BDBM11053 CHEMBL386049::N-(4-sulfamoylphenyl)-2-sulfanylbenzamide::reduced monomeric thio of compound 5a::reduced thio H5a

SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1

InChI Key InChIKey=MRLVIVXGUGNENL-UHFFFAOYSA-N

Data  10 KI

PDB links: 1 PDB ID matches this monomer.

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 10 hits for monomerid = 11053   

TargetCarbonic anhydrase 12(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM11053(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
Affinity DataKi:  6.40nMAssay Description:Inhibition of human CA12 by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM11053(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
Affinity DataKi:  9.10nMAssay Description:Inhibition of human CA9 by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM11053(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
Affinity DataKi:  9.10nMAssay 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
TargetCarbonic anhydrase 9(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM11053(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
Affinity DataKi:  9.10nMAssay Description:Inhibition of human carbonic anhydrase 9 by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Istituto di Biostrutture e Bioimmagini-CNR

LigandPNGBDBM11053(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
Affinity DataKi:  16nMAssay 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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Istituto di Biostrutture e Bioimmagini-CNR

LigandPNGBDBM11053(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
Affinity DataKi:  16nMAssay Description:Inhibition of human carbonic anhydrase 2 by stopped flow techniqueMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5A, mitochondrial(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM11053(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
Affinity DataKi:  79nMAssay Description:Inhibition of human CA5A by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 5B, mitochondrial(Homo sapiens (Human))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM11053(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
Affinity DataKi:  114nMAssay Description:Inhibition of human CA5B by stopped-flow CO2 hydrase assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Istituto di Biostrutture e Bioimmagini-CNR

LigandPNGBDBM11053(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
Affinity DataKi:  276nM ΔG°:  -8.85kcal/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
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Istituto di Biostrutture e Bioimmagini-CNR

LigandPNGBDBM11053(CHEMBL386049 | N-(4-sulfamoylphenyl)-2-sulfanylben...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1
Show InChI InChI=1S/C13H12N2O3S2/c14-20(17,18)10-7-5-9(6-8-10)15-13(16)11-3-1-2-4-12(11)19/h1-8,19H,(H,15,16)(H2,14,17,18)
Affinity DataKi:  276nMAssay Description:Inhibition of human carbonic anhydrase 1 by stopped flow techniqueMore data for this Ligand-Target Pair