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Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with all data for entry = 50037419   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10885
PNG
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
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3n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50159804
PNG
(CHEMBL221802 | estradiol 3,17-O,O-bis-sulfamate | ...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CC[C@@H]2OS(N)(=O)=O
Show InChI InChI=1S/C18H26N2O6S2/c1-18-9-8-14-13-5-3-12(25-27(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(20,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H2,19,21,22)(H2,20,23,24)/t14-,15-,16+,17+,18+/m1/s1
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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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50159807
PNG
(CHEMBL183701 | Sulfamic acid 4-tert-butyl-2-sulfam...)
Show SMILES CC(C)(C)c1ccc(OS(N)(=O)=O)c(OS(N)(=O)=O)c1
Show InChI InChI=1S/C10H16N2O6S2/c1-10(2,3)7-4-5-8(17-19(11,13)14)9(6-7)18-20(12,15)16/h4-6H,1-3H3,(H2,11,13,14)(H2,12,15,16)
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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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10884
PNG
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
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9n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50159808
PNG
(CHEMBL182429 | Sulfamic acid 3-sulfamoyloxy-phenyl...)
Show SMILES NS(=O)(=O)Oc1cccc(OS(N)(=O)=O)c1
Show InChI InChI=1S/C6H8N2O6S2/c7-15(9,10)13-5-2-1-3-6(4-5)14-16(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12)
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9.40n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50159807
PNG
(CHEMBL183701 | Sulfamic acid 4-tert-butyl-2-sulfam...)
Show SMILES CC(C)(C)c1ccc(OS(N)(=O)=O)c(OS(N)(=O)=O)c1
Show InChI InChI=1S/C10H16N2O6S2/c1-10(2,3)7-4-5-8(17-19(11,13)14)9(6-7)18-20(12,15)16/h4-6H,1-3H3,(H2,11,13,14)(H2,12,15,16)
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9.60n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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14n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50159811
PNG
(CHEMBL183240 | Sulfamic acid 4-methyl-2-sulfamoylo...)
Show SMILES Cc1ccc(OS(N)(=O)=O)c(OS(N)(=O)=O)c1
Show InChI InChI=1S/C7H10N2O6S2/c1-5-2-3-6(14-16(8,10)11)7(4-5)15-17(9,12)13/h2-4H,1H3,(H2,8,10,11)(H2,9,12,13)
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15n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50159801
PNG
(CHEMBL353258 | Sulfamic acid 4-sulfamoyloxy-butyl ...)
Show SMILES NS(=O)(=O)OCCCCOS(N)(=O)=O
Show InChI InChI=1S/C4H12N2O6S2/c5-13(7,8)11-3-1-2-4-12-14(6,9)10/h1-4H2,(H2,5,7,8)(H2,6,9,10)
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15n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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15n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50159809
PNG
(CHEMBL360714 | Sulfamic acid 4-sulfamoyloxymethyl-...)
Show SMILES NS(=O)(=O)OCc1ccc(COS(N)(=O)=O)cc1
Show InChI InChI=1S/C8H12N2O6S2/c9-17(11,12)15-5-7-1-2-8(4-3-7)6-16-18(10,13)14/h1-4H,5-6H2,(H2,9,11,12)(H2,10,13,14)
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>20n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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24n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50159801
PNG
(CHEMBL353258 | Sulfamic acid 4-sulfamoyloxy-butyl ...)
Show SMILES NS(=O)(=O)OCCCCOS(N)(=O)=O
Show InChI InChI=1S/C4H12N2O6S2/c5-13(7,8)11-3-1-2-4-12-14(6,9)10/h1-4H2,(H2,5,7,8)(H2,6,9,10)
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24n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
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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24.5n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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25n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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27n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50159801
PNG
(CHEMBL353258 | Sulfamic acid 4-sulfamoyloxy-butyl ...)
Show SMILES NS(=O)(=O)OCCCCOS(N)(=O)=O
Show InChI InChI=1S/C4H12N2O6S2/c5-13(7,8)11-3-1-2-4-12-14(6,9)10/h1-4H2,(H2,5,7,8)(H2,6,9,10)
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31n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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31n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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34n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10885
PNG
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
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37n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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38n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50128219
PNG
(CHEMBL68257 | Sulfamic acid 3-pentyl-5-sulfamoylox...)
Show SMILES CCCCCc1cc(OS(N)(=O)=O)cc(OS(N)(=O)=O)c1
Show InChI InChI=1S/C11H18N2O6S2/c1-2-3-4-5-9-6-10(18-20(12,14)15)8-11(7-9)19-21(13,16)17/h6-8H,2-5H2,1H3,(H2,12,14,15)(H2,13,16,17)
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43.1n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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50n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM10884
PNG
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
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52n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50159804
PNG
(CHEMBL221802 | estradiol 3,17-O,O-bis-sulfamate | ...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CC[C@@H]2OS(N)(=O)=O
Show InChI InChI=1S/C18H26N2O6S2/c1-18-9-8-14-13-5-3-12(25-27(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(20,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H2,19,21,22)(H2,20,23,24)/t14-,15-,16+,17+,18+/m1/s1
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58n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50159809
PNG
(CHEMBL360714 | Sulfamic acid 4-sulfamoyloxymethyl-...)
