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PubMed code 25442309

Compile data set for download or QSAR
Found 120 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))
BDBM152638
PNG
(4-(1,3-Dioxoisoindolin-2-yl)benzenesulphonamide (1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C30H24N4S/c35-30(33-21-8-2-1-3-9-21)34-22-16-14-20(15-17-22)29(25-18-31-27-12-6-4-10-23(25)27)26-19-32-28-13-7-5-11-24(26)28/h1-19,29,31-32H,(H2,33,34,35)
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0.530n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035682
PNG
(CHEMBL2377786)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C15H12N2O4S/c16-22(20,21)11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9H2,(H2,16,20,21)
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0.550n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035684
PNG
(CHEMBL2377784)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(C2=O)c1ccc(cc1)S(N)(=O)=O |r,c:3|
Show InChI InChI=1/C14H14N2O4S/c15-21(19,20)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-2,5-8,11-12H,3-4H2,(H2,15,19,20)/t11-,12+
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0.570n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035674
PNG
(CHEMBL2377770)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C14H6Cl4N2O4S/c15-9-7-8(10(16)12(18)11(9)17)14(22)20(13(7)21)5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)
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0.600n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035685
PNG
(CHEMBL2377783)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(Cc1ccc(cc1)S(N)(=O)=O)C2=O |r,c:3|
Show InChI InChI=1/C15H16N2O4S/c16-22(20,21)11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-2,5-8,12-13H,3-4,9H2,(H2,16,20,21)/t12-,13+
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0.600n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035687
PNG
(CHEMBL2377781)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)CCC1=O
Show InChI InChI=1S/C10H10N2O4S/c11-17(15,16)8-3-1-7(2-4-8)12-9(13)5-6-10(12)14/h1-4H,5-6H2,(H2,11,15,16)
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0.630n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035683
PNG
(CHEMBL2377785)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(C2=O)c1ccc(cc1)C(O)=O |r,c:3|
Show InChI InChI=1/C15H13NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-2,5-8,11-12H,3-4H2,(H,19,20)/t11-,12+
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0.660n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035686
PNG
(CHEMBL2377782)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)CCC1=O
Show InChI InChI=1S/C11H9NO4/c13-9-5-6-10(14)12(9)8-3-1-7(2-4-8)11(15)16/h1-4H,5-6H2,(H,15,16)
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0.660n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035688
PNG
(CHEMBL2377780)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C11H12N2O4S/c12-18(16,17)9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7H2,(H2,12,16,17)
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0.680n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035673
PNG
(CHEMBL2377796)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)cc1
Show InChI InChI=1S/C15H8Cl4N2O4S/c16-10-8-9(11(17)13(19)12(10)18)15(23)21(14(8)22)5-6-1-3-7(4-2-6)26(20,24)25/h1-4H,5H2,(H2,20,24,25)
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0.690n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035694
PNG
(CHEMBL2377793)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
Show InChI InChI=1S/C15H10Cl2N2O4S/c16-12-5-10-11(6-13(12)17)15(21)19(14(10)20)7-8-1-3-9(4-2-8)24(18,22)23/h1-6H,7H2,(H2,18,22,23)
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0.770n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035671
PNG
(CHEMBL2377794)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
Show InChI InChI=1S/C14H8Cl2N2O4S/c15-11-5-9-10(6-12(11)16)14(20)18(13(9)19)7-1-3-8(4-2-7)23(17,21)22/h1-6H,(H2,17,21,22)
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0.780n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035681
PNG
(CHEMBL2377787)
Show SMILES Cc1ccc2C(=O)N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C16H14N2O4S/c1-10-2-7-13-14(8-10)16(20)18(15(13)19)9-11-3-5-12(6-4-11)23(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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0.850n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035693
PNG
(CHEMBL2377792)
Show SMILES CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H17NO4/c1-19(2,3)12-6-9-14-15(10-12)17(22)20(16(14)21)13-7-4-11(5-8-13)18(23)24/h4-10H,1-3H3,(H,23,24)
