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PubMed code 28161252

Compile data set for download or QSAR
Found 64 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 anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234449
PNG
(CHEMBL4078596)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1
Show InChI InChI=1S/C16H18N2O4S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-2,5-8,13-14H,3-4,9-10H2,(H2,17,21,22)/t13-,14+
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5n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(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 recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234452
PNG
(CHEMBL4066940)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
Show InChI InChI=1S/C15H8Cl6N2O4S/c16-9-10(17)14(19)8-7(13(9,18)15(14,20)21)11(24)23(12(8)25)5-1-3-6(4-2-5)28(22,26)27/h1-4,7-8H,(H2,22,26,27)
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14n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234448
PNG
(CHEMBL4079688)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)cc1
Show InChI InChI=1S/C16H10Cl6N2O4S/c17-10-11(18)15(20)9-8(14(10,19)16(15,21)22)12(25)24(13(9)26)5-6-1-3-7(4-2-6)29(23,27)28/h1-4,8-9H,5H2,(H2,23,27,28)
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17n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234451
PNG
(CHEMBL4103944)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)cc1
Show InChI InChI=1S/C17H12Cl6N2O4S/c18-11-12(19)16(21)10-9(15(11,20)17(16,22)23)13(26)25(14(10)27)6-5-7-1-3-8(4-2-7)30(24,28)29/h1-4,9-10H,5-6H2,(H2,24,28,29)
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23n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(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 recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234452
PNG
(CHEMBL4066940)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
Show InChI InChI=1S/C15H8Cl6N2O4S/c16-9-10(17)14(19)8-7(13(9,18)15(14,20)21)11(24)23(12(8)25)5-1-3-6(4-2-5)28(22,26)27/h1-4,7-8H,(H2,22,26,27)
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42n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234458
PNG
(CHEMBL4101260)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H14N2O4S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-8H,9-10H2,(H2,17,21,22)
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49n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50234449
PNG
(CHEMBL4078596)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1
Show InChI InChI=1S/C16H18N2O4S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-2,5-8,13-14H,3-4,9-10H2,(H2,17,21,22)/t13-,14+
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49n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234448
PNG
(CHEMBL4079688)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)cc1
Show InChI InChI=1S/C16H10Cl6N2O4S/c17-10-11(18)15(20)9-8(14(10,19)16(15,21)22)12(25)24(13(9)26)5-6-1-3-7(4-2-6)29(23,27)28/h1-4,8-9H,5H2,(H2,23,27,28)
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55n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234457
PNG
(CHEMBL4091049)
Show SMILES Cc1ccc2C(=O)N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C17H16N2O4S/c1-11-2-7-14-15(10-11)17(21)19(16(14)20)9-8-12-3-5-13(6-4-12)24(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)
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61n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234455
PNG
(CHEMBL2414438)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)cc1
Show InChI InChI=1S/C16H10Cl4N2O4S/c17-11-9-10(12(18)14(20)13(11)19)16(24)22(15(9)23)6-5-7-1-3-8(4-2-7)27(21,25)26/h1-4H,5-6H2,(H2,21,25,26)
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68n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234450
PNG
(CHEMBL1905680)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C12H14N2O4S/c13-19(17,18)10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-4H,5-8H2,(H2,13,17,18)
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74n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(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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74n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234456
PNG
(CHEMBL4064210)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
Show InChI InChI=1S/C16H12Cl2N2O4S/c17-13-7-11-12(8-14(13)18)16(22)20(15(11)21)6-5-9-1-3-10(4-2-9)25(19,23)24/h1-4,7-8H,5-6H2,(H2,19,23,24)
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79n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50234452
PNG
(CHEMBL4066940)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
Show InChI InChI=1S/C15H8Cl6N2O4S/c16-9-10(17)14(19)8-7(13(9,18)15(14,20)21)11(24)23(12(8)25)5-1-3-6(4-2-5)28(22,26)27/h1-4,7-8H,(H2,22,26,27)
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83n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234460
PNG
(CHEMBL4096617)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)C=CC2=O)cc1
Show InChI InChI=1S/C12H12N2O4S/c13-19(17,18)10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-6H,7-8H2,(H2,13,17,18)
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85n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234453
PNG
