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BDBM35726 sulfonamide deriv., 5a

SMILES: NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1

InChI Key: InChIKey=ZQWXOBLMDBJRLY-UHFFFAOYSA-N

Data: 12 KI

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 35726   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM35726
PNG
(sulfonamide deriv., 5a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)
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6.20n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 19: 3170-3 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM35726
PNG
(sulfonamide deriv., 5a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)
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6.20n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 19: 3732-8 (2011)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM35726
PNG
(sulfonamide deriv., 5a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)
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7 -11.1n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM35726
PNG
(sulfonamide deriv., 5a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)
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7.20 -11.1n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM35726
PNG
(sulfonamide deriv., 5a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)
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50 -9.95n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM35726
PNG
(sulfonamide deriv., 5a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)
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50n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 19: 3170-3 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM35726
PNG
(sulfonamide deriv., 5a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)
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50n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 19: 3732-8 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM35726
PNG
(sulfonamide deriv., 5a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)
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61n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 19: 3732-8 (2011)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35726
PNG
(sulfonamide deriv., 5a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)
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61 -9.84n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM35726
PNG
(sulfonamide deriv., 5a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)
PDB
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PubMed
61n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 19: 3170-3 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM35726
PNG
(sulfonamide deriv., 5a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)
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PubMed
125n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 19: 3732-8 (2011)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (human))
BDBM35726
PNG
(sulfonamide deriv., 5a)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2cccs2)cc1
Show InChI InChI=1S/C12H12N2O3S2/c13-19(16,17)11-5-3-9(4-6-11)14-12(15)8-10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H2,13,16,17)
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PubMed
8.00E+5n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 3 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 19: 3732-8 (2011)

More data for this
Ligand-Target Pair