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0.900n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035680
PNG
(CHEMBL2377776)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2nccnc2C1=O
Show InChI InChI=1S/C12H8N4O4S/c13-21(19,20)8-3-1-7(2-4-8)16-11(17)9-10(12(16)18)15-6-5-14-9/h1-6H,(H2,13,19,20)
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0.930n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035678
PNG
(CHEMBL2377774)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C15H8N2O6/c18-13-11-6-5-10(17(22)23)7-12(11)14(19)16(13)9-3-1-8(2-4-9)15(20)21/h1-7H,(H,20,21)
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0.980n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035695
PNG
(CHEMBL2377777)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2nccnc2C1=O
Show InChI InChI=1S/C13H7N3O4/c17-11-9-10(15-6-5-14-9)12(18)16(11)8-3-1-7(2-4-8)13(19)20/h1-6H,(H,19,20)
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1n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035679
PNG
(CHEMBL2377775)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3nccnc3C2=O)cc1
Show InChI InChI=1S/C13H10N4O4S/c14-22(20,21)9-3-1-8(2-4-9)7-17-12(18)10-11(13(17)19)16-6-5-15-10/h1-6H,7H2,(H2,14,20,21)
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1n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035698
PNG
(CHEMBL2377779)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C18H12N2O4S/c19-25(23,24)13-9-7-12(8-10-13)20-17(21)14-5-1-3-11-4-2-6-15(16(11)14)18(20)22/h1-10H,(H2,19,23,24)
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1n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035697
PNG
(CHEMBL2377778)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1
Show InChI InChI=1S/C19H14N2O4S/c20-26(24,25)14-9-7-12(8-10-14)11-21-18(22)15-5-1-3-13-4-2-6-16(17(13)15)19(21)23/h1-10H,11H2,(H2,20,24,25)
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1.10n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035699
PNG
(CHEMBL1501298)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C19H11NO4/c21-17-14-5-1-3-11-4-2-6-15(16(11)14)18(22)20(17)13-9-7-12(8-10-13)19(23)24/h1-10H,(H,23,24)
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1.20n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM152638
PNG
(4-(1,3-Dioxoisoindolin-2-yl)benzenesulphonamide (1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C30H24N4S/c35-30(33-21-8-2-1-3-9-21)34-22-16-14-20(15-17-22)29(25-18-31-27-12-6-4-10-23(25)27)26-19-32-28-13-7-5-11-24(26)28/h1-19,29,31-32H,(H2,33,34,35)
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2.20n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035682
PNG
(CHEMBL2377786)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C15H12N2O4S/c16-22(20,21)11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9H2,(H2,16,20,21)
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2.30n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035692
PNG
(CHEMBL2377791)
Show SMILES CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-18(2,3)11-4-9-14-15(10-11)17(22)20(16(14)21)12-5-7-13(8-6-12)25(19,23)24/h4-10H,1-3H3,(H2,19,23,24)
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2.40n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035685
PNG
(CHEMBL2377783)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(Cc1ccc(cc1)S(N)(=O)=O)C2=O |r,c:3|
Show InChI InChI=1/C15H16N2O4S/c16-22(20,21)11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-2,5-8,12-13H,3-4,9H2,(H2,16,20,21)/t12-,13+
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2.60n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035674
PNG
(CHEMBL2377770)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C14H6Cl4N2O4S/c15-9-7-8(10(16)12(18)11(9)17)14(22)20(13(7)21)5-1-3-6(4-2-5)25(19,23)24/h1-4H,(H2,19,23,24)
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2.60n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035671
PNG
(CHEMBL2377794)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
Show InChI InChI=1S/C14H8Cl2N2O4S/c15-11-5-9-10(6-12(11)16)14(20)18(13(9)19)7-1-3-8(4-2-7)23(17,21)22/h1-6H,(H2,17,21,22)
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2.70n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035692
PNG
(CHEMBL2377791)
Show SMILES CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-18(2,3)11-4-9-14-15(10-11)17(22)20(16(14)21)12-5-7-13(8-6-12)25(19,23)24/h4-10H,1-3H3,(H2,19,23,24)
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2.70n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035680
PNG
