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PubMed code 28109946

Compile data set for download or QSAR
Found 84 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 7


(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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PubMed
2.5n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230939
PNG
(CHEMBL4067135)
Show SMILES Cc1ccc2NC(=O)\C(=N/CCc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C17H17N3O3S/c1-11-2-7-15-14(10-11)16(17(21)20-15)19-9-8-12-3-5-13(6-4-12)24(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)(H,19,20,21)
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4n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230950
PNG
(CHEMBL4096684)
Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2cc(Br)ccc12
Show InChI InChI=1S/C17H16BrN3O3S/c1-21-15-7-4-12(18)10-14(15)16(17(21)22)20-9-8-11-2-5-13(6-3-11)25(19,23)24/h2-7,10H,8-9H2,1H3,(H2,19,23,24)/b20-16-
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5.90n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230942
PNG
(CHEMBL4085952)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)CS2)cc1
Show InChI InChI=1S/C11H13N3O3S2/c12-19(16,17)9-3-1-8(2-4-9)5-6-13-11-14-10(15)7-18-11/h1-4H,5-7H2,(H2,12,16,17)(H,13,14,15)
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6.60n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230940
PNG
(CHEMBL4069845)
Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C17H17N3O3S/c1-20-15-5-3-2-4-14(15)16(17(20)21)19-11-10-12-6-8-13(9-7-12)24(18,22)23/h2-9H,10-11H2,1H3,(H2,18,22,23)/b19-16-
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6.80n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230937
PNG
(CHEMBL4095939)
Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C17H16ClN3O3S/c1-21-15-7-4-12(18)10-14(15)16(17(21)22)20-9-8-11-2-5-13(6-3-11)25(19,23)24/h2-7,10H,8-9H2,1H3,(H2,19,23,24)/b20-16-
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7.70n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230944
PNG
(CHEMBL4088398)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C16H14BrN3O3S/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H,19,20,21)
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9.40n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
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



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230942
PNG
(CHEMBL4085952)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)CS2)cc1
Show InChI InChI=1S/C11H13N3O3S2/c12-19(16,17)9-3-1-8(2-4-9)5-6-13-11-14-10(15)7-18-11/h1-4H,5-7H2,(H2,12,16,17)(H,13,14,15)
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13n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230940
PNG
(CHEMBL4069845)
Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C17H17N3O3S/c1-20-15-5-3-2-4-14(15)16(17(20)21)19-11-10-12-6-8-13(9-7-12)24(18,22)23/h2-9H,10-11H2,1H3,(H2,18,22,23)/b19-16-
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16n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230932
PNG
(CHEMBL4103521)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H15N5O6S2/c20-32(29,30)12-4-1-10(2-5-12)7-8-21-19-23-18(26)16(31-19)15-13-9-11(24(27)28)3-6-14(13)22-17(15)25/h1-6,9H,7-8H2,(H,22,25)(H2,20,29,30)(H,21,23,26)/b16-15-
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17n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230948
PNG
(CHEMBL4077244)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C16H14ClN3O3S/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H,19,20,21)
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18n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230947
PNG
(CHEMBL4078069)
Show SMILES Cc1cc2\C(=N\CCc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c(C)c1
Show InChI InChI=1S/C18H19N3O3S/c1-11-9-12(2)16-15(10-11)17(18(22)21-16)20-8-7-13-3-5-14(6-4-13)25(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,19,23,24)(H,20,21,22)
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27n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230944
PNG
(CHEMBL4088398)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C16H14BrN3O3S/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H,19,20,21)
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28n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230940
PNG
(CHEMBL4069845)
Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C17H17N3O3S/c1-20-15-5-3-2-4-14(15)16(17(20)21)19-11-10-12-6-8-13(9-7-12)24(18,22)23/h2-9H,10-11H2,1H3,(H2,18,22,23)/b19-16-
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29n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230932
PNG
(CHEMBL4103521)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H15N5O6S2/c20-32(29,30)12-4-1-10(2-5-12)7-8-21-19-23-18(26)16(31-19)15-13-9-11(24(27)28)3-6-14(13)22-17(15)25/h1-6,9H,7-8H2,(H,22,25)(H2,20,29,30)(H,21,23,26)/b16-15-
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29n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230937
PNG
