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16 similar compounds to monomer 33280

Wt: 332.4
BDBM33282
Wt: 209.3
BDBM33279
Wt: 304.3
BDBM33281
Wt: 251.3
BDBM50136096
Wt: 265.4
BDBM50136099
Wt: 321.5
BDBM50136100
Wt: 349.5
BDBM50136084
Wt: 167.2
BDBM50136087
Purchase
Wt: 153.2
BDBM50136088
Wt: 293.4
BDBM50136089
Wt: 290.3
BDBM50154471
Purchase
Wt: 416.5
BDBM50159803
Wt: 276.3
BDBM50159805
Wt: 360.4
BDBM50159810
Wt: 209.3
BDBM50428816
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 89 hits for monomerid = 33282,33279,33281,50136096,50136099,50136100,50136084,50136087,50136088,50136089,50154471,50159803,50159805,50159810,50428816   
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 2


(Homo sapiens (human))
BDBM33279
PNG
(CHEMBL24261 | aliphatic sulfamate, 1)
Show SMILES CCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
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2.60 -11.6n/an/an/an/an/a7.523



CNR



Assay 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...


J Med Chem 52: 5990-8 (2009)

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


(Homo sapiens (human))
BDBM33279
PNG
(CHEMBL24261 | aliphatic sulfamate, 1)
Show SMILES CCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
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2.70n/an/an/an/an/an/an/an/a



Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


J Med Chem 46: 2197-204 (2003)

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


(Homo sapiens (human))
BDBM33279
PNG
(CHEMBL24261 | aliphatic sulfamate, 1)
Show SMILES CCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
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3.5n/an/an/an/an/an/an/an/a



Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase I


J Med Chem 46: 2197-204 (2003)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM33279
PNG
(CHEMBL24261 | aliphatic sulfamate, 1)
Show SMILES CCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
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PubMed
3.70 -11.4n/an/an/an/an/a7.523



CNR



Assay 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...


J Med Chem 52: 5990-8 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM33281
PNG
(CHEMBL182455 | bis-sulfamate, 3)
Show SMILES NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H20N2O6S2/c9-17(11,12)15-7-5-3-1-2-4-6-8-16-18(10,13)14/h1-8H2,(H2,9,11,12)(H2,10,13,14)
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against membrane bound tumor associated human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 579-84 (2005)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM33281
PNG
(CHEMBL182455 | bis-sulfamate, 3)
Show SMILES NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H20N2O6S2/c9-17(11,12)15-7-5-3-1-2-4-6-8-16-18(10,13)14/h1-8H2,(H2,9,11,12)(H2,10,13,14)
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4n/an/an/an/an/an/an/an/a



CNR



Assay 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...


J Med Chem 52: 5990-8 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50136096
PNG
(CHEMBL356681 | Sulfamic acid undecyl ester)
Show SMILES CCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C11H25NO3S/c1-2-3-4-5-6-7-8-9-10-11-15-16(12,13)14/h2-11H2,1H3,(H2,12,13,14)
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4.70n/an/an/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II.


J Med Chem 46: 5471-7 (2003)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM33282
PNG
(CHEMBL171476 | bis-sulfamate, 4)
Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)
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7n/an/an/an/an/an/an/an/a



CNR



Assay 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...


J Med Chem 52: 5990-8 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM33279
PNG
(CHEMBL24261 | aliphatic sulfamate, 1)
Show SMILES CCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
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7n/an/an/an/an/an/an/an/a



CNR



Assay 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...


J Med Chem 52: 5990-8 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM33282
PNG
(CHEMBL171476 | bis-sulfamate, 4)
Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)
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7n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against membrane bound tumor associated human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 579-84 (2005)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM33281
PNG
(CHEMBL182455 | bis-sulfamate, 3)
Show SMILES NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H20N2O6S2/c9-17(11,12)15-7-5-3-1-2-4-6-8-16-18(10,13)14/h1-8H2,(H2,9,11,12)(H2,10,13,14)
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7.90n/an/an/an/an/an/an/an/a



CNR



Assay 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...


