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Compile Data Set for Download or QSAR

Found 84 hits Enz. Inhib. hit(s) with all data for entry = 50044751   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028553
PNG
(CHEMBL3342492)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)Nc2c(C#N)c(cn2-c2ccc(cc2)S(N)(=O)=O)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C24H19BrN6O4S3/c25-16-3-1-15(2-4-16)22-14-31(18-7-11-20(12-8-18)38(28,34)35)23(21(22)13-26)30-24(36)29-17-5-9-19(10-6-17)37(27,32)33/h1-12,14H,(H2,27,32,33)(H2,28,34,35)(H2,29,30,36)
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0.670n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028555
PNG
(CHEMBL3342494)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NS(=O)(=O)c1ccccc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H17BrN4O4S2/c24-17-8-6-16(7-9-17)22-15-28(18-10-12-19(13-11-18)33(26,29)30)23(21(22)14-25)27-34(31,32)20-4-2-1-3-5-20/h1-13,15,27H,(H2,26,29,30)
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0.680n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028554
PNG
(CHEMBL3342493)
Show SMILES Cc1ccc(cc1)-n1c(=S)[nH]c2n(cc(-c3ccc(Br)cc3)c2c1=N)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C25H20BrN5O2S2/c1-15-2-8-19(9-3-15)31-23(27)22-21(16-4-6-17(26)7-5-16)14-30(24(22)29-25(31)34)18-10-12-20(13-11-18)35(28,32)33/h2-14,27H,1H3,(H,29,34)(H2,28,32,33)
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0.690n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50022089
PNG
(CHEMBL3298343)
Show SMILES Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H13BrN4O2S/c18-12-3-1-11(2-4-12)16-10-22(17(20)15(16)9-19)13-5-7-14(8-6-13)25(21,23)24/h1-8,10H,20H2,(H2,21,23,24)
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0.740n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028552
PNG
(CHEMBL3342491)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=S)Nc1ccc(I)cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H17BrIN5O2S2/c25-16-3-1-15(2-4-16)22-14-31(19-9-11-20(12-10-19)35(28,32)33)23(21(22)13-27)30-24(34)29-18-7-5-17(26)6-8-18/h1-12,14H,(H2,28,32,33)(H2,29,30,34)
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0.810n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028551
PNG
(CHEMBL3342490)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=S)Nc1ccc(Br)cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H17Br2N5O2S2/c25-16-3-1-15(2-4-16)22-14-31(19-9-11-20(12-10-19)35(28,32)33)23(21(22)13-27)30-24(34)29-18-7-5-17(26)6-8-18/h1-12,14H,(H2,28,32,33)(H2,29,30,34)
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0.950n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028543
PNG
(CHEMBL3342489)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=S)Nc1ccc(cc1)[N+]([O-])=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H17BrN6O4S2/c25-16-3-1-15(2-4-16)22-14-30(18-9-11-20(12-10-18)37(27,34)35)23(21(22)13-26)29-24(36)28-17-5-7-19(8-6-17)31(32)33/h1-12,14H,(H2,27,34,35)(H2,28,29,36)
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0.960n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028563
PNG
(CHEMBL3342502)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=O)c1ccc(Br)cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H16Br2N4O3S/c25-17-5-1-15(2-6-17)22-14-30(19-9-11-20(12-10-19)34(28,32)33)23(21(22)13-27)29-24(31)16-3-7-18(26)8-4-16/h1-12,14H,(H,29,31)(H2,28,32,33)
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4.5n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028561
PNG
(CHEMBL3342500)
Show SMILES Cc1nc(S)c2c(cn(-c3ccc(cc3)S(N)(=O)=O)c2n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C19H15BrN4O2S2/c1-11-22-18-17(19(27)23-11)16(12-2-4-13(20)5-3-12)10-24(18)14-6-8-15(9-7-14)28(21,25)26/h2-10H,1H3,(H2,21,25,26)(H,22,23,27)
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4.5n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50022089
PNG
(CHEMBL3298343)
Show SMILES Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H13BrN4O2S/c18-12-3-1-11(2-4-12)16-10-22(17(20)15(16)9-19)13-5-7-14(8-6-13)25(21,23)24/h1-8,10H,20H2,(H2,21,23,24)
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4.60n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028562
PNG
(CHEMBL3342501)
Show SMILES CC(=O)CC(=O)Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H17BrN4O4S/c1-13(27)10-20(28)25-21-18(11-23)19(14-2-4-15(22)5-3-14)12-26(21)16-6-8-17(9-7-16)31(24,29)30/h2-9,12H,10H2,1H3,(H,25,28)(H2,24,29,30)
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5.20n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028563
PNG
(CHEMBL3342502)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=O)c1ccc(Br)cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H16Br2N4O3S/c25-17-5-1-15(2-6-17)22-14-30(19-9-11-20(12-10-19)34(28,32)33)23(21(22)13-27)29-24(31)16-3-7-18(26)8-4-16/h1-12,14H,(H,29,31)(H2,28,32,33)