(CHEMBL4095939)
Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C17H16ClN3O3S/c1-21-15-7-4-12(18)10-14(15)16(17(21)22)20-9-8-11-2-5-13(6-3-11)25(19,23)24/h2-7,10H,8-9H2,1H3,(H2,19,23,24)/b20-16-
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31n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230950
PNG
(CHEMBL4096684)
Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2cc(Br)ccc12
Show InChI InChI=1S/C17H16BrN3O3S/c1-21-15-7-4-12(18)10-14(15)16(17(21)22)20-9-8-11-2-5-13(6-3-11)25(19,23)24/h2-7,10H,8-9H2,1H3,(H2,19,23,24)/b20-16-
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33n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230939
PNG
(CHEMBL4067135)
Show SMILES Cc1ccc2NC(=O)\C(=N/CCc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C17H17N3O3S/c1-11-2-7-15-14(10-11)16(17(21)20-15)19-9-8-12-3-5-13(6-4-12)24(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)(H,19,20,21)
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34n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230949
PNG
(CHEMBL4096121)
Show SMILES COc1ccc2NC(=O)\C(=N/CCc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C17H17N3O4S/c1-24-12-4-7-15-14(10-12)16(17(21)20-15)19-9-8-11-2-5-13(6-3-11)25(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)(H,19,20,21)
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34n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230933
PNG
(CHEMBL4085590)
Show SMILES Cc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N\CCc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C20H18N4O4S2/c1-11-2-7-15-14(10-11)16(18(25)23-15)17-19(26)24-20(29-17)22-9-8-12-3-5-13(6-4-12)30(21,27)28/h2-7,10H,8-9H2,1H3,(H,23,25)(H2,21,27,28)(H,22,24,26)/b17-16-
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36n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230944
PNG
(CHEMBL4088398)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C16H14BrN3O3S/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H,19,20,21)
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37n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10861
PNG
(4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...)
Show SMILES NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
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37n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230932
PNG
(CHEMBL4103521)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H15N5O6S2/c20-32(29,30)12-4-1-10(2-5-12)7-8-21-19-23-18(26)16(31-19)15-13-9-11(24(27)28)3-6-14(13)22-17(15)25/h1-6,9H,7-8H2,(H,22,25)(H2,20,29,30)(H,21,23,26)/b16-15-
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37n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230931
PNG
(CHEMBL4066127)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C16H15N3O3S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15-13-3-1-2-4-14(13)19-16(15)20/h1-8H,9-10H2,(H2,17,21,22)(H,18,19,20)
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41n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230945
PNG
(CHEMBL4060777)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C19H15BrN4O4S2/c20-11-3-6-14-13(9-11)15(17(25)23-14)16-18(26)24-19(29-16)22-8-7-10-1-4-12(5-2-10)30(21,27)28/h1-6,9H,7-8H2,(H,23,25)(H2,21,27,28)(H,22,24,26)/b16-15-
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41n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230940
PNG
(CHEMBL4069845)
Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C17H17N3O3S/c1-20-15-5-3-2-4-14(15)16(17(20)21)19-11-10-12-6-8-13(9-7-12)24(18,22)23/h2-9H,10-11H2,1H3,(H2,18,22,23)/b19-16-
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42n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230949
PNG
(CHEMBL4096121)
Show SMILES COc1ccc2NC(=O)\C(=N/CCc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C17H17N3O4S/c1-24-12-4-7-15-14(10-12)16(17(21)20-15)19-9-8-11-2-5-13(6-3-11)25(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)(H,19,20,21)
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43n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230948
PNG
(CHEMBL4077244)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C16H14ClN3O3S/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H,19,20,21)
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44n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230934
PNG
(CHEMBL4088987)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C19H15ClN4O4S2/c20-11-3-6-14-13(9-11)15(17(25)23-14)16-18(26)24-19(29-16)22-8-7-10-1-4-12(5-2-10)30(21,27)28/h1-6,9H,7-8H2,(H,23,25)(H2,21,27,28)(H,22,24,26)/b16-15-
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45n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230948
PNG
(CHEMBL4077244)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C16H14ClN3O3S/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H,19,20,21)
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46n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230947
PNG
(CHEMBL4078069)
Show SMILES Cc1cc2\C(=N\CCc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c(C)c1
