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10 molecules are shown

Wt: 254.3
BDBM11029
Purchase
Wt: 338.4
BDBM11031
Wt: 322.4
BDBM11032
Wt: 366.5
BDBM11039
Wt: 268.3
BDBM11036
Wt: 282.3
BDBM11037
Wt: 296.3
BDBM11038
Wt: 366.5
BDBM50155549
Wt: 255.2
BDBM50155551
Wt: 212.2
BDBM50155553
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 56 hits for monomerid = 11029,11031,11032,11039,11036,11037,11038,50155549,50155551,50155553   
Target/Host
(Institution)
LigandTarget/Host
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 12


(Homo sapiens (human))
BDBM11039
PNG
(2-nonylamido-5-sulfonamidoindane | CHEMBL208532 | ...)
Show SMILES CCCCCCCCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C19H30N2O3S/c1-2-3-4-5-6-7-8-9-19(22)21-17-12-15-10-11-18(25(20,23)24)14-16(15)13-17/h10-11,14,17H,2-9,12-13H2,1H3,(H,21,22)(H2,20,23,24)
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0.690n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11031
PNG
(2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...)
Show SMILES CCCC(CCC)C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)
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0.900n/an/an/an/an/an/an/an/a



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11029
PNG
(2-acetamido-5-sulfonamidoindane | CHEMBL184674 | I...)
Show SMILES CC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C11H14N2O3S/c1-7(14)13-10-4-8-2-3-11(17(12,15)16)6-9(8)5-10/h2-3,6,10H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
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1n/an/an/an/an/an/an/an/a



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50155553
PNG
(2-Amino-indan-5-sulfonic acid amide; hydrochloride...)
Show SMILES NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C9H12N2O2S/c10-8-3-6-1-2-9(14(11,12)13)5-7(6)4-8/h1-2,5,8H,3-4,10H2,(H2,11,12,13)
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1.40n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50155553
PNG
(2-Amino-indan-5-sulfonic acid amide; hydrochloride...)
Show SMILES NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C9H12N2O2S/c10-8-3-6-1-2-9(14(11,12)13)5-7(6)4-8/h1-2,5,8H,3-4,10H2,(H2,11,12,13)
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1.60n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50155549
PNG
(2-Butyl-hexanoic acid (5-sulfamoyl-indan-2-yl)-ami...)
Show SMILES CCCCC(CCCC)C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C19H30N2O3S/c1-3-5-7-14(8-6-4-2)19(22)21-17-11-15-9-10-18(25(20,23)24)13-16(15)12-17/h9-10,13-14,17H,3-8,11-12H2,1-2H3,(H,21,22)(H2,20,23,24)
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1.60n/an/an/an/an/an/an/an/a



Universit£ Joseph Fourier de Grenoble

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase I


Bioorg Med Chem Lett 14: 5781-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.061
BindingDB Entry DOI: 10.7270/Q2WD41CP
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM11039
PNG
(2-nonylamido-5-sulfonamidoindane | CHEMBL208532 | ...)
Show SMILES CCCCCCCCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C19H30N2O3S/c1-2-3-4-5-6-7-8-9-19(22)21-17-12-15-10-11-18(25(20,23)24)14-16(15)13-17/h10-11,14,17H,2-9,12-13H2,1H3,(H,21,22)(H2,20,23,24)
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1.90n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM11039
PNG
(2-nonylamido-5-sulfonamidoindane | CHEMBL208532 | ...)
Show SMILES CCCCCCCCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C19H30N2O3S/c1-2-3-4-5-6-7-8-9-19(22)21-17-12-15-10-11-18(25(20,23)24)14-16(15)13-17/h10-11,14,17H,2-9,12-13H2,1H3,(H,21,22)(H2,20,23,24)
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2.20n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11029
PNG
(2-acetamido-5-sulfonamidoindane | CHEMBL184674 | I...)
Show SMILES CC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C11H14N2O3S/c1-7(14)13-10-4-8-2-3-11(17(12,15)16)6-9(8)5-10/h2-3,6,10H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
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2.30n/an/an/an/an/an/an/an/a



