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PubMed code 21723123

Compile data set for download or QSAR
Found 48 hits of Enzyme Inhibition Constant Data   
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 12


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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3.80n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349115
PNG
(CHEMBL1807504)
Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@@H]1OC(C)=O)NS(N)(=O)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,10-,11-,12+/m1/s1
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4.80n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349110
PNG
(CHEMBL1807498)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11-,12+,13+,14-/m1/s1
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5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349111
PNG
(CHEMBL1807499)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-5-9(21-6(2)15)10(22-7(3)16)11(23-8(4)17)12(20-5)14-24(13,18)19/h5,9-12,14H,1-4H3,(H2,13,18,19)/t5-,9-,10+,11+,12-/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349108
PNG
(CHEMBL1807496)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11-,12+,13-,14-/m1/s1
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5.40n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349110
PNG
(CHEMBL1807498)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11-,12+,13+,14-/m1/s1
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5.60n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349111
PNG
(CHEMBL1807499)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-5-9(21-6(2)15)10(22-7(3)16)11(23-8(4)17)12(20-5)14-24(13,18)19/h5,9-12,14H,1-4H3,(H2,13,18,19)/t5-,9-,10+,11+,12-/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349109
PNG
(CHEMBL1807497)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11+,12+,13-,14-/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349109
PNG
(CHEMBL1807497)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11+,12+,13-,14-/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349108
PNG
(CHEMBL1807496)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11-,12+,13-,14-/m1/s1
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7.70n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349116
PNG
(CHEMBL1807505)
Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@H]1OC(C)=O)NS(N)(=O)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,10-,11-,12-/m1/s1
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7.80n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349116
PNG
(CHEMBL1807505)
Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@H]1OC(C)=O)NS(N)(=O)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,10-,11-,12-/m1/s1
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11n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349115
PNG
(CHEMBL1807504)
Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@@H]1OC(C)=O)NS(N)(=O)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,10-,11-,12+/m1/s1
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12n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349115
PNG
(CHEMBL1807504)
Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@@H]1OC(C)=O)NS(N)(=O)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,10-,11-,12+/m1/s1
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13n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349116
PNG
(CHEMBL1807505)
Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@H]1OC(C)=O)NS(N)(=O)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,10-,11-,12-/m1/s1
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16n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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58n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349109
PNG
(CHEMBL1807497)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11+,12+,13-,14-/m1/s1
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76n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349108
PNG
(CHEMBL1807496)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11-,12+,13-,14-/m1/s1
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81n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349111
PNG
(CHEMBL1807499)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-5-9(21-6(2)15)10(22-7(3)16)11(23-8(4)17)12(20-5)14-24(13,18)19/h5,9-12,14H,1-4H3,(H2,13,18,19)/t5-,9-,10+,11+,12-/m1/s1
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82n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349110
PNG
(CHEMBL1807498)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11-,12+,13+,14-/m1/s1
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85n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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250n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349116
PNG
(CHEMBL1807505)
Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@H]1OC(C)=O)NS(N)(=O)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,10-,11-,12-/m1/s1
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830n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349115
PNG
(CHEMBL1807504)
Show SMILES CC(=O)OC[C@H]1O[C@H](C[C@@H](OC(C)=O)[C@@H]1OC(C)=O)NS(N)(=O)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-6(15)20-5-10-12(22-8(3)17)9(21-7(2)16)4-11(23-10)14-24(13,18)19/h9-12,14H,4-5H2,1-3H3,(H2,13,18,19)/t9-,10-,11-,12+/m1/s1
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830n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349117
PNG
(CHEMBL1807501)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3+,4+,5-,6-/m1/s1
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940n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349113
PNG
(CHEMBL1807502)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3-,4+,5+,6-/m1/s1