Show InChI InChI=1S/C18H19N3O3S/c1-11-9-12(2)16-15(10-11)17(18(22)21-16)20-8-7-13-3-5-14(6-4-13)25(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,19,23,24)(H,20,21,22)
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51n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230938
PNG
(CHEMBL4069467)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H21N3O3S/c24-30(28,29)19-12-10-17(11-13-19)14-15-25-22-20-8-4-5-9-21(20)26(23(22)27)16-18-6-2-1-3-7-18/h1-13H,14-16H2,(H2,24,28,29)/b25-22-
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60n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230948
PNG
(CHEMBL4077244)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C16H14ClN3O3S/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H,19,20,21)
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64n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230933
PNG
(CHEMBL4085590)
Show SMILES Cc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N\CCc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C20H18N4O4S2/c1-11-2-7-15-14(10-11)16(18(25)23-15)17-19(26)24-20(29-17)22-9-8-12-3-5-13(6-4-12)30(21,27)28/h2-7,10H,8-9H2,1H3,(H,23,25)(H2,21,27,28)(H,22,24,26)/b17-16-
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64n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230950
PNG
(CHEMBL4096684)
Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2cc(Br)ccc12
Show InChI InChI=1S/C17H16BrN3O3S/c1-21-15-7-4-12(18)10-14(15)16(17(21)22)20-9-8-11-2-5-13(6-3-11)25(19,23)24/h2-7,10H,8-9H2,1H3,(H2,19,23,24)/b20-16-
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65n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230933
PNG
(CHEMBL4085590)
Show SMILES Cc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N\CCc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C20H18N4O4S2/c1-11-2-7-15-14(10-11)16(18(25)23-15)17-19(26)24-20(29-17)22-9-8-12-3-5-13(6-4-12)30(21,27)28/h2-7,10H,8-9H2,1H3,(H,23,25)(H2,21,27,28)(H,22,24,26)/b17-16-
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67n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
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



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230942
PNG
(CHEMBL4085952)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)CS2)cc1
Show InChI InChI=1S/C11H13N3O3S2/c12-19(16,17)9-3-1-8(2-4-9)5-6-13-11-14-10(15)7-18-11/h1-4H,5-7H2,(H2,12,16,17)(H,13,14,15)
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79n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230945
PNG
(CHEMBL4060777)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C19H15BrN4O4S2/c20-11-3-6-14-13(9-11)15(17(25)23-14)16-18(26)24-19(29-16)22-8-7-10-1-4-12(5-2-10)30(21,27)28/h1-6,9H,7-8H2,(H,23,25)(H2,21,27,28)(H,22,24,26)/b16-15-
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79n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230944
PNG
(CHEMBL4088398)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C16H14BrN3O3S/c17-11-3-6-14-13(9-11)15(16(21)20-14)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H,19,20,21)
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82n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230949
PNG
(CHEMBL4096121)
Show SMILES COc1ccc2NC(=O)\C(=N/CCc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C17H17N3O4S/c1-24-12-4-7-15-14(10-12)16(17(21)20-15)19-9-8-11-2-5-13(6-3-11)25(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)(H,19,20,21)
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89n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230937
PNG
(CHEMBL4095939)
Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C17H16ClN3O3S/c1-21-15-7-4-12(18)10-14(15)16(17(21)22)20-9-8-11-2-5-13(6-3-11)25(19,23)24/h2-7,10H,8-9H2,1H3,(H2,19,23,24)/b20-16-
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91n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230947
PNG
(CHEMBL4078069)
Show SMILES Cc1cc2\C(=N\CCc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c(C)c1
Show InChI InChI=1S/C18H19N3O3S/c1-11-9-12(2)16-15(10-11)17(18(22)21-16)20-8-7-13-3-5-14(6-4-13)25(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,19,23,24)(H,20,21,22)
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91n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230931
PNG
(CHEMBL4066127)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C16H15N3O3S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15-13-3-1-2-4-14(13)19-16(15)20/h1-8H,9-10H2,(H2,17,21,22)(H,18,19,20)
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93n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230942
PNG
(CHEMBL4085952)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)CS2)cc1
Show InChI InChI=1S/C11H13N3O3S2/c12-19(16,17)9-3-1-8(2-4-9)5-6-13-11-14-10(15)7-18-11/h1-4H,5-7H2,(H2,12,16,17)(H,13,14,15)
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94n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10861
PNG
(4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...)