Universit£ Joseph Fourier de Grenoble

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase II


Bioorg Med Chem Lett 14: 5781-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.061
BindingDB Entry DOI: 10.7270/Q2WD41CP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM11032
PNG
(1-cyclohexylamido-5-sulfonamidoindane | CHEMBL2068...)
Show SMILES NS(=O)(=O)c1ccc2C(CCc2c1)NC(=O)C1CCCCC1
Show InChI InChI=1S/C16H22N2O3S/c17-22(20,21)13-7-8-14-12(10-13)6-9-15(14)18-16(19)11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9H2,(H,18,19)(H2,17,20,21)
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2.80n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM11038
PNG
(2-butylamido-5-sulfonamidoindane | CHEMBL208531 | ...)
Show SMILES CCCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C14H20N2O3S/c1-2-3-4-14(17)16-12-7-10-5-6-13(20(15,18)19)9-11(10)8-12/h5-6,9,12H,2-4,7-8H2,1H3,(H,16,17)(H2,15,18,19)
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3.40n/an/an/an/an/an/an/an/a



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50155549
PNG
(2-Butyl-hexanoic acid (5-sulfamoyl-indan-2-yl)-ami...)
Show SMILES CCCCC(CCCC)C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C19H30N2O3S/c1-3-5-7-14(8-6-4-2)19(22)21-17-11-15-9-10-18(25(20,23)24)13-16(15)12-17/h9-10,13-14,17H,3-8,11-12H2,1-2H3,(H,21,22)(H2,20,23,24)
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3.40n/an/an/an/an/an/an/an/a



Universit£ Joseph Fourier de Grenoble

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase II


Bioorg Med Chem Lett 14: 5781-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.061
BindingDB Entry DOI: 10.7270/Q2WD41CP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM11039
PNG
(2-nonylamido-5-sulfonamidoindane | CHEMBL208532 | ...)
Show SMILES CCCCCCCCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C19H30N2O3S/c1-2-3-4-5-6-7-8-9-19(22)21-17-12-15-10-11-18(25(20,23)24)14-16(15)13-17/h10-11,14,17H,2-9,12-13H2,1H3,(H,21,22)(H2,20,23,24)
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3.70n/an/an/an/an/an/an/an/a



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM11036
PNG
(2-ethylamido-5-sulfonamidoindane | CHEMBL204740 | ...)
Show SMILES CCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C12H16N2O3S/c1-2-12(15)14-10-5-8-3-4-11(18(13,16)17)7-9(8)6-10/h3-4,7,10H,2,5-6H2,1H3,(H,14,15)(H2,13,16,17)
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3.90n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM11037
PNG
(2-propylamido-5-sulfonamidoindane | CHEMBL205743 |...)
Show SMILES CCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C13H18N2O3S/c1-2-3-13(16)15-11-6-9-4-5-12(19(14,17)18)8-10(9)7-11/h4-5,8,11H,2-3,6-7H2,1H3,(H,15,16)(H2,14,17,18)
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4.5n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50155551
PNG
(2-Acetylamino-indan-5-sulfonic acid; hydrate | CHE...)
Show SMILES CC(=O)NC1Cc2ccc(cc2C1)S(O)(=O)=O
Show InChI InChI=1S/C11H13NO4S/c1-7(13)12-10-4-8-2-3-11(17(14,15)16)6-9(8)5-10/h2-3,6,10H,4-5H2,1H3,(H,12,13)(H,14,15,16)
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4.70n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM11037
PNG
(2-propylamido-5-sulfonamidoindane | CHEMBL205743 |...)
Show SMILES CCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C13H18N2O3S/c1-2-3-13(16)15-11-6-9-4-5-12(19(14,17)18)8-10(9)7-11/h4-5,8,11H,2-3,6-7H2,1H3,(H,15,16)(H2,14,17,18)
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5n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM11029
PNG
(2-acetamido-5-sulfonamidoindane | CHEMBL184674 | I...)
Show SMILES CC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C11H14N2O3S/c1-7(14)13-10-4-8-2-3-11(17(12,15)16)6-9(8)5-10/h2-3,6,10H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
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5.40n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50155553
PNG
(2-Amino-indan-5-sulfonic acid amide; hydrochloride...)
Show SMILES NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C9H12N2O2S/c10-8-3-6-1-2-9(14(11,12)13)5-7(6)4-8/h1-2,5,8H,3-4,10H2,(H2,11,12,13)
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5.80n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM11037
PNG
(2-propylamido-5-sulfonamidoindane | CHEMBL205743 |...)
Show SMILES CCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C13H18N2O3S/c1-2-3-13(16)15-11-6-9-4-5-12(19(14,17)18)8-10(9)7-11/h4-5,8,11H,2-3,6-7H2,1H3,(H,15,16)(H2,14,17,18)
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5.90n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM11038
PNG
(2-butylamido-5-sulfonamidoindane | CHEMBL208531 | ...)
Show SMILES CCCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C14H20N2O3S/c1-2-3-4-14(17)16-12-7-10-5-6-13(20(15,18)19)9-11(10)8-12/h5-6,9,12H,2-4,7-8H2,1H3,(H,16,17)(H2,15,18,19)
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6.5n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM11029
PNG
(2-acetamido-5-sulfonamidoindane | CHEMBL184674 | I...)
Show SMILES CC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C11H14N2O3S/c1-7(14)13-10-4-8-2-3-11(17(12,15)16)6-9(8)5-10/h2-3,6,10H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
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7.10n/an/an/an/an/an/an/an/a



Universit£ Joseph Fourier de Grenoble

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase I


Bioorg Med Chem Lett 14: 5781-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.061
BindingDB Entry DOI: 10.7270/Q2WD41CP
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50155551
PNG
(2-Acetylamino-indan-5-sulfonic acid; hydrate | CHE...)
Show SMILES CC(=O)NC1Cc2ccc(cc2C1)S(O)(=O)=O
Show InChI InChI=1S/C11H13NO4S/c1-7(13)12-10-4-8-2-3-11(17(14,15)16)6-9(8)5-10/h2-3,6,10H,4-5H2,1H3,(H,12,13)(H,14,15,16)
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7.10n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11038
PNG
(2-butylamido-5-sulfonamidoindane | CHEMBL208531 | ...)
Show SMILES CCCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C14H20N2O3S/c1-2-3-4-14(17)16-12-7-10-5-6-13(20(15,18)19)9-11(10)8-12/h5-6,9,12H,2-4,7-8H2,1H3,(H,16,17)(H2,15,18,19)
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7.5n/an/an/an/an/an/an/an/a



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM11032
PNG
(1-cyclohexylamido-5-sulfonamidoindane | CHEMBL2068...)
Show SMILES NS(=O)(=O)c1ccc2C(CCc2c1)NC(=O)C1CCCCC1
Show InChI InChI=1S/C16H22N2O3S/c17-22(20,21)13-7-8-14-12(10-13)6-9-15(14)18-16(19)11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9H2,(H,18,19)(H2,17,20,21)
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8.20n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM11036
PNG
(2-ethylamido-5-sulfonamidoindane | CHEMBL204740 | ...)
Show SMILES CCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C12H16N2O3S/c1-2-12(15)14-10-5-8-3-4-11(18(13,16)17)7-9(8)6-10/h3-4,7,10H,2,5-6H2,1H3,(H,14,15)(H2,13,16,17)
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9n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM11031
PNG
(2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...)
Show SMILES CCCC(CCC)C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)
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9.30n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM11029
PNG
(2-acetamido-5-sulfonamidoindane | CHEMBL184674 | I...)
Show SMILES CC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C11H14N2O3S/c1-7(14)13-10-4-8-2-3-11(17(12,15)16)6-9(8)5-10/h2-3,6,10H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
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10n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11036
PNG
(2-ethylamido-5-sulfonamidoindane | CHEMBL204740 | ...)
Show SMILES CCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C12H16N2O3S/c1-2-12(15)14-10-5-8-3-4-11(18(13,16)17)7-9(8)6-10/h3-4,7,10H,2,5-6H2,1H3,(H,14,15)(H2,13,16,17)
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10n/an/an/an/an/an/an/an/a



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50155553
PNG
(2-Amino-indan-5-sulfonic acid amide; hydrochloride...)
Show SMILES NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C9H12N2O2S/c10-8-3-6-1-2-9(14(11,12)13)5-7(6)4-8/h1-2,5,8H,3-4,10H2,(H2,11,12,13)
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28n/an/an/an/an/an/an/an/a



