BDBM12414 CHEMBL27601::benzenesulfonamide::hCA inhibitor, 6

SMILES c1ccc(cc1)S(=O)(=O)N

InChI Key InChIKey=KHBQMWCZKVMBLN-UHFFFAOYSA-N

Data  14 KI  2 IC50  10 Kd

PDB links: 9 PDB IDs match 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 26 hits for monomerid = 12414   

TargetCarbonic anhydrase 2(Human)
University of Pennsylvania

LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKd:  660nMpH: 7.0 T: 2°CAssay Description:The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2006
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 1(Human)
University of Pennsylvania

LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKd:  4.03E+3nMpH: 7.0 T: 2°CAssay Description:The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2006
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
University of Pennsylvania

LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKd:  7.14E+3nMpH: 7.0Assay Description:Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 1/2/5B, mitochondrial(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataIC50: 2.00E+3nMAssay Description:In vitro inhibition of crude dog red blood cell carbonic anhydraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 2(Human)
University of Pennsylvania

LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKd:  1.79E+3nMpH: 7.0Assay Description:Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 7(Human)
Vilnius University Institute of Biotechnology

Curated by ChEMBL
LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKd:  6.67E+3nMpH: 7.0Assay Description:Binding affinity to human recombinant CA7 at 37 degC and pH 7.0 by thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Pennsylvania

LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKd:  1.15E+6nMAssay Description:Binding affinity to GST-fused human carbonic anhydrase-2 expressed in Escherichia coli BL21 codon plus cells assessed as dissociation constant by SPR...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 2(Human)
University of Pennsylvania

LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKd:  1.14E+6nMAssay Description:Binding affinity to GST-fused human carbonic anhydrase-2 expressed in Escherichia coli BL21 codon plus cells assessed as steady state dissociation co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPlatelet-activating factor acetylhydrolase(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKd:  3.40E+6nMAssay Description:Binding affinity to N-terminal His6-tagged Lp-PLA2 (47 to 429 residues) (unknown origin) expressed in sf21 insect cells by ITC assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPlatelet-activating factor acetylhydrolase(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of human recombinant Lp-PLA2 using PED6 as substrate preincubated for 30 mins followed by substrate addition measured for 20 mins by fluor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 12(Human)
Vilnius University Institute of Biotechnology

Curated by ChEMBL
LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKd:  1.25E+4nMpH: 7.0Assay Description:Binding affinity to human recombinant CA12 at 37 degC and pH 7.0 by thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 13(Human)
Vilnius University Institute of Biotechnology

Curated by ChEMBL
LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKd:  1.00E+4nMpH: 7.0Assay Description:Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by thermal shift assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Bovine)
The University of Tokushima Graduate School

Curated by ChEMBL
LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKi:  178nMAssay Description:Binding affinity to bovine carbonic anhydrase 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Bovine)
The University of Tokushima Graduate School

Curated by ChEMBL
LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKi:  178nMAssay Description:Binding affinity to bovine carbonic anhydrase 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2013
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Pennsylvania

LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKi:  305nMAssay Description:Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 2(Human)
University of Pennsylvania

LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKi:  430nMAssay Description:Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 2(Human)
University of Pennsylvania

LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKi:  1.10E+3nMAssay Description:Inhibition of cytosolic carbonic anhydrase 2 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 2(Human)
University of Pennsylvania

LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKi:  1.10E+3nM ΔG°:  -8.12kcal/molepH: 7.4 T: 2°CAssay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 4(Human)
Artvin£Oruh University

Curated by ChEMBL
LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKi:  1.12E+3nMAssay Description:Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 6(Human)
Artvin£Oruh University

Curated by ChEMBL
LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKi:  2.97E+3nMAssay Description:Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
University of Pennsylvania

LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKi:  3.30E+3nMAssay Description:Inhibition of carbonic anhydrase 1 in human RBC cells by SDS-PAGE/fluorescence gel imagingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/19/2011
Entry Details Article
PubMed
TargetCarbonic anhydrase 6(Human)
Artvin£Oruh University

Curated by ChEMBL
LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKi:  4.11E+3nM ΔG°:  -7.34kcal/molepH: 7.4 T: 2°CAssay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2017
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Pennsylvania

LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKi:  5.87E+3nMAssay Description:Inhibition of human esterase activity of carbonic anhydrase 2 using 4-nitrophenylacetate as substrate after 3 mins by spectrophotometric analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCarbonic anhydrase 1(Human)
University of Pennsylvania

LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKi:  1.24E+4nMAssay Description:Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylacetate as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
University of Pennsylvania

LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKi:  4.00E+4nMAssay Description:Inhibition of cytosolic carbonic anhydrase 1 esterase activity isolated from human serum using 4-nitrophenylacetate as substrate measured over 3 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2016
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
University of Pennsylvania

LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKi:  4.00E+4nM ΔG°:  -6.00kcal/molepH: 7.4 T: 2°CAssay Description:Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/10/2017
Entry Details Article
PubMed