(CHEMBL4080077)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3cccc(c3C2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H13N3O6S/c17-26(24,25)11-6-4-10(5-7-11)8-9-18-15(20)12-2-1-3-13(19(22)23)14(12)16(18)21/h1-7H,8-9H2,(H2,17,24,25)
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85n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234461
PNG
(CHEMBL4063164)
Show SMILES CC(C)(C)c1ccc2C(=O)N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C20H22N2O4S/c1-20(2,3)14-6-9-16-17(12-14)19(24)22(18(16)23)11-10-13-4-7-15(8-5-13)27(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)
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90n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50234461
PNG
(CHEMBL4063164)
Show SMILES CC(C)(C)c1ccc2C(=O)N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C20H22N2O4S/c1-20(2,3)14-6-9-16-17(12-14)19(24)22(18(16)23)11-10-13-4-7-15(8-5-13)27(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)
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96n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234451
PNG
(CHEMBL4103944)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)cc1
Show InChI InChI=1S/C17H12Cl6N2O4S/c18-11-12(19)16(21)10-9(15(11,20)17(16,22)23)13(26)25(14(10)27)6-5-7-1-3-8(4-2-7)30(24,28)29/h1-4,9-10H,5-6H2,(H2,24,28,29)
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114n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234462
PNG
(CHEMBL3113927)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H13N3O6S/c17-26(24,25)12-4-1-10(2-5-12)7-8-18-15(20)13-6-3-11(19(22)23)9-14(13)16(18)21/h1-6,9H,7-8H2,(H2,17,24,25)
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140n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50234453
PNG
(CHEMBL4080077)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3cccc(c3C2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H13N3O6S/c17-26(24,25)11-6-4-10(5-7-11)8-9-18-15(20)12-2-1-3-13(19(22)23)14(12)16(18)21/h1-7H,8-9H2,(H2,17,24,25)
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179n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50234448
PNG
(CHEMBL4079688)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)cc1
Show InChI InChI=1S/C16H10Cl6N2O4S/c17-10-11(18)15(20)9-8(14(10,19)16(15,21)22)12(25)24(13(9)26)5-6-1-3-7(4-2-6)29(23,27)28/h1-4,8-9H,5H2,(H2,23,27,28)
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201n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase


(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 recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234460
PNG
(CHEMBL4096617)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)C=CC2=O)cc1
Show InChI InChI=1S/C12H12N2O4S/c13-19(17,18)10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-6H,7-8H2,(H2,13,17,18)
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274n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234455
PNG
(CHEMBL2414438)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)cc1
Show InChI InChI=1S/C16H10Cl4N2O4S/c17-11-9-10(12(18)14(20)13(11)19)16(24)22(15(9)23)6-5-7-1-3-8(4-2-7)27(21,25)26/h1-4H,5-6H2,(H2,21,25,26)
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284n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234458
PNG
(CHEMBL4101260)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H14N2O4S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-8H,9-10H2,(H2,17,21,22)
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296n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234450
PNG
(CHEMBL1905680)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C12H14N2O4S/c13-19(17,18)10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-4H,5-8H2,(H2,13,17,18)
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296n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234449
PNG
(CHEMBL4078596)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1
Show InChI InChI=1S/C16H18N2O4S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-2,5-8,13-14H,3-4,9-10H2,(H2,17,21,22)/t13-,14+
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296n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234457
PNG
(CHEMBL4091049)
Show SMILES Cc1ccc2C(=O)N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C17H16N2O4S/c1-11-2-7-14-15(10-11)17(21)19(16(14)20)9-8-12-3-5-13(6-4-12)24(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)
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390n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50234452
PNG
(CHEMBL4066940)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
Show InChI InChI=1S/C15H8Cl6N2O4S/c16-9-10(17)14(19)8-7(13(9,18)15(14,20)21)11(24)23(12(8)25)5-1-3-6(4-2-5)28(22,26)27/h1-4,7-8H,(H2,22,26,27)
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390n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50234457
PNG
(CHEMBL4091049)
Show SMILES Cc1ccc2C(=O)N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C17H16N2O4S/c1-11-2-7-14-15(10-11)17(21)19(16(14)20)9-8-12-3-5-13(6-4-12)24(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)
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425n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234459
PNG
(CHEMBL4083255)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3nccnc3C2=O)cc1
