description:Binding affinity to human recombinant CA7 after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKon:  0.170M-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 Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 12(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  450nMAssay Description:Binding affinity to human recombinant CA12 catalytic domain after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 12(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  330nMAssay Description:Binding affinity to human recombinant CA12 catalytic domain by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 7(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  1.5nMAssay Description:Binding affinity to human recombinant CA7 by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKon:  0.00750M-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 Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  22nMAssay 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 Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 13(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKon:  0.00200M-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 Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 13(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163863(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Affinity DataKd:  3.20nMAssay Description:Binding affinity to human recombinant CA13 after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/10/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)