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1.79E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM13055
PNG
(CHEMBL283695 | Compound 8 | Topiramate Sulfamide A...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1
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1.88E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349112
PNG
(CHEMBL1807500)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3-,4+,5-,6-/m1/s1
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1.97E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM13055
PNG
(CHEMBL283695 | Compound 8 | Topiramate Sulfamide A...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1
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2.14E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349114
PNG
(CHEMBL1807503)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O6S/c1-2-3(9)4(10)5(11)6(14-2)8-15(7,12)13/h2-6,8-11H,1H3,(H2,7,12,13)/t2-,3-,4+,5+,6-/m1/s1
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3.14E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM13055
PNG
(CHEMBL283695 | Compound 8 | Topiramate Sulfamide A...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1
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3.45E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349108
PNG
(CHEMBL1807496)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11-,12+,13-,14-/m1/s1
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3.71E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM13055
PNG
(CHEMBL283695 | Compound 8 | Topiramate Sulfamide A...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(CNS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1
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4.58E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349112
PNG
(CHEMBL1807500)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3-,4+,5-,6-/m1/s1
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4.68E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349113
PNG
(CHEMBL1807502)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3-,4+,5+,6-/m1/s1
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5.44E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50349112
PNG
(CHEMBL1807500)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3-,4+,5-,6-/m1/s1
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6.47E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 9-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349117
PNG
(CHEMBL1807501)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3+,4+,5-,6-/m1/s1
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8.23E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349109
PNG
(CHEMBL1807497)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11+,12+,13-,14-/m1/s1
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8.64E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349111
PNG
(CHEMBL1807499)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C12H20N2O9S/c1-5-9(21-6(2)15)10(22-7(3)16)11(23-8(4)17)12(20-5)14-24(13,18)19/h5,9-12,14H,1-4H3,(H2,13,18,19)/t5-,9-,10+,11+,12-/m1/s1
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9.53E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349110
PNG
(CHEMBL1807498)
Show SMILES CC(=O)OC[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C14H22N2O11S/c1-6(17)23-5-10-11(24-7(2)18)12(25-8(3)19)13(26-9(4)20)14(27-10)16-28(15,21)22/h10-14,16H,5H2,1-4H3,(H2,15,21,22)/t10-,11-,12+,13+,14-/m1/s1
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9.70E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50349114
PNG
(CHEMBL1807503)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O6S/c1-2-3(9)4(10)5(11)6(14-2)8-15(7,12)13/h2-6,8-11H,1H3,(H2,7,12,13)/t2-,3-,4+,5+,6-/m1/s1
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9.90E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane carbonic anhydrase 12-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349113
PNG
(CHEMBL1807502)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3-,4+,5+,6-/m1/s1
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2.12E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349114
PNG
(CHEMBL1807503)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O6S/c1-2-3(9)4(10)5(11)6(14-2)8-15(7,12)13/h2-6,8-11H,1H3,(H2,7,12,13)/t2-,3-,4+,5+,6-/m1/s1
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2.23E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50349117
PNG
(CHEMBL1807501)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3+,4+,5-,6-/m1/s1
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4.85E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 2-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349114
PNG
(CHEMBL1807503)
Show SMILES C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O6S/c1-2-3(9)4(10)5(11)6(14-2)8-15(7,12)13/h2-6,8-11H,1H3,(H2,7,12,13)/t2-,3-,4+,5+,6-/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349117
PNG
(CHEMBL1807501)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3+,4+,5-,6-/m1/s1
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6.58E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349112
PNG
(CHEMBL1807500)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3-,4+,5-,6-/m1/s1
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7.54E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50349113
PNG
(CHEMBL1807502)
Show SMILES NS(=O)(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C6H14N2O7S/c7-16(13,14)8-6-5(12)4(11)3(10)2(1-9)15-6/h2-6,8-12H,1H2,(H2,7,13,14)/t2-,3-,4+,5+,6-/m1/s1
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9.19E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cytosolic carbonic anhydrase 1-mediated CO2 hydration activity after 15 mins


Bioorg Med Chem Lett 21: 4447-50 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.031
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%