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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 10860   

TargetCarbonic anhydrase 2(Homo sapiens (Human))
Kochi Medical School

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 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 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