J Med Chem 52: 5990-8 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50154471
PNG
(CHEMBL182440 | Sulfamic acid 7-sulfamoyloxy-heptyl...)
Show SMILES NS(=O)(=O)OCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C7H18N2O6S2/c8-16(10,11)14-6-4-2-1-3-5-7-15-17(9,12)13/h1-7H2,(H2,8,10,11)(H2,9,12,13)
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic human carbonic anhydrase II


Bioorg Med Chem Lett 15: 579-84 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM33282
PNG
(CHEMBL171476 | bis-sulfamate, 4)
Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)
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8.20n/an/an/an/an/an/an/an/a



CNR



Assay 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...


J Med Chem 52: 5990-8 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50159805
PNG
(CHEMBL182276 | Sulfamic acid 6-sulfamoyloxy-hexyl ...)
Show SMILES NS(=O)(=O)OCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C6H16N2O6S2/c7-15(9,10)13-5-3-1-2-4-6-14-16(8,11)12/h1-6H2,(H2,7,9,10)(H2,8,11,12)
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8.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic human carbonic anhydrase II


Bioorg Med Chem Lett 15: 579-84 (2005)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50136099
PNG
(CHEMBL153027 | Sulfamic acid dodecyl ester)
Show SMILES CCCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C12H27NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)
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9n/an/an/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX.


J Med Chem 46: 5471-7 (2003)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50136099
PNG
(CHEMBL153027 | Sulfamic acid dodecyl ester)
Show SMILES CCCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C12H27NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)
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10n/an/an/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II.


J Med Chem 46: 5471-7 (2003)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50154471
PNG
(CHEMBL182440 | Sulfamic acid 7-sulfamoyloxy-heptyl...)
Show SMILES NS(=O)(=O)OCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C7H18N2O6S2/c8-16(10,11)14-6-4-2-1-3-5-7-15-17(9,12)13/h1-7H2,(H2,8,10,11)(H2,9,12,13)
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10.1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against membrane bound tumor associated human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 579-84 (2005)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50159805
PNG
(CHEMBL182276 | Sulfamic acid 6-sulfamoyloxy-hexyl ...)
Show SMILES NS(=O)(=O)OCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C6H16N2O6S2/c7-15(9,10)13-5-3-1-2-4-6-14-16(8,11)12/h1-6H2,(H2,7,9,10)(H2,8,11,12)
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13.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against membrane bound tumor associated human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 579-84 (2005)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM33281
PNG
(CHEMBL182455 | bis-sulfamate, 3)
Show SMILES NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H20N2O6S2/c9-17(11,12)15-7-5-3-1-2-4-6-8-16-18(10,13)14/h1-8H2,(H2,9,11,12)(H2,10,13,14)
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14.6 -10.6n/an/an/an/an/a7.523



CNR



Assay 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...


J Med Chem 52: 5990-8 (2009)

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


(Homo sapiens (human))
BDBM33281
PNG
(CHEMBL182455 | bis-sulfamate, 3)
Show SMILES NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H20N2O6S2/c9-17(11,12)15-7-5-3-1-2-4-6-8-16-18(10,13)14/h1-8H2,(H2,9,11,12)(H2,10,13,14)
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14.6n/an/an/an/an/an/an/an/a



Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II by spectrophotometry at pH 7.5


Bioorg Med Chem 19: 1172-8 (2011)

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


(Homo sapiens (human))
BDBM33281
PNG
(CHEMBL182455 | bis-sulfamate, 3)
Show SMILES NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H20N2O6S2/c9-17(11,12)15-7-5-3-1-2-4-6-8-16-18(10,13)14/h1-8H2,(H2,9,11,12)(H2,10,13,14)
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14.6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic human carbonic anhydrase II


Bioorg Med Chem Lett 15: 579-84 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50136089
PNG
(CHEMBL152907 | Sulfamic acid tetradecyl ester)
Show SMILES CCCCCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C14H31NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H2,15,16,17)
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15n/an/an/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX.


J Med Chem 46: 5471-7 (2003)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50136096
PNG
(CHEMBL356681 | Sulfamic acid undecyl ester)
Show SMILES CCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C11H25NO3S/c1-2-3-4-5-6-7-8-9-10-11-15-16(12,13)14/h2-11H2,1H3,(H2,12,13,14)
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17n/an/an/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX.


J Med Chem 46: 5471-7 (2003)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50136100
PNG
(CHEMBL152962 | Sulfamic acid hexadecyl ester)
Show SMILES CCCCCCCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C16H35NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H2,17,18,19)
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22n/an/an/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX.


J Med Chem 46: 5471-7 (2003)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM33282
PNG
(CHEMBL171476 | bis-sulfamate, 4)
Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)
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24.5 -10.3n/an/an/an/an/a7.523



CNR



Assay 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...


J Med Chem 52: 5990-8 (2009)

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


(Homo sapiens (human))
BDBM33282
PNG
(CHEMBL171476 | bis-sulfamate, 4)
Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)
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24.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic human carbonic anhydrase II


Bioorg Med Chem Lett 15: 579-84 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM33279
PNG
(CHEMBL24261 | aliphatic sulfamate, 1)
Show SMILES CCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
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25n/an/an/an/an/an/an/an/a



CNR



Assay 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...


J Med Chem 52: 5990-8 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM33279
PNG
(CHEMBL24261 | aliphatic sulfamate, 1)
Show SMILES CCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
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25n/an/an/an/an/an/an/an/a



Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Inhibitory concentration against catalytic domain of human cloned carbonic anhydrase IX.


J Med Chem 46: 2197-204 (2003)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50159810
PNG
(CHEMBL361421 | Sulfamic acid 12-sulfamoyloxy-dodec...)
Show SMILES NS(=O)(=O)OCCCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C12H28N2O6S2/c13-21(15,16)19-11-9-7-5-3-1-2-4-6-8-10-12-20-22(14,17)18/h1-12H2,(H2,13,15,16)(H2,14,17,18)
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32.1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against membrane bound tumor associated human carbonic anhydrase IX


Bioorg Med Chem Lett 15: 579-84 (2005)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50136087
PNG
(CHEMBL358643 | Sulfamic acid pentyl ester)
Show SMILES CCCCCOS(N)(=O)=O
Show InChI InChI=1S/C5H13NO3S/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3,(H2,6,7,8)
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58n/an/an/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II.


J Med Chem 46: 5471-7 (2003)

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


(Homo sapiens (human))
BDBM50136088
PNG
(CHEMBL150652 | Sulfamic acid butyl ester)
Show SMILES CCCCOS(N)(=O)=O
Show InChI InChI=1S/C4H11NO3S/c1-2-3-4-8-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)
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70n/an/an/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II.


J Med Chem 46: 5471-7 (2003)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM33279
PNG
(CHEMBL24261 | aliphatic sulfamate, 1)
Show SMILES CCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
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76.6n/an/an/an/an/an/an/an/a



CNR



Assay 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...


J Med Chem 52: 5990-8 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM33281
PNG
(CHEMBL182455 | bis-sulfamate, 3)
Show SMILES NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H20N2O6S2/c9-17(11,12)15-7-5-3-1-2-4-6-8-16-18(10,13)14/h1-8H2,(H2,9,11,12)(H2,10,13,14)
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79.6n/an/an/an/an/an/an/an/a



CNR



Assay 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...


J Med Chem 52: 5990-8 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM33279
PNG
(CHEMBL24261 | aliphatic sulfamate, 1)
Show SMILES CCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
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79.9 -9.61n/an/an/an/an/a7.523



CNR



Assay 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...


J Med Chem 52: 5990-8 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM33281
PNG
(CHEMBL182455 | bis-sulfamate, 3)
Show SMILES NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H20N2O6S2/c9-17(11,12)15-7-5-3-1-2-4-6-8-16-18(10,13)14/h1-8H2,(H2,9,11,12)(H2,10,13,14)
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84.1 -9.58n/an/an/an/an/a7.523



CNR



Assay 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...


J Med Chem 52: 5990-8 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50159810
PNG
(CHEMBL361421 | Sulfamic acid 12-sulfamoyloxy-dodec...)
Show SMILES NS(=O)(=O)OCCCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C12H28N2O6S2/c13-21(15,16)19-11-9-7-5-3-1-2-4-6-8-10-12-20-22(14,17)18/h1-12H2,(H2,13,15,16)(H2,14,17,18)
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84.2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic human carbonic anhydrase II


Bioorg Med Chem Lett 15: 579-84 (2005)

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


(Homo sapiens (human))
BDBM50136089
PNG
(CHEMBL152907 | Sulfamic acid tetradecyl ester)
Show SMILES CCCCCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C14H31NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H2,15,16,17)
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87n/an/an/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II.


J Med Chem 46: 5471-7 (2003)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM33282
PNG
(CHEMBL171476 | bis-sulfamate, 4)
Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)
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91.2 -9.53n/an/an/an/an/a7.523



CNR



Assay 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...


J Med Chem 52: 5990-8 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM33282
PNG
(CHEMBL171476 | bis-sulfamate, 4)
Show SMILES NS(=O)(=O)OCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C10H24N2O6S2/c11-19(13,14)17-9-7-5-3-1-2-4-6-8-10-18-20(12,15)16/h1-10H2,(H2,11,13,14)(H2,12,15,16)
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92.3n/an/an/an/an/an/an/an/a



CNR



Assay 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...


J Med Chem 52: 5990-8 (2009)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50136100
PNG
(CHEMBL152962 | Sulfamic acid hexadecyl ester)
Show SMILES CCCCCCCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C16H35NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h2-16H2,1H3,(H2,17,18,19)
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97n/an/an/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II.


J Med Chem 46: 5471-7 (2003)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50136084
PNG
(CHEMBL450930 | Sulfamic acid octadecyl ester)
Show SMILES CCCCCCCCCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C18H39NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-18H2,1H3,(H2,19,20,21)
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120n/an/an/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX.


J Med Chem 46: 5471-7 (2003)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50136087
PNG
(CHEMBL358643 | Sulfamic acid pentyl ester)
Show SMILES CCCCCOS(N)(=O)=O
Show InChI InChI=1S/C5H13NO3S/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3,(H2,6,7,8)
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126n/an/an/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX.


J Med Chem 46: 5471-7 (2003)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50136084
PNG
(CHEMBL450930 | Sulfamic acid octadecyl ester)
Show SMILES CCCCCCCCCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C18H39NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h2-18H2,1H3,(H2,19,20,21)
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129n/an/an/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II.


J Med Chem 46: 5471-7 (2003)

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


(Homo sapiens (human))
BDBM50159805
PNG
(CHEMBL182276 | Sulfamic acid 6-sulfamoyloxy-hexyl ...)
Show SMILES NS(=O)(=O)OCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C6H16N2O6S2/c7-15(9,10)13-5-3-1-2-4-6-14-16(8,11)12/h1-6H2,(H2,7,9,10)(H2,8,11,12)
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136n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic human carbonic anhydrase I


Bioorg Med Chem Lett 15: 579-84 (2005)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50154471
PNG
(CHEMBL182440 | Sulfamic acid 7-sulfamoyloxy-heptyl...)
Show SMILES NS(=O)(=O)OCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C7H18N2O6S2/c8-16(10,11)14-6-4-2-1-3-5-7-15-17(9,12)13/h1-7H2,(H2,8,10,11)(H2,9,12,13)
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145n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic human carbonic anhydrase I


Bioorg Med Chem Lett 15: 579-84 (2005)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50136089
PNG
(CHEMBL152907 | Sulfamic acid tetradecyl ester)
Show SMILES CCCCCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C14H31NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H2,15,16,17)
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150n/an/an/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I.


J Med Chem 46: 5471-7 (2003)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50136099
PNG
(CHEMBL153027 | Sulfamic acid dodecyl ester)
Show SMILES CCCCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C12H27NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)
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270n/an/an/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase I.


J Med Chem 46: 5471-7 (2003)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM33279
PNG
(CHEMBL24261 | aliphatic sulfamate, 1)
Show SMILES CCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
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335n/an/an/an/an/an/an/an/a



Université Montpellier II

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase IX.


J Med Chem 46: 5471-7 (2003)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM33281
PNG
(CHEMBL182455 | bis-sulfamate, 3)
Show SMILES NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H20N2O6S2/c9-17(11,12)15-7-5-3-1-2-4-6-8-16-18(10,13)14/h1-8H2,(H2,9,11,12)(H2,10,13,14)
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378n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against cytosolic human carbonic anhydrase I


Bioorg Med Chem Lett 15: 579-84 (2005)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM33281
PNG
(CHEMBL182455 | bis-sulfamate, 3)
Show SMILES NS(=O)(=O)OCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H20N2O6S2/c9-17(11,12)15-7-5-3-1-2-4-6-8-16-18(10,13)14/h1-8H2,(H2,9,11,12)(H2,10,13,14)
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378n/an/an/an/an/an/an/an/a



Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase I by spectrophotometry at pH 7.5


Bioorg Med Chem 19: 1172-8 (2011)

More data for this
Ligand-Target Pair
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