Universit£ Joseph Fourier de Grenoble

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase II


Bioorg Med Chem Lett 14: 5781-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.061
BindingDB Entry DOI: 10.7270/Q2WD41CP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM11031
PNG
(2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...)
Show SMILES CCCC(CCC)C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)
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28n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11032
PNG
(1-cyclohexylamido-5-sulfonamidoindane | CHEMBL2068...)
Show SMILES NS(=O)(=O)c1ccc2C(CCc2c1)NC(=O)C1CCCCC1
Show InChI InChI=1S/C16H22N2O3S/c17-22(20,21)13-7-8-14-12(10-13)6-9-15(14)18-16(19)11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9H2,(H,18,19)(H2,17,20,21)
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32n/an/an/an/an/an/an/an/a



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50155553
PNG
(2-Amino-indan-5-sulfonic acid amide; hydrochloride...)
Show SMILES NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C9H12N2O2S/c10-8-3-6-1-2-9(14(11,12)13)5-7(6)4-8/h1-2,5,8H,3-4,10H2,(H2,11,12,13)
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33n/an/an/an/an/an/an/an/a



Universit£ Joseph Fourier de Grenoble

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase I


Bioorg Med Chem Lett 14: 5781-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.061
BindingDB Entry DOI: 10.7270/Q2WD41CP
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM11038
PNG
(2-butylamido-5-sulfonamidoindane | CHEMBL208531 | ...)
Show SMILES CCCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C14H20N2O3S/c1-2-3-4-14(17)16-12-7-10-5-6-13(20(15,18)19)9-11(10)8-12/h5-6,9,12H,2-4,7-8H2,1H3,(H,16,17)(H2,15,18,19)
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40n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11037
PNG
(2-propylamido-5-sulfonamidoindane | CHEMBL205743 |...)
Show SMILES CCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C13H18N2O3S/c1-2-3-13(16)15-11-6-9-4-5-12(19(14,17)18)8-10(9)7-11/h4-5,8,11H,2-3,6-7H2,1H3,(H,15,16)(H2,14,17,18)
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46n/an/an/an/an/an/an/an/a



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM11038
PNG
(2-butylamido-5-sulfonamidoindane | CHEMBL208531 | ...)
Show SMILES CCCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C14H20N2O3S/c1-2-3-4-14(17)16-12-7-10-5-6-13(20(15,18)19)9-11(10)8-12/h5-6,9,12H,2-4,7-8H2,1H3,(H,16,17)(H2,15,18,19)
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52n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM11036
PNG
(2-ethylamido-5-sulfonamidoindane | CHEMBL204740 | ...)
Show SMILES CCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C12H16N2O3S/c1-2-12(15)14-10-5-8-3-4-11(18(13,16)17)7-9(8)6-10/h3-4,7,10H,2,5-6H2,1H3,(H,14,15)(H2,13,16,17)
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61n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50155551
PNG
(2-Acetylamino-indan-5-sulfonic acid; hydrate | CHE...)
Show SMILES CC(=O)NC1Cc2ccc(cc2C1)S(O)(=O)=O
Show InChI InChI=1S/C11H13NO4S/c1-7(13)12-10-4-8-2-3-11(17(14,15)16)6-9(8)5-10/h2-3,6,10H,4-5H2,1H3,(H,12,13)(H,14,15,16)
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65n/an/an/an/an/an/an/an/a



Universit£ Joseph Fourier de Grenoble

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase II


Bioorg Med Chem Lett 14: 5781-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.061
BindingDB Entry DOI: 10.7270/Q2WD41CP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50155551
PNG
(2-Acetylamino-indan-5-sulfonic acid; hydrate | CHE...)
Show SMILES CC(=O)NC1Cc2ccc(cc2C1)S(O)(=O)=O
Show InChI InChI=1S/C11H13NO4S/c1-7(13)12-10-4-8-2-3-11(17(14,15)16)6-9(8)5-10/h2-3,6,10H,4-5H2,1H3,(H,12,13)(H,14,15,16)
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68n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50155551
PNG
(2-Acetylamino-indan-5-sulfonic acid; hydrate | CHE...)
Show SMILES CC(=O)NC1Cc2ccc(cc2C1)S(O)(=O)=O
Show InChI InChI=1S/C11H13NO4S/c1-7(13)12-10-4-8-2-3-11(17(14,15)16)6-9(8)5-10/h2-3,6,10H,4-5H2,1H3,(H,12,13)(H,14,15,16)
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89n/an/an/an/an/an/an/an/a



Universit£ Joseph Fourier de Grenoble

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned carbonic anhydrase I


Bioorg Med Chem Lett 14: 5781-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.061
BindingDB Entry DOI: 10.7270/Q2WD41CP
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM11032
PNG
(1-cyclohexylamido-5-sulfonamidoindane | CHEMBL2068...)
Show SMILES NS(=O)(=O)c1ccc2C(CCc2c1)NC(=O)C1CCCCC1
Show InChI InChI=1S/C16H22N2O3S/c17-22(20,21)13-7-8-14-12(10-13)6-9-15(14)18-16(19)11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9H2,(H,18,19)(H2,17,20,21)
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108n/an/an/an/an/an/an/an/a



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11039
PNG
(2-nonylamido-5-sulfonamidoindane | CHEMBL208532 | ...)
Show SMILES CCCCCCCCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C19H30N2O3S/c1-2-3-4-5-6-7-8-9-19(22)21-17-12-15-10-11-18(25(20,23)24)14-16(15)13-17/h10-11,14,17H,2-9,12-13H2,1H3,(H,21,22)(H2,20,23,24)
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128n/an/an/an/an/an/an/an/a



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM11031
PNG
(2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...)
Show SMILES CCCC(CCC)C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)
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282n/an/an/an/an/an/an/an/a



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM11029
PNG
(2-acetamido-5-sulfonamidoindane | CHEMBL184674 | I...)
Show SMILES CC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C11H14N2O3S/c1-7(14)13-10-4-8-2-3-11(17(12,15)16)6-9(8)5-10/h2-3,6,10H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
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290n/an/an/an/an/an/an/an/a



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM11032
PNG
(1-cyclohexylamido-5-sulfonamidoindane | CHEMBL2068...)
Show SMILES NS(=O)(=O)c1ccc2C(CCc2c1)NC(=O)C1CCCCC1
Show InChI InChI=1S/C16H22N2O3S/c17-22(20,21)13-7-8-14-12(10-13)6-9-15(14)18-16(19)11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9H2,(H,18,19)(H2,17,20,21)
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341n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM11031
PNG
(2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...)
Show SMILES CCCC(CCC)C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)
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658n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM11029
PNG
(2-acetamido-5-sulfonamidoindane | CHEMBL184674 | I...)
Show SMILES CC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C11H14N2O3S/c1-7(14)13-10-4-8-2-3-11(17(12,15)16)6-9(8)5-10/h2-3,6,10H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
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675n/an/an/an/an/an/an/an/a



University of Namur

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by CO2 hydration assay


Eur J Med Chem 43: 2853-60 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.018
BindingDB Entry DOI: 10.7270/Q2Z03922
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM11037
PNG
(2-propylamido-5-sulfonamidoindane | CHEMBL205743 |...)
Show SMILES CCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C13H18N2O3S/c1-2-3-13(16)15-11-6-9-4-5-12(19(14,17)18)8-10(9)7-11/h4-5,8,11H,2-3,6-7H2,1H3,(H,15,16)(H2,14,17,18)
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825 -8.21n/an/an/an/an/a7.522



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM11038
PNG
(2-butylamido-5-sulfonamidoindane | CHEMBL208531 | ...)
Show SMILES CCCCC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C14H20N2O3S/c1-2-3-4-14(17)16-12-7-10-5-6-13(20(15,18)19)9-11(10)8-12/h5-6,9,12H,2-4,7-8H2,1H3,(H,16,17)(H2,15,18,19)
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875 -8.18n/an/an/an/an/a7.522



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM11032
PNG
(1-cyclohexylamido-5-sulfonamidoindane | CHEMBL2068...)
Show SMILES NS(=O)(=O)c1ccc2C(CCc2c1)NC(=O)C1CCCCC1
Show InChI InChI=1S/C16H22N2O3S/c17-22(20,21)13-7-8-14-12(10-13)6-9-15(14)18-16(19)11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9H2,(H,18,19)(H2,17,20,21)
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880 -8.17n/an/an/an/an/a7.522



University of Namur



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 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
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