Show SMILES NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
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95n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230939
PNG
(CHEMBL4067135)
Show SMILES Cc1ccc2NC(=O)\C(=N/CCc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C17H17N3O3S/c1-11-2-7-15-14(10-11)16(17(21)20-15)19-9-8-12-3-5-13(6-4-12)24(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)(H,19,20,21)
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121n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230945
PNG
(CHEMBL4060777)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C19H15BrN4O4S2/c20-11-3-6-14-13(9-11)15(17(25)23-14)16-18(26)24-19(29-16)22-8-7-10-1-4-12(5-2-10)30(21,27)28/h1-6,9H,7-8H2,(H,23,25)(H2,21,27,28)(H,22,24,26)/b16-15-
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157n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230950
PNG
(CHEMBL4096684)
Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2cc(Br)ccc12
Show InChI InChI=1S/C17H16BrN3O3S/c1-21-15-7-4-12(18)10-14(15)16(17(21)22)20-9-8-11-2-5-13(6-3-11)25(19,23)24/h2-7,10H,8-9H2,1H3,(H2,19,23,24)/b20-16-
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178n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230949
PNG
(CHEMBL4096121)
Show SMILES COc1ccc2NC(=O)\C(=N/CCc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C17H17N3O4S/c1-24-12-4-7-15-14(10-12)16(17(21)20-15)19-9-8-11-2-5-13(6-3-11)25(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)(H,19,20,21)
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206n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230935
PNG
(CHEMBL4099138)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C19H15FN4O4S2/c20-11-3-6-14-13(9-11)15(17(25)23-14)16-18(26)24-19(29-16)22-8-7-10-1-4-12(5-2-10)30(21,27)28/h1-6,9H,7-8H2,(H,23,25)(H2,21,27,28)(H,22,24,26)/b16-15-
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249n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
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



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230947
PNG
(CHEMBL4078069)
Show SMILES Cc1cc2\C(=N\CCc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c(C)c1
Show InChI InChI=1S/C18H19N3O3S/c1-11-9-12(2)16-15(10-11)17(18(22)21-16)20-8-7-13-3-5-14(6-4-13)25(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H2,19,23,24)(H,20,21,22)
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256n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230946
PNG
(CHEMBL4081098)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C19H16N4O4S2/c20-29(26,27)12-7-5-11(6-8-12)9-10-21-19-23-18(25)16(28-19)15-13-3-1-2-4-14(13)22-17(15)24/h1-8H,9-10H2,(H,22,24)(H2,20,26,27)(H,21,23,25)/b16-15-
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262n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230932
PNG
(CHEMBL4103521)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H15N5O6S2/c20-32(29,30)12-4-1-10(2-5-12)7-8-21-19-23-18(26)16(31-19)15-13-9-11(24(27)28)3-6-14(13)22-17(15)25/h1-6,9H,7-8H2,(H,22,25)(H2,20,29,30)(H,21,23,26)/b16-15-
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265n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230946
PNG
(CHEMBL4081098)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C19H16N4O4S2/c20-29(26,27)12-7-5-11(6-8-12)9-10-21-19-23-18(25)16(28-19)15-13-3-1-2-4-14(13)22-17(15)24/h1-8H,9-10H2,(H,22,24)(H2,20,26,27)(H,21,23,25)/b16-15-
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268n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230935
PNG
(CHEMBL4099138)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C19H15FN4O4S2/c20-11-3-6-14-13(9-11)15(17(25)23-14)16-18(26)24-19(29-16)22-8-7-10-1-4-12(5-2-10)30(21,27)28/h1-6,9H,7-8H2,(H,23,25)(H2,21,27,28)(H,22,24,26)/b16-15-
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270n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230931
PNG
(CHEMBL4066127)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C16H15N3O3S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15-13-3-1-2-4-14(13)19-16(15)20/h1-8H,9-10H2,(H2,17,21,22)(H,18,19,20)
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272n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230934
PNG
(CHEMBL4088987)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C19H15ClN4O4S2/c20-11-3-6-14-13(9-11)15(17(25)23-14)16-18(26)24-19(29-16)22-8-7-10-1-4-12(5-2-10)30(21,27)28/h1-6,9H,7-8H2,(H,23,25)(H2,21,27,28)(H,22,24,26)/b16-15-
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302n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230939
PNG
(CHEMBL4067135)
Show SMILES Cc1ccc2NC(=O)\C(=N/CCc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C17H17N3O3S/c1-11-2-7-15-14(10-11)16(17(21)20-15)19-9-8-12-3-5-13(6-4-12)24(18,22)23/h2-7,10H,8-9H2,1H3,(H2,18,22,23)(H,19,20,21)
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316n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230946
PNG
(CHEMBL4081098)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C19H16N4O4S2/c20-29(26,27)12-7-5-11(6-8-12)9-10-21-19-23-18(25)16(28-19)15-13-3-1-2-4-14(13)22-17(15)24/h1-8H,9-10H2,(H,22,24)(H2,20,26,27)(H,21,23,25)/b16-15-
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329n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230935
PNG
(CHEMBL4099138)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C19H15FN4O4S2/c20-11-3-6-14-13(9-11)15(17(25)23-14)16-18(26)24-19(29-16)22-8-7-10-1-4-12(5-2-10)30(21,27)28/h1-6,9H,7-8H2,(H,23,25)(H2,21,27,28)(H,22,24,26)/b16-15-
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348n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM10861
PNG
(4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...)
