BDBM10860 4-(aminomethyl)benzene-1-sulfonamide::CHEMBL419::MAFENIDE::aromatic sulfonamide compound 6::aromatic/heteroaromatic sulfonamide 5::hCA inhibitor, 9

SMILES NCc1ccc(cc1)S(N)(=O)=O

InChI Key InChIKey=TYMRLRRVMHJFTF-UHFFFAOYSA-N

Data  162 KI  7 IC50

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 18 hits for monomerid = 10860   

TargetCarbonic anhydrase 12(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Affinity DataKi:  0.300nMAssay Description:Inhibitory constant against catalytic domain of human carbonic anhydrase XIIMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Affinity DataKi:  103nMAssay Description:Inhibition of catalytic domain of human recombinant CA IXMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Affinity DataKi:  103nMAssay Description:Inhibitory constant against catalytic domain of human carbonic anhydrase IXMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Affinity DataKi:  170nMAssay Description:Inhibition of human recombinant CA2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Affinity DataKi:  170nMAssay Description:Inhibition of human recombinant cytosolic isozyme CA II by stopped-flow CO2 hydrase methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Affinity DataKi:  170nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Affinity DataKi:  170nM ΔG°:  -9.23kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Affinity DataKi:  170nMpH: 7.5Assay Description:Inhibition of human recombinant carbonic anhydrase 2 at pH 7.5 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase(Helicobacter pylori (strain G27))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Affinity DataKi:  830nMAssay Description:Inhibition of Helicobacter pylori recombinant CAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCARBONIC ANHYDRASE(Helicobacter pylori J99)
Kochi Medical School

LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Affinity DataKi:  873nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 14(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Affinity DataKi:  3.20E+3nMAssay Description:Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 6(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Affinity DataKi:  4.80E+3nMAssay Description:Inhibition of full length human recombinant CA VIMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Kochi Medical School

LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Affinity DataKi:  1.23E+4nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Kochi Medical School

LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Affinity DataKi:  2.50E+4nM ΔG°:  -6.27kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Kochi Medical School

LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Affinity DataKi:  2.50E+4nMpH: 7.5Assay Description:Inhibition of human recombinant carbonic anhydrase 1 at pH 7.5 by stopped flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Kochi Medical School

LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Affinity DataKi:  2.50E+4nMAssay Description:Inhibition of human recombinant CA1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Kochi Medical School

LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Affinity DataKi:  2.50E+4nMAssay Description:Inhibition of human recombinant cytosolic isozyme CA I by stopped-flow CO2 hydrase methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Kochi Medical School

LigandPNGBDBM10860(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Affinity DataKi:  2.76E+4nMAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed