BDBM10866 4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide::CHEMBL418::aromatic/heteroaromatic sulfonamide 11

SMILES Nc1cc(c(cc1S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F

InChI Key InChIKey=KRVABEGPNKGLOT-UHFFFAOYSA-N

Data  102 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 10866   

TargetCarbonic anhydrase 9(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  24nMAssay 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
LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  24nMAssay Description:Inhibitory constant against catalytic domain of human carbonic anhydrase IXMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 12(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  45nMAssay Description:Inhibitory constant against catalytic domain of human carbonic anhydrase XIIMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  63nMpH: 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
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  63nMAssay Description:Inhibition of human recombinant cytosolic isozyme CA II by stopped-flow CO2 hydrase methodMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  63nMAssay Description:Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  63nM ΔG°:  -9.82kcal/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 2(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  63nMAssay Description:Inhibition of human recombinant CA2More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  63nMAssay 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(Helicobacter pylori (strain G27))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  402nMAssay Description:Inhibition of Helicobacter pylori recombinant CAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCARBONIC ANHYDRASE(Helicobacter pylori J99)
Kochi Medical School

LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  412nMAssay 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
LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  680nMAssay 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
LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  955nMAssay Description:Inhibition of full length human recombinant CA VIMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase(Mycobacterium tuberculosis)
Kochi Medical School

LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  2.35E+3nM ΔG°:  -7.55kcal/molepH: 8.3 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

LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  5.80E+3nM ΔG°:  -7.14kcal/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

LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  5.80E+3nMAssay Description:Inhibition of human carbonic anhydrase-1 by stopped-flow CO2 hydration assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Kochi Medical School

LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  5.80E+3nMpH: 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

LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  5.80E+3nMAssay Description:Inhibition of human recombinant CA1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Kochi Medical School

LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  5.80E+3nMAssay 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 5B, mitochondrial(Homo sapiens (Human))
Kochi Medical School

LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  6.56E+3nMAssay 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
TargetBeta-carbonic anhydrase 1(Mycobacterium tuberculosis)
Kochi Medical School

LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  8.10E+3nM ΔG°:  -6.82kcal/molepH: 8.3 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 5A, mitochondrial(Homo sapiens (Human))
Kochi Medical School

LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  9.40E+3nMAssay 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 3(Homo sapiens (Human))
Kochi Medical School

Curated by ChEMBL
LigandPNGBDBM10866(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Affinity DataKi:  1.28E+6nMAssay Description:Inhibition of human recombinant CA 3 assessed as CO2 hydration by stopped flow kinetic assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed