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14 molecules are shown

Wt: 289.7
BDBM25898
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Wt: 365.8
BDBM25901
Purchase
Wt: 292.6
BDBM50101380
Wt: 350.7
BDBM50101347
Wt: 320.7
BDBM50101384
Wt: 417.8
BDBM50101388
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Wt: 322.7
BDBM50101354
Wt: 398.8
BDBM50101392
Wt: 403.8
BDBM50101359
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Wt: 453.8
BDBM50101363
Wt: 389.8
BDBM50101367
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Wt: 398.8
BDBM50101370
Wt: 306.7
BDBM50101374
Wt: 382.8
BDBM50101376

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 66 hits for monomerid = 25898,25901,50101380,50101347,50101384,50101388,50101354,50101392,50101359,50101363,50101367,50101370,50101374,50101376   
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 7


(Homo sapiens (human))
BDBM25901
PNG
(4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...)
Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)
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0.230n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 2567-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.051
BindingDB Entry DOI: 10.7270/Q23N21P7
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM25901
PNG
(4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...)
Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)
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10n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 2567-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.051
BindingDB Entry DOI: 10.7270/Q23N21P7
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM25901
PNG
(4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...)
Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)
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13n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 2567-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.051
BindingDB Entry DOI: 10.7270/Q23N21P7
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50101388
PNG
(4-Chloro-3-sulfamoyl-N-[2-(4-sulfamoyl-phenyl)-eth...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H16ClN3O5S2/c16-13-6-3-11(9-14(13)26(18,23)24)15(20)19-8-7-10-1-4-12(5-2-10)25(17,21)22/h1-6,9H,7-8H2,(H,19,20)(H2,17,21,22)(H2,18,23,24)
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21n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50101367
PNG
(4-Chloro-3-sulfamoyl-N-(4-sulfamoyl-phenyl)-benzam...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H12ClN3O5S2/c14-11-6-1-8(7-12(11)24(16,21)22)13(18)17-9-2-4-10(5-3-9)23(15,19)20/h1-7H,(H,17,18)(H2,15,19,20)(H2,16,21,22)
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24n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50101359
PNG
(4-Chloro-3-sulfamoyl-N-(4-sulfamoyl-benzyl)-benzam...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H14ClN3O5S2/c15-12-6-3-10(7-13(12)25(17,22)23)14(19)18-8-9-1-4-11(5-2-9)24(16,20)21/h1-7H,8H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)
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24n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101388
PNG
(4-Chloro-3-sulfamoyl-N-[2-(4-sulfamoyl-phenyl)-eth...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H16ClN3O5S2/c16-13-6-3-11(9-14(13)26(18,23)24)15(20)19-8-7-10-1-4-12(5-2-10)25(17,21)22/h1-6,9H,7-8H2,(H,19,20)(H2,17,21,22)(H2,18,23,24)
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26n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101359
PNG
(4-Chloro-3-sulfamoyl-N-(4-sulfamoyl-benzyl)-benzam...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H14ClN3O5S2/c15-12-6-3-10(7-13(12)25(17,22)23)14(19)18-8-9-1-4-11(5-2-9)24(16,20)21/h1-7H,8H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)
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28n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101367
PNG
(4-Chloro-3-sulfamoyl-N-(4-sulfamoyl-phenyl)-benzam...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H12ClN3O5S2/c14-11-6-1-8(7-12(11)24(16,21)22)13(18)17-9-2-4-10(5-3-9)23(15,19)20/h1-7H,(H,17,18)(H2,15,19,20)(H2,16,21,22)
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30n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50101363
PNG
((S)-2-[(S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-p...)
Show SMILES C[C@H](NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H20ClN3O6S/c1-11(17(24)23-15(19(26)27)9-12-5-3-2-4-6-12)22-18(25)13-7-8-14(20)16(10-13)30(21,28)29/h2-8,10-11,15H,9H2,1H3,(H,22,25)(H,23,24)(H,26,27)(H2,21,28,29)/t11-,15-/m0/s1
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36n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM25901
PNG
(4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...)
Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)
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36n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 2567-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.051
BindingDB Entry DOI: 10.7270/Q23N21P7
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50101392
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3-hydrox...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](C(O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C16H15ClN2O6S/c17-11-7-6-10(8-12(11)26(18,24)25)15(21)19-13(16(22)23)14(20)9-4-2-1-3-5-9/h1-8,13-14,20H,(H,19,21)(H,22,23)(H2,18,24,25)/t13-,14?/m0/s1
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37n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101363
PNG
((S)-2-[(S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-p...)