Show InChI InChI=1S/C14H12N4O4S/c15-23(21,22)10-3-1-9(2-4-10)5-8-18-13(19)11-12(14(18)20)17-7-6-16-11/h1-4,6-7H,5,8H2,(H2,15,21,22)
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426n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234456
PNG
(CHEMBL4064210)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
Show InChI InChI=1S/C16H12Cl2N2O4S/c17-13-7-11-12(8-14(13)18)16(22)20(15(11)21)6-5-9-1-3-10(4-2-9)25(19,23)24/h1-4,7-8H,5-6H2,(H2,19,23,24)
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428n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50234456
PNG
(CHEMBL4064210)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
Show InChI InChI=1S/C16H12Cl2N2O4S/c17-13-7-11-12(8-14(13)18)16(22)20(15(11)21)6-5-9-1-3-10(4-2-9)25(19,23)24/h1-4,7-8H,5-6H2,(H2,19,23,24)
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435n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50234459
PNG
(CHEMBL4083255)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3nccnc3C2=O)cc1
Show InChI InChI=1S/C14H12N4O4S/c15-23(21,22)10-3-1-9(2-4-10)5-8-18-13(19)11-12(14(18)20)17-7-6-16-11/h1-4,6-7H,5,8H2,(H2,15,21,22)
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441n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50234450
PNG
(CHEMBL1905680)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C12H14N2O4S/c13-19(17,18)10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-4H,5-8H2,(H2,13,17,18)
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446n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234461
PNG
(CHEMBL4063164)
Show SMILES CC(C)(C)c1ccc2C(=O)N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C20H22N2O4S/c1-20(2,3)14-6-9-16-17(12-14)19(24)22(18(16)23)11-10-13-4-7-15(8-5-13)27(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)
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459n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50234451
PNG
(CHEMBL4103944)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)cc1
Show InChI InChI=1S/C17H12Cl6N2O4S/c18-11-12(19)16(21)10-9(15(11,20)17(16,22)23)13(26)25(14(10)27)6-5-7-1-3-8(4-2-7)30(24,28)29/h1-4,9-10H,5-6H2,(H2,24,28,29)
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484n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50234458
PNG
(CHEMBL4101260)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H14N2O4S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-8H,9-10H2,(H2,17,21,22)
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491n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50234455
PNG
(CHEMBL2414438)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)cc1
Show InChI InChI=1S/C16H10Cl4N2O4S/c17-11-9-10(12(18)14(20)13(11)19)16(24)22(15(9)23)6-5-7-1-3-8(4-2-7)27(21,25)26/h1-4H,5-6H2,(H2,21,25,26)
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562n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50234460
PNG
(CHEMBL4096617)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)C=CC2=O)cc1
Show InChI InChI=1S/C12H12N2O4S/c13-19(17,18)10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-6H,7-8H2,(H2,13,17,18)
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617n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234454
PNG
(CHEMBL2424832)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3c(C2=O)c(Br)c(Br)c(Br)c3Br)cc1
Show InChI InChI=1S/C16H10Br4N2O4S/c17-11-9-10(12(18)14(20)13(11)19)16(24)22(15(9)23)6-5-7-1-3-8(4-2-7)27(21,25)26/h1-4H,5-6H2,(H2,21,25,26)
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693n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50234462
PNG
(CHEMBL3113927)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H13N3O6S/c17-26(24,25)12-4-1-10(2-5-12)7-8-18-15(20)13-6-3-11(19(22)23)9-14(13)16(18)21/h1-6,9H,7-8H2,(H2,17,24,25)
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865n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50234448
PNG
(CHEMBL4079688)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)cc1
Show InChI InChI=1S/C16H10Cl6N2O4S/c17-10-11(18)15(20)9-8(14(10,19)16(15,21)22)12(25)24(13(9)26)5-6-1-3-7(4-2-6)29(23,27)28/h1-4,8-9H,5H2,(H2,23,27,28)
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912n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50234449
PNG
(CHEMBL4078596)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1
Show InChI InChI=1S/C16H18N2O4S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-2,5-8,13-14H,3-4,9-10H2,(H2,17,21,22)/t13-,14+
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973n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234462
PNG
(CHEMBL3113927)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H13N3O6S/c17-26(24,25)12-4-1-10(2-5-12)7-8-18-15(20)13-6-3-11(19(22)23)9-14(13)16(18)21/h1-6,9H,7-8H2,(H2,17,24,25)
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1.64E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234454
PNG
(CHEMBL2424832)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3c(C2=O)c(Br)c(Br)c(Br)c3Br)cc1
Show InChI InChI=1S/C16H10Br4N2O4S/c17-11-9-10(12(18)14(20)13(11)19)16(24)22(15(9)23)6-5-7-1-3-8(4-2-7)27(21,25)26/h1-4H,5-6H2,(H2,21,25,26)
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2.39E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234453
PNG