Show SMILES NS(=O)(=O)OCc1ccc(COS(N)(=O)=O)cc1
Show InChI InChI=1S/C8H12N2O6S2/c9-17(11,12)15-5-7-1-2-8(4-3-7)6-16-18(10,13)14/h1-4H,5-6H2,(H2,9,11,12)(H2,10,13,14)
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61.6n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50159811
PNG
(CHEMBL183240 | Sulfamic acid 4-methyl-2-sulfamoylo...)
Show SMILES Cc1ccc(OS(N)(=O)=O)c(OS(N)(=O)=O)c1
Show InChI InChI=1S/C7H10N2O6S2/c1-5-2-3-6(14-16(8,10)11)7(4-5)15-17(9,12)13/h2-4H,1H3,(H2,8,10,11)(H2,9,12,13)
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70.8n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50128219
PNG
(CHEMBL68257 | Sulfamic acid 3-pentyl-5-sulfamoylox...)
Show SMILES CCCCCc1cc(OS(N)(=O)=O)cc(OS(N)(=O)=O)c1
Show InChI InChI=1S/C11H18N2O6S2/c1-2-3-4-5-9-6-10(18-20(12,14)15)8-11(7-9)19-21(13,16)17/h6-8H,2-5H2,1H3,(H2,12,14,15)(H2,13,16,17)
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76.3n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50159808
PNG
(CHEMBL182429 | Sulfamic acid 3-sulfamoyloxy-phenyl...)
Show SMILES NS(=O)(=O)Oc1cccc(OS(N)(=O)=O)c1
Show InChI InChI=1S/C6H8N2O6S2/c7-15(9,10)13-5-2-1-3-6(4-5)14-16(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12)
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79n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
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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PubMed
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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50159807
PNG
(CHEMBL183701 | Sulfamic acid 4-tert-butyl-2-sulfam...)
Show SMILES CC(C)(C)c1ccc(OS(N)(=O)=O)c(OS(N)(=O)=O)c1
Show InChI InChI=1S/C10H16N2O6S2/c1-10(2,3)7-4-5-8(17-19(11,13)14)9(6-7)18-20(12,15)16/h4-6H,1-3H3,(H2,11,13,14)(H2,12,15,16)
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PubMed
93n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50159808
PNG
(CHEMBL182429 | Sulfamic acid 3-sulfamoyloxy-phenyl...)
Show SMILES NS(=O)(=O)Oc1cccc(OS(N)(=O)=O)c1
Show InChI InChI=1S/C6H8N2O6S2/c7-15(9,10)13-5-2-1-3-6(4-5)14-16(8,11)12/h1-4H,(H2,7,9,10)(H2,8,11,12)
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100n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50128219
PNG
(CHEMBL68257 | Sulfamic acid 3-pentyl-5-sulfamoylox...)
Show SMILES CCCCCc1cc(OS(N)(=O)=O)cc(OS(N)(=O)=O)c1
Show InChI InChI=1S/C11H18N2O6S2/c1-2-3-4-5-9-6-10(18-20(12,14)15)8-11(7-9)19-21(13,16)17/h6-8H,2-5H2,1H3,(H2,12,14,15)(H2,13,16,17)
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105n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50159811
PNG
(CHEMBL183240 | Sulfamic acid 4-methyl-2-sulfamoylo...)
Show SMILES Cc1ccc(OS(N)(=O)=O)c(OS(N)(=O)=O)c1
Show InChI InChI=1S/C7H10N2O6S2/c1-5-2-3-6(14-16(8,10)11)7(4-5)15-17(9,12)13/h2-4H,1H3,(H2,8,10,11)(H2,9,12,13)
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267n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50159802
PNG
(CHEMBL181357 | Sulfamic acid 2-methyl-3-sulfamoylo...)
Show SMILES CC(COS(N)(=O)=O)COS(N)(=O)=O
Show InChI InChI=1S/C4H12N2O6S2/c1-4(2-11-13(5,7)8)3-12-14(6,9)10/h4H,2-3H2,1H3,(H2,5,7,8)(H2,6,9,10)
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Article
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380n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50159812
PNG
(CHEMBL170139 | Sulfamic acid 1-methyl-2-sulfamoylo...)
Show SMILES CC(OS(N)(=O)=O)C(C)OS(N)(=O)=O
Show InChI InChI=1S/C4H12N2O6S2/c1-3(11-13(5,7)8)4(2)12-14(6,9)10/h3-4H,1-2H3,(H2,5,7,8)(H2,6,9,10)
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417n/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)


Article DOI: 10.1016/j.bmcl.2004.11.058
BindingDB Entry DOI: 10.7270/Q2Z038XV
More data for this
Ligand-Target Pair
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