(CHEMBL2377776)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2nccnc2C1=O
Show InChI InChI=1S/C12H8N4O4S/c13-21(19,20)8-3-1-7(2-4-8)16-11(17)9-10(12(16)18)15-6-5-14-9/h1-6H,(H2,13,19,20)
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2.90n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035673
PNG
(CHEMBL2377796)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)cc1
Show InChI InChI=1S/C15H8Cl4N2O4S/c16-10-8-9(11(17)13(19)12(10)18)15(23)21(14(8)22)5-6-1-3-7(4-2-6)26(20,24)25/h1-4H,5H2,(H2,20,24,25)
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3.10n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035691
PNG
(CHEMBL2377790)
Show SMILES CC(C)(C)c1ccc2C(=O)N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C19H20N2O4S/c1-19(2,3)13-6-9-15-16(10-13)18(23)21(17(15)22)11-12-4-7-14(8-5-12)26(20,24)25/h4-10H,11H2,1-3H3,(H2,20,24,25)
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3.10n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035691
PNG
(CHEMBL2377790)
Show SMILES CC(C)(C)c1ccc2C(=O)N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C19H20N2O4S/c1-19(2,3)13-6-9-15-16(10-13)18(23)21(17(15)22)11-12-4-7-14(8-5-12)26(20,24)25/h4-10H,11H2,1-3H3,(H2,20,24,25)
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3.10n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035694
PNG
(CHEMBL2377793)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
Show InChI InChI=1S/C15H10Cl2N2O4S/c16-12-5-10-11(6-13(12)17)15(21)19(14(10)20)7-8-1-3-9(4-2-8)24(18,22)23/h1-6H,7H2,(H2,18,22,23)
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3.20n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035689
PNG
(CHEMBL2377788)
Show SMILES Cc1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H12N2O4S/c1-9-2-7-12-13(8-9)15(19)17(14(12)18)10-3-5-11(6-4-10)22(16,20)21/h2-8H,1H3,(H2,16,20,21)
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3.30n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM152638
PNG
(4-(1,3-Dioxoisoindolin-2-yl)benzenesulphonamide (1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C30H24N4S/c35-30(33-21-8-2-1-3-9-21)34-22-16-14-20(15-17-22)29(25-18-31-27-12-6-4-10-23(25)27)26-19-32-28-13-7-5-11-24(26)28/h1-19,29,31-32H,(H2,33,34,35)
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3.80n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035682
PNG
(CHEMBL2377786)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C15H12N2O4S/c16-22(20,21)11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9H2,(H2,16,20,21)
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4.10n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035689
PNG
(CHEMBL2377788)
Show SMILES Cc1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H12N2O4S/c1-9-2-7-12-13(8-9)15(19)17(14(12)18)10-3-5-11(6-4-10)22(16,20)21/h2-8H,1H3,(H2,16,20,21)
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4.10n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035677
PNG
(CHEMBL2377773)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C14H9N3O6S/c15-24(22,23)10-4-1-8(2-5-10)16-13(18)11-6-3-9(17(20)21)7-12(11)14(16)19/h1-7H,(H2,15,22,23)
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4.30n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035675
PNG
(CHEMBL2377771)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C15H5Cl4NO4/c16-9-7-8(10(17)12(19)11(9)18)14(22)20(13(7)21)6-3-1-5(2-4-6)15(23)24/h1-4H,(H,23,24)
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4.40n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035684
PNG
(CHEMBL2377784)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(C2=O)c1ccc(cc1)S(N)(=O)=O |r,c:3|
Show InChI InChI=1/C14H14N2O4S/c15-21(19,20)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-2,5-8,11-12H,3-4H2,(H2,15,19,20)/t11-,12+
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4.40n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035683
PNG
(CHEMBL2377785)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(C2=O)c1ccc(cc1)C(O)=O |r,c:3|
Show InChI InChI=1/C15H13NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-2,5-8,11-12H,3-4H2,(H,19,20)/t11-,12+
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4.5n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035697
PNG
(CHEMBL2377778)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1
Show InChI InChI=1S/C19H14N2O4S/c20-26(24,25)14-9-7-12(8-10-14)11-21-18(22)15-5-1-3-13-4-2-6-16(17(13)15)19(21)23/h1-10H,11H2,(H2,20,24,25)
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4.60n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035684
PNG
(CHEMBL2377784)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(C2=O)c1ccc(cc1)S(N)(=O)=O |r,c:3|
Show InChI InChI=1/C14H14N2O4S/c15-21(19,20)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-2,5-8,11-12H,3-4H2,(H2,15,19,20)/t11-,12+
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4.80n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM45791
PNG
(4-(1,3-dioxo-2-isoindolyl)benzoic acid | 4-(1,3-di...)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)
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4.90n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035698
PNG
(CHEMBL2377779)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C18H12N2O4S/c19-25(23,24)13-9-7-12(8-10-13)20-17(21)14-5-1-3-11-4-2-6-15(16(11)14)18(20)22/h1-10H,(H2,19,23,24)
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4.90n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035671
PNG
(CHEMBL2377794)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
Show InChI InChI=1S/C14H8Cl2N2O4S/c15-11-5-9-10(6-12(11)16)14(20)18(13(9)19)7-1-3-8(4-2-7)23(17,21)22/h1-6H,(H2,17,21,22)
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5.10n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035697
PNG
(CHEMBL2377778)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1
Show InChI InChI=1S/C19H14N2O4S/c20-26(24,25)14-9-7-12(8-10-14)11-21-18(22)15-5-1-3-13-4-2-6-16(17(13)15)19(21)23/h1-10H,11H2,(H2,20,24,25)
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5.30n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035692
PNG
(CHEMBL2377791)
Show SMILES CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-18(2,3)11-4-9-14-15(10-11)17(22)20(16(14)21)12-5-7-13(8-6-12)25(19,23)24/h4-10H,1-3H3,(H2,19,23,24)
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5.60n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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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5.70n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035699
PNG
(CHEMBL1501298)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C19H11NO4/c21-17-14-5-1-3-11-4-2-6-15(16(11)14)18(22)20(17)13-9-7-12(8-10-13)19(23)24/h1-10H,(H,23,24)
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5.90n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035679
PNG
(CHEMBL2377775)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3nccnc3C2=O)cc1
Show InChI InChI=1S/C13H10N4O4S/c14-22(20,21)9-3-1-8(2-4-9)7-17-12(18)10-11(13(17)19)16-6-5-15-10/h1-6H,7H2,(H2,14,20,21)
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5.90n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035681
PNG
(CHEMBL2377787)
Show SMILES Cc1ccc2C(=O)N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C16H14N2O4S/c1-10-2-7-13-14(8-10)16(20)18(15(13)19)9-11-3-5-12(6-4-11)23(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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5.90n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035691
PNG
(CHEMBL2377790)
Show SMILES CC(C)(C)c1ccc2C(=O)N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C19H20N2O4S/c1-19(2,3)13-6-9-15-16(10-13)18(23)21(17(15)22)11-12-4-7-14(8-5-12)26(20,24)25/h4-10H,11H2,1-3H3,(H2,20,24,25)
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6.20n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035689
PNG
(CHEMBL2377788)
Show SMILES Cc1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H12N2O4S/c1-9-2-7-12-13(8-9)15(19)17(14(12)18)10-3-5-11(6-4-10)22(16,20)21/h2-8H,1H3,(H2,16,20,21)
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7.80n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035680
PNG
(CHEMBL2377776)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2nccnc2C1=O
Show InChI InChI=1S/C12H8N4O4S/c13-21(19,20)8-3-1-7(2-4-8)16-11(17)9-10(12(16)18)15-6-5-14-9/h1-6H,(H2,13,19,20)
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8.60n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035685
PNG
(CHEMBL2377783)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(Cc1ccc(cc1)S(N)(=O)=O)C2=O |r,c:3|
Show InChI InChI=1/C15H16N2O4S/c16-22(20,21)11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-2,5-8,12-13H,3-4,9H2,(H2,16,20,21)/t12-,13+
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9.10n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035687
PNG
(CHEMBL2377781)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)CCC1=O
Show InChI InChI=1S/C10H10N2O4S/c11-17(15,16)8-3-1-7(2-4-8)12-9(13)5-6-10(12)14/h1-4H,5-6H2,(H2,11,15,16)
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10n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035694
PNG
