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  33 Kd  6 Koff  6 Kon

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 45 hits for monomerid = 50163864   

TargetCarbonic anhydrase 1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKoff:  1.80E+4s-1Assay Description:The GSK3beta primary screen was conducted in assay ready 1536 plates (Aurora 29847) that contain 2.5 mL/well of 10 mM compound. Human GSK3beta as a G...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  5.20nMAssay 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
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKoff:  4.40E+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
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKoff:  1.30E+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
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKoff:  7.20E+4s-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
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKoff:  9.30E+4s-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
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  4.35E+3nMpH: 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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  4.34E+3nMpH: 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
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  6.67E+3nMpH: 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
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  1.25E+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
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  2.38E+3nMpH: 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
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  1.50E+3nMAssay Description:Binding affinity to human recombinant CA7 after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKon:  0.512M-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
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  7.10E+3nMAssay Description:Binding affinity to human recombinant CA12 catalytic domain after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  4.30E+3nMAssay Description:Binding affinity to human recombinant CA12 catalytic domain by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  2.90E+3nMAssay Description:Binding affinity to human recombinant CA7 by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKon:  0.00790M-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
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKon:  0.0490M-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
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  520nMAssay Description:Binding affinity to human recombinant CA13 after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  910nMAssay Description:Binding affinity to human recombinant CA13 by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  4.40E+4nMAssay 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
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  1.70E+3nMAssay 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))
Vilnius University

LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKon:  0.620M-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
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKon:  0.310M-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
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  240nMAssay Description:Binding affinity to human recombinant CA9 catalytic domain after 30 secs by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  760nMAssay 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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  1.70E+3nMAssay Description:Binding affinity to human recombinant CA2 expressed in Escherichia coli by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKon:  0.650M-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
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  200nMAssay Description:Binding affinity to human recombinant CA9 catalytic domain by fluorescence-based thermal shift assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  5.10nMAssay 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 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  0.400nMAssay 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
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  0.0800nMAssay 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
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  1.30nMAssay Description:Inhibition of Topoisomerase I by cleavage complex formation in human HL-60 cellsMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  6.20nMAssay 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 7(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
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
TargetCarbonic anhydrase 1(Equus caballus)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  2nMAssay 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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
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
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  1nMAssay 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 9(Homo sapiens (Human))
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  0.400nMAssay 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
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
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
TargetCarbonic anhydrase 13(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  1.20nMAssay 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
TargetCarbonic anhydrase 7(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  6.5nMAssay Description:Binding affinity to CA7 (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))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  0.0800nMAssay 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 1(Macaca mulatta)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKd:  7.90nMAssay Description:Binding affinity to CA1 (unknown origin) assessed as dissociation rate constant at pH 7 by SPR assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Vilnius University

LigandPNGBDBM50163864(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
Affinity DataKoff:  8.20E+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