Show SMILES C[C@H](NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H20ClN3O6S/c1-11(17(24)23-15(19(26)27)9-12-5-3-2-4-6-12)22-18(25)13-7-8-14(20)16(10-13)30(21,28)29/h2-8,10-11,15H,9H2,1H3,(H,22,25)(H,23,24)(H,26,27)(H2,21,28,29)/t11-,15-/m0/s1
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44n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101359
PNG
(4-Chloro-3-sulfamoyl-N-(4-sulfamoyl-benzyl)-benzam...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H14ClN3O5S2/c15-12-6-3-10(7-13(12)25(17,22)23)14(19)18-8-9-1-4-11(5-2-9)24(16,20)21/h1-7H,8H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)
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61n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101392
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3-hydrox...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](C(O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C16H15ClN2O6S/c17-11-7-6-10(8-12(11)26(18,24)25)15(21)19-13(16(22)23)14(20)9-4-2-1-3-5-9/h1-8,13-14,20H,(H,19,21)(H,22,23)(H2,18,24,25)/t13-,14?/m0/s1
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62n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101388
PNG
(4-Chloro-3-sulfamoyl-N-[2-(4-sulfamoyl-phenyl)-eth...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H16ClN3O5S2/c16-13-6-3-11(9-14(13)26(18,23)24)15(20)19-8-7-10-1-4-12(5-2-10)25(17,21)22/h1-6,9H,7-8H2,(H,19,20)(H2,17,21,22)(H2,18,23,24)
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63n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101367
PNG
(4-Chloro-3-sulfamoyl-N-(4-sulfamoyl-phenyl)-benzam...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H12ClN3O5S2/c14-11-6-1-8(7-12(11)24(16,21)22)13(18)17-9-2-4-10(5-3-9)23(15,19)20/h1-7H,(H,17,18)(H2,15,19,20)(H2,16,21,22)
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66n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101363
PNG
((S)-2-[(S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-p...)
Show SMILES C[C@H](NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H20ClN3O6S/c1-11(17(24)23-15(19(26)27)9-12-5-3-2-4-6-12)22-18(25)13-7-8-14(20)16(10-13)30(21,28)29/h2-8,10-11,15H,9H2,1H3,(H,22,25)(H,23,24)(H,26,27)(H2,21,28,29)/t11-,15-/m0/s1
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72n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101392
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3-hydrox...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](C(O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C16H15ClN2O6S/c17-11-7-6-10(8-12(11)26(18,24)25)15(21)19-13(16(22)23)14(20)9-4-2-1-3-5-9/h1-8,13-14,20H,(H,19,21)(H,22,23)(H2,18,24,25)/t13-,14?/m0/s1
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98n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50101370
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3-(4-hyd...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C16H15ClN2O6S/c17-12-6-3-10(8-14(12)26(18,24)25)15(21)19-13(16(22)23)7-9-1-4-11(20)5-2-9/h1-6,8,13,20H,7H2,(H,19,21)(H,22,23)(H2,18,24,25)/t13-/m0/s1
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115n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50101376
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3-phenyl...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H15ClN2O5S/c17-12-7-6-11(9-14(12)25(18,23)24)15(20)19-13(16(21)22)8-10-4-2-1-3-5-10/h1-7,9,13H,8H2,(H,19,20)(H,21,22)(H2,18,23,24)/t13-/m0/s1
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135n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50101354
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3-hydrox...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C10H11ClN2O6S/c11-6-2-1-5(3-8(6)20(12,18)19)9(15)13-7(4-14)10(16)17/h1-3,7,14H,4H2,(H,13,15)(H,16,17)(H2,12,18,19)/t7-/m0/s1
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170n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50101374
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-propioni...)
Show SMILES C[C@H](NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C10H11ClN2O5S/c1-5(10(15)16)13-9(14)6-2-3-7(11)8(4-6)19(12,17)18/h2-5H,1H3,(H,13,14)(H,15,16)(H2,12,17,18)/t5-/m0/s1
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175n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50101384
PNG
(4-(4-Chloro-3-sulfamoyl-benzoylamino)-butyric acid...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NCCCC(O)=O
Show InChI InChI=1S/C11H13ClN2O5S/c12-8-4-3-7(6-9(8)20(13,18)19)11(17)14-5-1-2-10(15)16/h3-4,6H,1-2,5H2,(H,14,17)(H,15,16)(H2,13,18,19)
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200n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50101380
PNG
((4-Chloro-3-sulfamoyl-benzoylamino)-acetic acid | ...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NCC(O)=O
Show InChI InChI=1S/C9H9ClN2O5S/c10-6-2-1-5(3-7(6)18(11,16)17)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)(H2,11,16,17)
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210n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM25901
PNG
(4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...)
Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)
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213n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 2567-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.051
BindingDB Entry DOI: 10.7270/Q23N21P7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101376
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3-phenyl...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H15ClN2O5S/c17-12-7-6-11(9-14(12)25(18,23)24)15(20)19-13(16(21)22)8-10-4-2-1-3-5-10/h1-7,9,13H,8H2,(H,19,20)(H,21,22)(H2,18,23,24)/t13-/m0/s1
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250n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101370
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3-(4-hyd...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C16H15ClN2O6S/c17-12-6-3-10(8-14(12)26(18,24)25)15(21)19-13(16(22)23)7-9-1-4-11(20)5-2-9/h1-6,8,13,20H,7H2,(H,19,21)(H,22,23)(H2,18,24,25)/t13-/m0/s1
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250n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM25901
PNG
(4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...)
Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)
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274n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 2567-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.051
BindingDB Entry DOI: 10.7270/Q23N21P7
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50101347
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-succinic...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C11H11ClN2O7S/c12-6-2-1-5(3-8(6)22(13,20)21)10(17)14-7(11(18)19)4-9(15)16/h1-3,7H,4H2,(H,14,17)(H,15,16)(H,18,19)(H2,13,20,21)/t7-/m0/s1
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285n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase I (hCA I)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101354
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3-hydrox...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C10H11ClN2O6S/c11-6-2-1-5(3-8(6)20(12,18)19)9(15)13-7(4-14)10(16)17/h1-3,7,14H,4H2,(H,13,15)(H,16,17)(H2,12,18,19)/t7-/m0/s1
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290n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101347
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-succinic...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C11H11ClN2O7S/c12-6-2-1-5(3-8(6)22(13,20)21)10(17)14-7(11(18)19)4-9(15)16/h1-3,7H,4H2,(H,14,17)(H,15,16)(H,18,19)(H2,13,20,21)/t7-/m0/s1
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300n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101370
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3-(4-hyd...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C16H15ClN2O6S/c17-12-6-3-10(8-14(12)26(18,24)25)15(21)19-13(16(22)23)7-9-1-4-11(20)5-2-9/h1-6,8,13,20H,7H2,(H,19,21)(H,22,23)(H2,18,24,25)/t13-/m0/s1
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325n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101376
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3-phenyl...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H15ClN2O5S/c17-12-7-6-11(9-14(12)25(18,23)24)15(20)19-13(16(21)22)8-10-4-2-1-3-5-10/h1-7,9,13H,8H2,(H,19,20)(H,21,22)(H2,18,23,24)/t13-/m0/s1
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340n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101347
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-succinic...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C11H11ClN2O7S/c12-6-2-1-5(3-8(6)22(13,20)21)10(17)14-7(11(18)19)4-9(15)16/h1-3,7H,4H2,(H,14,17)(H,15,16)(H,18,19)(H2,13,20,21)/t7-/m0/s1
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355n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101354
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-3-hydrox...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C10H11ClN2O6S/c11-6-2-1-5(3-8(6)20(12,18)19)9(15)13-7(4-14)10(16)17/h1-3,7,14H,4H2,(H,13,15)(H,16,17)(H2,12,18,19)/t7-/m0/s1
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395n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101384
PNG
(4-(4-Chloro-3-sulfamoyl-benzoylamino)-butyric acid...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NCCCC(O)=O
Show InChI InChI=1S/C11H13ClN2O5S/c12-8-4-3-7(6-9(8)20(13,18)19)11(17)14-5-1-2-10(15)16/h3-4,6H,1-2,5H2,(H,14,17)(H,15,16)(H2,13,18,19)
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400n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101374
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-propioni...)
Show SMILES C[C@H](NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C10H11ClN2O5S/c1-5(10(15)16)13-9(14)6-2-3-7(11)8(4-6)19(12,17)18/h2-5H,1H3,(H,13,14)(H,15,16)(H2,12,17,18)/t5-/m0/s1
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420n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50101380
PNG
((4-Chloro-3-sulfamoyl-benzoylamino)-acetic acid | ...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NCC(O)=O
Show InChI InChI=1S/C9H9ClN2O5S/c10-6-2-1-5(3-7(6)18(11,16)17)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)(H2,11,16,17)
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450n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Binding affinity against human carbonic anhydrase II (hCA -II)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101374
PNG
((S)-2-(4-Chloro-3-sulfamoyl-benzoylamino)-propioni...)
Show SMILES C[C@H](NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C10H11ClN2O5S/c1-5(10(15)16)13-9(14)6-2-3-7(11)8(4-6)19(12,17)18/h2-5H,1H3,(H,13,14)(H,15,16)(H2,12,17,18)/t5-/m0/s1
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475n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101384
PNG
(4-(4-Chloro-3-sulfamoyl-benzoylamino)-butyric acid...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NCCCC(O)=O
Show InChI InChI=1S/C11H13ClN2O5S/c12-8-4-3-7(6-9(8)20(13,18)19)11(17)14-5-1-2-10(15)16/h3-4,6H,1-2,5H2,(H,14,17)(H,15,16)(H2,13,18,19)
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540n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM50101380
PNG
((4-Chloro-3-sulfamoyl-benzoylamino)-acetic acid | ...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NCC(O)=O
Show InChI InChI=1S/C9H9ClN2O5S/c10-6-2-1-5(3-7(6)18(11,16)17)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)(H2,11,16,17)
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600n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)


Bioorg Med Chem Lett 11: 1787-91 (2001)


Article DOI: 10.1016/s0960-894x(01)00303-1
BindingDB Entry DOI: 10.7270/Q2K64JM5
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM25901
PNG
(4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...)
Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)
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890n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 2567-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.051
BindingDB Entry DOI: 10.7270/Q23N21P7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM25898
PNG
(7-chloro-2-ethyl-4-oxo-1,2,3,4-tetrahydroquinazoli...)
Show SMILES CCC1NC(=O)c2cc(c(Cl)cc2N1)S(N)(=O)=O
Show InChI InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)
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1.26E+3 -8.04n/an/an/an/an/a7.425



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 2567-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.051
BindingDB Entry DOI: 10.7270/Q23N21P7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM25901
PNG
(4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...)
Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)
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1.61E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 2567-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.051
BindingDB Entry DOI: 10.7270/Q23N21P7
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM25901
PNG
(4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...)
Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)
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2.52E+3 -7.63n/an/an/an/an/a7.425



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 2567-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.051
BindingDB Entry DOI: 10.7270/Q23N21P7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM25901
PNG
(4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...)
Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)
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4.95E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 2567-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.051
BindingDB Entry DOI: 10.7270/Q23N21P7
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM25901
PNG
(4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...)
Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)
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1.00E+4 -6.82n/an/an/an/an/a7.525



Laboratoire Synthèse et Réactivité des Substances Naturelles



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 27: 886-91 (2012)


Article DOI: 10.3109/14756366.2011.638921
BindingDB Entry DOI: 10.7270/Q2M0449D
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM25898
PNG
(7-chloro-2-ethyl-4-oxo-1,2,3,4-tetrahydroquinazoli...)
Show SMILES CCC1NC(=O)c2cc(c(Cl)cc2N1)S(N)(=O)=O
Show InChI InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)
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3.50E+4 -6.07n/an/an/an/an/a7.425



Universita degli Studi di Firenze



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...


Bioorg Med Chem Lett 18: 2567-73 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.051
BindingDB Entry DOI: 10.7270/Q23N21P7
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM25901
PNG
(4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-...)
Show SMILES CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H16ClN3O3S/c1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23/h2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23)
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PubMed
3.60E+4 -6.06n/an/an/an/an/a7.525



Laboratoire Synthèse et Réactivité des Substances Naturelles



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 27: 886-91 (2012)


Article DOI: 10.3109/14756366.2011.638921
BindingDB Entry DOI: 10.7270/Q2M0449D
More data for this
Ligand-Target Pair
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