(CHEMBL2377793)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
Show InChI InChI=1S/C15H10Cl2N2O4S/c16-12-5-10-11(6-13(12)17)15(21)19(14(10)20)7-8-1-3-9(4-2-8)24(18,22)23/h1-6H,7H2,(H2,18,22,23)
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11n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035687
PNG
(CHEMBL2377781)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)CCC1=O
Show InChI InChI=1S/C10H10N2O4S/c11-17(15,16)8-3-1-7(2-4-8)12-9(13)5-6-10(12)14/h1-4H,5-6H2,(H2,11,15,16)
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11n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
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



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM45791
PNG
(4-(1,3-dioxo-2-isoindolyl)benzoic acid | 4-(1,3-di...)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)
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19n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035692
PNG
(CHEMBL2377791)
Show SMILES CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-18(2,3)11-4-9-14-15(10-11)17(22)20(16(14)21)12-5-7-13(8-6-12)25(19,23)24/h4-10H,1-3H3,(H2,19,23,24)
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21n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035695
PNG
(CHEMBL2377777)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2nccnc2C1=O
Show InChI InChI=1S/C13H7N3O4/c17-11-9-10(15-6-5-14-9)12(18)16(11)8-3-1-7(2-4-8)13(19)20/h1-6H,(H,19,20)
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22n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035681
PNG
(CHEMBL2377787)
Show SMILES Cc1ccc2C(=O)N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C16H14N2O4S/c1-10-2-7-13-14(8-10)16(20)18(15(13)19)9-11-3-5-12(6-4-11)23(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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22n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035691
PNG
(CHEMBL2377790)
Show SMILES CC(C)(C)c1ccc2C(=O)N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C19H20N2O4S/c1-19(2,3)13-6-9-15-16(10-13)18(23)21(17(15)22)11-12-4-7-14(8-5-12)26(20,24)25/h4-10H,11H2,1-3H3,(H2,20,24,25)
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22n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035671
PNG
(CHEMBL2377794)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
Show InChI InChI=1S/C14H8Cl2N2O4S/c15-11-5-9-10(6-12(11)16)14(20)18(13(9)19)7-1-3-8(4-2-7)23(17,21)22/h1-6H,(H2,17,21,22)
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24n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
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



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035689
PNG
(CHEMBL2377788)
Show SMILES Cc1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H12N2O4S/c1-9-2-7-12-13(8-9)15(19)17(14(12)18)10-3-5-11(6-4-10)22(16,20)21/h2-8H,1H3,(H2,16,20,21)
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25n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035675
PNG
(CHEMBL2377771)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C15H5Cl4NO4/c16-9-7-8(10(17)12(19)11(9)18)14(22)20(13(7)21)6-3-1-5(2-4-6)15(23)24/h1-4H,(H,23,24)
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26n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035681
PNG
(CHEMBL2377787)
Show SMILES Cc1ccc2C(=O)N(Cc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C16H14N2O4S/c1-10-2-7-13-14(8-10)16(20)18(15(13)19)9-11-3-5-12(6-4-11)23(17,21)22/h2-8H,9H2,1H3,(H2,17,21,22)
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26n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035690
PNG
(CHEMBL2377789)
Show SMILES Cc1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C16H11NO4/c1-9-2-7-12-13(8-9)15(19)17(14(12)18)11-5-3-10(4-6-11)16(20)21/h2-8H,1H3,(H,20,21)
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26n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035672
PNG
(CHEMBL2377795)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
Show InChI InChI=1S/C15H7Cl2NO4/c16-11-5-9-10(6-12(11)17)14(20)18(13(9)19)8-3-1-7(2-4-8)15(21)22/h1-6H,(H,21,22)
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27n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035694
PNG
(CHEMBL2377793)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
Show InChI InChI=1S/C15H10Cl2N2O4S/c16-12-5-10-11(6-13(12)17)15(21)19(14(10)20)7-8-1-3-9(4-2-8)24(18,22)23/h1-6H,7H2,(H2,18,22,23)
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28n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035688
PNG
(CHEMBL2377780)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C11H12N2O4S/c12-18(16,17)9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7H2,(H2,12,16,17)