Show SMILES NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
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349n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM10861
PNG
(4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...)
Show SMILES NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
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432n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230938
PNG
(CHEMBL4069467)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H21N3O3S/c24-30(28,29)19-12-10-17(11-13-19)14-15-25-22-20-8-4-5-9-21(20)26(23(22)27)16-18-6-2-1-3-7-18/h1-13H,14-16H2,(H2,24,28,29)/b25-22-
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537n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230934
PNG
(CHEMBL4088987)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C19H15ClN4O4S2/c20-11-3-6-14-13(9-11)15(17(25)23-14)16-18(26)24-19(29-16)22-8-7-10-1-4-12(5-2-10)30(21,27)28/h1-6,9H,7-8H2,(H,23,25)(H2,21,27,28)(H,22,24,26)/b16-15-
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605n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230931
PNG
(CHEMBL4066127)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C16H15N3O3S/c17-23(21,22)12-7-5-11(6-8-12)9-10-18-15-13-3-1-2-4-14(13)19-16(15)20/h1-8H,9-10H2,(H2,17,21,22)(H,18,19,20)
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665n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230937
PNG
(CHEMBL4095939)
Show SMILES CN1C(=O)\C(=N/CCc2ccc(cc2)S(N)(=O)=O)c2cc(Cl)ccc12
Show InChI InChI=1S/C17H16ClN3O3S/c1-21-15-7-4-12(18)10-14(15)16(17(21)22)20-9-8-11-2-5-13(6-3-11)25(19,23)24/h2-7,10H,8-9H2,1H3,(H2,19,23,24)/b20-16-
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668n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230943
PNG
(CHEMBL4080175)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc23)cc1
Show InChI InChI=1S/C23H20BrN3O3S/c24-18-8-11-21-20(14-18)22(23(28)27(21)15-17-4-2-1-3-5-17)26-13-12-16-6-9-19(10-7-16)31(25,29)30/h1-11,14H,12-13,15H2,(H2,25,29,30)/b26-22-
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694n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230941
PNG
(CHEMBL4104409)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)N(Cc3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C23H20ClN3O3S/c24-18-8-11-21-20(14-18)22(23(28)27(21)15-17-4-2-1-3-5-17)26-13-12-16-6-9-19(10-7-16)31(25,29)30/h1-11,14H,12-13,15H2,(H2,25,29,30)/b26-22-
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714n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230938
PNG
(CHEMBL4069467)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H21N3O3S/c24-30(28,29)19-12-10-17(11-13-19)14-15-25-22-20-8-4-5-9-21(20)26(23(22)27)16-18-6-2-1-3-7-18/h1-13H,14-16H2,(H2,24,28,29)/b25-22-
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746n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50230943
PNG
(CHEMBL4080175)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc23)cc1
Show InChI InChI=1S/C23H20BrN3O3S/c24-18-8-11-21-20(14-18)22(23(28)27(21)15-17-4-2-1-3-5-17)26-13-12-16-6-9-19(10-7-16)31(25,29)30/h1-11,14H,12-13,15H2,(H2,25,29,30)/b26-22-
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762n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230933
PNG
(CHEMBL4085590)
Show SMILES Cc1ccc2NC(=O)\C(=C3/S\C(NC3=O)=N\CCc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C20H18N4O4S2/c1-11-2-7-15-14(10-11)16(18(25)23-15)17-19(26)24-20(29-17)22-9-8-12-3-5-13(6-4-12)30(21,27)28/h2-7,10H,8-9H2,1H3,(H,23,25)(H2,21,27,28)(H,22,24,26)/b17-16-
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845n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230946
PNG
(CHEMBL4081098)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C19H16N4O4S2/c20-29(26,27)12-7-5-11(6-8-12)9-10-21-19-23-18(25)16(28-19)15-13-3-1-2-4-14(13)22-17(15)24/h1-8H,9-10H2,(H,22,24)(H2,20,26,27)(H,21,23,25)/b16-15-