(CHEMBL4080077)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3cccc(c3C2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H13N3O6S/c17-26(24,25)11-6-4-10(5-7-11)8-9-18-15(20)12-2-1-3-13(19(22)23)14(12)16(18)21/h1-7H,8-9H2,(H2,17,24,25)
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2.67E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50234457
PNG
(CHEMBL4091049)
Show SMILES Cc1ccc2C(=O)N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C17H16N2O4S/c1-11-2-7-14-15(10-11)17(21)19(16(14)20)9-8-12-3-5-13(6-4-12)24(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)
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2.93E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50234459
PNG
(CHEMBL4083255)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3nccnc3C2=O)cc1
Show InChI InChI=1S/C14H12N4O4S/c15-23(21,22)10-3-1-9(2-4-10)5-8-18-13(19)11-12(14(18)20)17-7-6-16-11/h1-4,6-7H,5,8H2,(H2,15,21,22)
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4.19E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50234460
PNG
(CHEMBL4096617)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)C=CC2=O)cc1
Show InChI InChI=1S/C12H12N2O4S/c13-19(17,18)10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-6H,7-8H2,(H2,13,17,18)
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4.85E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50234454
PNG
(CHEMBL2424832)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3c(C2=O)c(Br)c(Br)c(Br)c3Br)cc1
Show InChI InChI=1S/C16H10Br4N2O4S/c17-11-9-10(12(18)14(20)13(11)19)16(24)22(15(9)23)6-5-7-1-3-8(4-2-7)27(21,25)26/h1-4H,5-6H2,(H2,21,25,26)
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5.12E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50234458
PNG
(CHEMBL4101260)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H14N2O4S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-8H,9-10H2,(H2,17,21,22)
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5.46E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50234451
PNG
(CHEMBL4103944)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)C3C(C2=O)C2(Cl)C(Cl)=C(Cl)C3(Cl)C2(Cl)Cl)cc1
Show InChI InChI=1S/C17H12Cl6N2O4S/c18-11-12(19)16(21)10-9(15(11,20)17(16,22)23)13(26)25(14(10)27)6-5-7-1-3-8(4-2-7)30(24,28)29/h1-4,9-10H,5-6H2,(H2,24,28,29)
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6.76E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50234462
PNG
(CHEMBL3113927)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H13N3O6S/c17-26(24,25)12-4-1-10(2-5-12)7-8-18-15(20)13-6-3-11(19(22)23)9-14(13)16(18)21/h1-6,9H,7-8H2,(H2,17,24,25)
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8.18E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50234453
PNG
(CHEMBL4080077)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3cccc(c3C2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H13N3O6S/c17-26(24,25)11-6-4-10(5-7-11)8-9-18-15(20)12-2-1-3-13(19(22)23)14(12)16(18)21/h1-7H,8-9H2,(H2,17,24,25)
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8.52E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50234454
PNG
(CHEMBL2424832)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3c(C2=O)c(Br)c(Br)c(Br)c3Br)cc1
Show InChI InChI=1S/C16H10Br4N2O4S/c17-11-9-10(12(18)14(20)13(11)19)16(24)22(15(9)23)6-5-7-1-3-8(4-2-7)27(21,25)26/h1-4H,5-6H2,(H2,21,25,26)
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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 recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50234455
PNG
(CHEMBL2414438)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)cc1
Show InChI InChI=1S/C16H10Cl4N2O4S/c17-11-9-10(12(18)14(20)13(11)19)16(24)22(15(9)23)6-5-7-1-3-8(4-2-7)27(21,25)26/h1-4H,5-6H2,(H2,21,25,26)
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9.23E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50234456
PNG
(CHEMBL4064210)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
Show InChI InChI=1S/C16H12Cl2N2O4S/c17-13-7-11-12(8-14(13)18)16(22)20(15(11)21)6-5-9-1-3-10(4-2-9)25(19,23)24/h1-4,7-8H,5-6H2,(H2,19,23,24)
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9.36E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50234459
PNG
(CHEMBL4083255)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3nccnc3C2=O)cc1
Show InChI InChI=1S/C14H12N4O4S/c15-23(21,22)10-3-1-9(2-4-10)5-8-18-13(19)11-12(14(18)20)17-7-6-16-11/h1-4,6-7H,5,8H2,(H2,15,21,22)
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9.38E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50234461
PNG
(CHEMBL4063164)
Show SMILES CC(C)(C)c1ccc2C(=O)N(CCc3ccc(cc3)S(N)(=O)=O)C(=O)c2c1
Show InChI InChI=1S/C20H22N2O4S/c1-20(2,3)14-6-9-16-17(12-14)19(24)22(18(16)23)11-10-13-4-7-15(8-5-13)27(21,25)26/h4-9,12H,10-11H2,1-3H3,(H2,21,25,26)
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9.39E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50234450
PNG
(CHEMBL1905680)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C12H14N2O4S/c13-19(17,18)10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-4H,5-8H2,(H2,13,17,18)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
9.58E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 4 incubated for 10 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 25: 1666-1671 (2017)


Article DOI: 10.1016/j.bmc.2017.01.032
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%