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28n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035675
PNG
(CHEMBL2377771)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C15H5Cl4NO4/c16-9-7-8(10(17)12(19)11(9)18)14(22)20(13(7)21)6-3-1-5(2-4-6)15(23)24/h1-4H,(H,23,24)
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28n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035688
PNG
(CHEMBL2377780)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C11H12N2O4S/c12-18(16,17)9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7H2,(H2,12,16,17)
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29n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM152638
PNG
(4-(1,3-Dioxoisoindolin-2-yl)benzenesulphonamide (1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C30H24N4S/c35-30(33-21-8-2-1-3-9-21)34-22-16-14-20(15-17-22)29(25-18-31-27-12-6-4-10-23(25)27)26-19-32-28-13-7-5-11-24(26)28/h1-19,29,31-32H,(H2,33,34,35)
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29n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM45791
PNG
(4-(1,3-dioxo-2-isoindolyl)benzoic acid | 4-(1,3-di...)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)
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30n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035672
PNG
(CHEMBL2377795)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
Show InChI InChI=1S/C15H7Cl2NO4/c16-11-5-9-10(6-12(11)17)14(20)18(13(9)19)8-3-1-7(2-4-8)15(21)22/h1-6H,(H,21,22)
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30n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035683
PNG
(CHEMBL2377785)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(C2=O)c1ccc(cc1)C(O)=O |r,c:3|
Show InChI InChI=1/C15H13NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-2,5-8,11-12H,3-4H2,(H,19,20)/t11-,12+
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30n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035684
PNG
(CHEMBL2377784)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(C2=O)c1ccc(cc1)S(N)(=O)=O |r,c:3|
Show InChI InChI=1/C14H14N2O4S/c15-21(19,20)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-2,5-8,11-12H,3-4H2,(H2,15,19,20)/t11-,12+
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31n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035682
PNG
(CHEMBL2377786)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C15H12N2O4S/c16-22(20,21)11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9H2,(H2,16,20,21)
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31n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035685
PNG
(CHEMBL2377783)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(Cc1ccc(cc1)S(N)(=O)=O)C2=O |r,c:3|
Show InChI InChI=1/C15H16N2O4S/c16-22(20,21)11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-2,5-8,12-13H,3-4,9H2,(H2,16,20,21)/t12-,13+
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34n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035687
PNG
(CHEMBL2377781)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)CCC1=O
Show InChI InChI=1S/C10H10N2O4S/c11-17(15,16)8-3-1-7(2-4-8)12-9(13)5-6-10(12)14/h1-4H,5-6H2,(H2,11,15,16)
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36n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035678
PNG
(CHEMBL2377774)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C15H8N2O6/c18-13-11-6-5-10(17(22)23)7-12(11)14(19)16(13)9-3-1-8(2-4-9)15(20)21/h1-7H,(H,20,21)
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40n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035672
PNG
(CHEMBL2377795)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
Show InChI InChI=1S/C15H7Cl2NO4/c16-11-5-9-10(6-12(11)17)14(20)18(13(9)19)8-3-1-7(2-4-8)15(21)22/h1-6H,(H,21,22)
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42n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035679
PNG
(CHEMBL2377775)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3nccnc3C2=O)cc1
Show InChI InChI=1S/C13H10N4O4S/c14-22(20,21)9-3-1-8(2-4-9)7-17-12(18)10-11(13(17)19)16-6-5-15-10/h1-6H,7H2,(H2,14,20,21)
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47n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035698
PNG
(CHEMBL2377779)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C18H12N2O4S/c19-25(23,24)13-9-7-12(8-10-13)20-17(21)14-5-1-3-11-4-2-6-15(16(11)14)18(20)22/h1-10H,(H2,19,23,24)
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49n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035690
PNG
(CHEMBL2377789)