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875n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230935
PNG
(CHEMBL4099138)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C19H15FN4O4S2/c20-11-3-6-14-13(9-11)15(17(25)23-14)16-18(26)24-19(29-16)22-8-7-10-1-4-12(5-2-10)30(21,27)28/h1-6,9H,7-8H2,(H,23,25)(H2,21,27,28)(H,22,24,26)/b16-15-
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899n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230943
PNG
(CHEMBL4080175)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc23)cc1
Show InChI InChI=1S/C23H20BrN3O3S/c24-18-8-11-21-20(14-18)22(23(28)27(21)15-17-4-2-1-3-5-17)26-13-12-16-6-9-19(10-7-16)31(25,29)30/h1-11,14H,12-13,15H2,(H2,25,29,30)/b26-22-
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1.43E+3n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230941
PNG
(CHEMBL4104409)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)N(Cc3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C23H20ClN3O3S/c24-18-8-11-21-20(14-18)22(23(28)27(21)15-17-4-2-1-3-5-17)26-13-12-16-6-9-19(10-7-16)31(25,29)30/h1-11,14H,12-13,15H2,(H2,25,29,30)/b26-22-
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1.80E+3n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50230938
PNG
(CHEMBL4069467)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)N(Cc3ccccc3)c3ccccc23)cc1
Show InChI InChI=1S/C23H21N3O3S/c24-30(28,29)19-12-10-17(11-13-19)14-15-25-22-20-8-4-5-9-21(20)26(23(22)27)16-18-6-2-1-3-7-18/h1-13H,14-16H2,(H2,24,28,29)/b25-22-
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2.07E+3n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230945
PNG
(CHEMBL4060777)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(Br)cc23)cc1
Show InChI InChI=1S/C19H15BrN4O4S2/c20-11-3-6-14-13(9-11)15(17(25)23-14)16-18(26)24-19(29-16)22-8-7-10-1-4-12(5-2-10)30(21,27)28/h1-6,9H,7-8H2,(H,23,25)(H2,21,27,28)(H,22,24,26)/b16-15-
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3.60E+3n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230934
PNG
(CHEMBL4088987)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/NC(=O)\C(S2)=C2\C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C19H15ClN4O4S2/c20-11-3-6-14-13(9-11)15(17(25)23-14)16-18(26)24-19(29-16)22-8-7-10-1-4-12(5-2-10)30(21,27)28/h1-6,9H,7-8H2,(H,23,25)(H2,21,27,28)(H,22,24,26)/b16-15-
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4.45E+3n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230943
PNG
(CHEMBL4080175)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc23)cc1
Show InChI InChI=1S/C23H20BrN3O3S/c24-18-8-11-21-20(14-18)22(23(28)27(21)15-17-4-2-1-3-5-17)26-13-12-16-6-9-19(10-7-16)31(25,29)30/h1-11,14H,12-13,15H2,(H2,25,29,30)/b26-22-
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PubMed
6.15E+3n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50230941
PNG
(CHEMBL4104409)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)N(Cc3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C23H20ClN3O3S/c24-18-8-11-21-20(14-18)22(23(28)27(21)15-17-4-2-1-3-5-17)26-13-12-16-6-9-19(10-7-16)31(25,29)30/h1-11,14H,12-13,15H2,(H2,25,29,30)/b26-22-
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8.55E+3n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50230941
PNG
(CHEMBL4104409)
Show SMILES NS(=O)(=O)c1ccc(CC\N=C2/C(=O)N(Cc3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C23H20ClN3O3S/c24-18-8-11-21-20(14-18)22(23(28)27(21)15-17-4-2-1-3-5-17)26-13-12-16-6-9-19(10-7-16)31(25,29)30/h1-11,14H,12-13,15H2,(H2,25,29,30)/b26-22-
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>1.00E+4n/an/an/an/an/an/an/an/a



Kafrelsheikh University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


Eur J Med Chem 127: 521-530 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.017
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%