Show SMILES Cc1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C16H11NO4/c1-9-2-7-12-13(8-9)15(19)17(14(12)18)11-5-3-10(4-6-11)16(20)21/h2-8H,1H3,(H,20,21)
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80n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035677
PNG
(CHEMBL2377773)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C14H9N3O6S/c15-24(22,23)10-4-1-8(2-5-10)16-13(18)11-6-3-9(17(20)21)7-12(11)14(16)19/h1-7H,(H2,15,22,23)
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91n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50035676
PNG
(CHEMBL2377772)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H11N3O6S/c16-25(23,24)11-4-1-9(2-5-11)8-17-14(19)12-6-3-10(18(21)22)7-13(12)15(17)20/h1-7H,8H2,(H2,16,23,24)
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119n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035693
PNG
(CHEMBL2377792)
Show SMILES CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H17NO4/c1-19(2,3)12-6-9-14-15(10-12)17(22)20(16(14)21)13-7-4-11(5-8-13)18(23)24/h4-10H,1-3H3,(H,23,24)
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126n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035686
PNG
(CHEMBL2377782)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)CCC1=O
Show InChI InChI=1S/C11H9NO4/c13-9-5-6-10(14)12(9)8-3-1-7(2-4-8)11(15)16/h1-4H,5-6H2,(H,15,16)
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147n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM45791
PNG
(4-(1,3-dioxo-2-isoindolyl)benzoic acid | 4-(1,3-di...)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)
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166n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035688
PNG
(CHEMBL2377780)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C11H12N2O4S/c12-18(16,17)9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7H2,(H2,12,16,17)
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176n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035683
PNG
(CHEMBL2377785)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=O)N(C2=O)c1ccc(cc1)C(O)=O |r,c:3|
Show InChI InChI=1/C15H13NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-2,5-8,11-12H,3-4H2,(H,19,20)/t11-,12+
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190n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035676
PNG
(CHEMBL2377772)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H11N3O6S/c16-25(23,24)11-4-1-9(2-5-11)8-17-14(19)12-6-3-10(18(21)22)7-13(12)15(17)20/h1-7H,8H2,(H2,16,23,24)
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238n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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250n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035680
PNG
(CHEMBL2377776)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2nccnc2C1=O
Show InChI InChI=1S/C12H8N4O4S/c13-21(19,20)8-3-1-7(2-4-8)16-11(17)9-10(12(16)18)15-6-5-14-9/h1-6H,(H2,13,19,20)
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262n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035677
PNG
(CHEMBL2377773)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C14H9N3O6S/c15-24(22,23)10-4-1-8(2-5-10)16-13(18)11-6-3-9(17(20)21)7-12(11)14(16)19/h1-7H,(H2,15,22,23)
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318n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035690
PNG
(CHEMBL2377789)
Show SMILES Cc1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C16H11NO4/c1-9-2-7-12-13(8-9)15(19)17(14(12)18)11-5-3-10(4-6-11)16(20)21/h2-8H,1H3,(H,20,21)
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350n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035676
PNG
(CHEMBL2377772)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H11N3O6S/c16-25(23,24)11-4-1-9(2-5-11)8-17-14(19)12-6-3-10(18(21)22)7-13(12)15(17)20/h1-7H,8H2,(H2,16,23,24)
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403n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035697
PNG
(CHEMBL2377778)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1
Show InChI InChI=1S/C19H14N2O4S/c20-26(24,25)14-9-7-12(8-10-14)11-21-18(22)15-5-1-3-13-4-2-6-16(17(13)15)19(21)23/h1-10H,11H2,(H2,20,24,25)
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404n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035693
PNG
(CHEMBL2377792)
Show SMILES CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H17NO4/c1-19(2,3)12-6-9-14-15(10-12)17(22)20(16(14)21)13-7-4-11(5-8-13)18(23)24/h4-10H,1-3H3,(H,23,24)
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428n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035679
PNG
(CHEMBL2377775)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3nccnc3C2=O)cc1
Show InChI InChI=1S/C13H10N4O4S/c14-22(20,21)9-3-1-8(2-4-9)7-17-12(18)10-11(13(17)19)16-6-5-15-10/h1-6H,7H2,(H2,14,20,21)
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489n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035686
PNG
(CHEMBL2377782)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)CCC1=O
Show InChI InChI=1S/C11H9NO4/c13-9-5-6-10(14)12(9)8-3-1-7(2-4-8)11(15)16/h1-4H,5-6H2,(H,15,16)
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506n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035690
PNG
(CHEMBL2377789)
Show SMILES Cc1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C16H11NO4/c1-9-2-7-12-13(8-9)15(19)17(14(12)18)11-5-3-10(4-6-11)16(20)21/h2-8H,1H3,(H,20,21)
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>1.00E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035678
PNG
(CHEMBL2377774)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C15H8N2O6/c18-13-11-6-5-10(17(22)23)7-12(11)14(19)16(13)9-3-1-8(2-4-9)15(20)21/h1-7H,(H,20,21)
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>1.00E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035695
PNG
(CHEMBL2377777)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2nccnc2C1=O
Show InChI InChI=1S/C13H7N3O4/c17-11-9-10(15-6-5-14-9)12(18)16(11)8-3-1-7(2-4-8)13(19)20/h1-6H,(H,19,20)
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>1.00E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035698
PNG
(CHEMBL2377779)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C18H12N2O4S/c19-25(23,24)13-9-7-12(8-10-13)20-17(21)14-5-1-3-11-4-2-6-15(16(11)14)18(20)22/h1-10H,(H2,19,23,24)
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>1.00E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50035699
PNG
(CHEMBL1501298)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C19H11NO4/c21-17-14-5-1-3-11-4-2-6-15(16(11)14)18(22)20(17)13-9-7-12(8-10-13)19(23)24/h1-10H,(H,23,24)
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>1.00E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035678
PNG
(CHEMBL2377774)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C15H8N2O6/c18-13-11-6-5-10(17(22)23)7-12(11)14(19)16(13)9-3-1-8(2-4-9)15(20)21/h1-7H,(H,20,21)
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>1.00E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035672
PNG
(CHEMBL2377795)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
Show InChI InChI=1S/C15H7Cl2NO4/c16-11-5-9-10(6-12(11)17)14(20)18(13(9)19)8-3-1-7(2-4-8)15(21)22/h1-6H,(H,21,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035693
PNG
(CHEMBL2377792)
Show SMILES CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C19H17NO4/c1-19(2,3)12-6-9-14-15(10-12)17(22)20(16(14)21)13-7-4-11(5-8-13)18(23)24/h4-10H,1-3H3,(H,23,24)
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>1.00E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035686
PNG
(CHEMBL2377782)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)CCC1=O
Show InChI InChI=1S/C11H9NO4/c13-9-5-6-10(14)12(9)8-3-1-7(2-4-8)11(15)16/h1-4H,5-6H2,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035699
PNG
(CHEMBL1501298)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C19H11NO4/c21-17-14-5-1-3-11-4-2-6-15(16(11)14)18(22)20(17)13-9-7-12(8-10-13)19(23)24/h1-10H,(H,23,24)
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>1.00E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035695
PNG
(CHEMBL2377777)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2nccnc2C1=O
Show InChI InChI=1S/C13H7N3O4/c17-11-9-10(15-6-5-14-9)12(18)16(11)8-3-1-7(2-4-8)13(19)20/h1-6H,(H,19,20)
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>1.00E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50035675
PNG
(CHEMBL2377771)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C15H5Cl4NO4/c16-9-7-8(10(17)12(19)11(9)18)14(22)20(13(7)21)6-3-1-5(2-4-6)15(23)24/h1-4H,(H,23,24)
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>1.00E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035677
PNG
(CHEMBL2377773)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C14H9N3O6S/c15-24(22,23)10-4-1-8(2-5-10)16-13(18)11-6-3-9(17(20)21)7-12(11)14(16)19/h1-7H,(H2,15,22,23)
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PubMed
8.65E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50035676
PNG
(CHEMBL2377772)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H11N3O6S/c16-25(23,24)11-4-1-9(2-5-11)8-17-14(19)12-6-3-10(18(21)22)7-13(12)15(17)20/h1-7H,8H2,(H2,16,23,24)
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8.84E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%