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5.30n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028530
PNG
(CHEMBL3342488)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=S)Nc1ccc(Cl)cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H17BrClN5O2S2/c25-16-3-1-15(2-4-16)22-14-31(19-9-11-20(12-10-19)35(28,32)33)23(21(22)13-27)30-24(34)29-18-7-5-17(26)6-8-18/h1-12,14H,(H2,28,32,33)(H2,29,30,34)
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5.40n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028561
PNG
(CHEMBL3342500)
Show SMILES Cc1nc(S)c2c(cn(-c3ccc(cc3)S(N)(=O)=O)c2n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C19H15BrN4O2S2/c1-11-22-18-17(19(27)23-11)16(12-2-4-13(20)5-3-12)10-24(18)14-6-8-15(9-7-14)28(21,25)26/h2-10H,1H3,(H2,21,25,26)(H,22,23,27)
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5.40n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028562
PNG
(CHEMBL3342501)
Show SMILES CC(=O)CC(=O)Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H17BrN4O4S/c1-13(27)10-20(28)25-21-18(11-23)19(14-2-4-15(22)5-3-14)12-26(21)16-6-8-17(9-7-16)31(24,29)30/h2-9,12H,10H2,1H3,(H,25,28)(H2,24,29,30)
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5.5n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028568
PNG
(CHEMBL3342487)
Show SMILES COc1ccc(NC(=S)Nc2c(C#N)c(cn2-c2ccc(cc2)S(N)(=O)=O)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C25H20BrN5O3S2/c1-34-20-10-6-18(7-11-20)29-25(35)30-24-22(14-27)23(16-2-4-17(26)5-3-16)15-31(24)19-8-12-21(13-9-19)36(28,32)33/h2-13,15H,1H3,(H2,28,32,33)(H2,29,30,35)
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5.60n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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5.70n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028560
PNG
(CHEMBL3342499)
Show SMILES C\C(S)=N\c1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C19H15BrN4O2S2/c1-12(27)23-19-17(10-21)18(13-2-4-14(20)5-3-13)11-24(19)15-6-8-16(9-7-15)28(22,25)26/h2-9,11H,1H3,(H,23,27)(H2,22,25,26)
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5.80n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028560
PNG
(CHEMBL3342499)
Show SMILES C\C(S)=N\c1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C19H15BrN4O2S2/c1-12(27)23-19-17(10-21)18(13-2-4-14(20)5-3-13)11-24(19)15-6-8-16(9-7-15)28(22,25)26/h2-9,11H,1H3,(H,23,27)(H2,22,25,26)
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6n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50022089
PNG
(CHEMBL3298343)
Show SMILES Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H13BrN4O2S/c18-12-3-1-11(2-4-12)16-10-22(17(20)15(16)9-19)13-5-7-14(8-6-13)25(21,23)24/h1-8,10H,20H2,(H2,21,23,24)
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6.30n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028564
PNG
(CHEMBL3342503)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccc(Br)cc2)c2c1nc(-c1ccccc1)n(C(=O)c1ccccc1)c2=O
Show InChI InChI=1S/C31H21BrN4O4S/c32-23-13-11-20(12-14-23)26-19-35(24-15-17-25(18-16-24)41(33,39)40)29-27(26)31(38)36(30(37)22-9-5-2-6-10-22)28(34-29)21-7-3-1-4-8-21/h1-19H,(H2,33,39,40)
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6.5n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028559
PNG
(CHEMBL3342498)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccc(Br)cc2)c2c1[nH]c(=S)[nH]c2=S
Show InChI InChI=1S/C18H13BrN4O2S3/c19-11-3-1-10(2-4-11)14-9-23(16-15(14)17(26)22-18(27)21-16)12-5-7-13(8-6-12)28(20,24)25/h1-9H,(H2,20,24,25)(H2,21,22,26,27)
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7.10n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028566
PNG
(CHEMBL3342486)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=S)Nc1ccccc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H18BrN5O2S2/c25-17-8-6-16(7-9-17)22-15-30(19-10-12-20(13-11-19)34(27,31)32)23(21(22)14-26)29-24(33)28-18-4-2-1-3-5-18/h1-13,15H,(H2,27,31,32)(H2,28,29,33)
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8.30n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028564
PNG
(CHEMBL3342503)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccc(Br)cc2)c2c1nc(-c1ccccc1)n(C(=O)c1ccccc1)c2=O
Show InChI InChI=1S/C31H21BrN4O4S/c32-23-13-11-20(12-14-23)26-19-35(24-15-17-25(18-16-24)41(33,39)40)29-27(26)31(38)36(30(37)22-9-5-2-6-10-22)28(34-29)21-7-3-1-4-8-21/h1-19H,(H2,33,39,40)
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8.30n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028553
PNG
(CHEMBL3342492)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)Nc2c(C#N)c(cn2-c2ccc(cc2)S(N)(=O)=O)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C24H19BrN6O4S3/c25-16-3-1-15(2-4-16)22-14-31(18-7-11-20(12-8-18)38(28,34)35)23(21(22)13-26)30-24(36)29-17-5-9-19(10-6-17)37(27,32)33/h1-12,14H,(H2,27,32,33)(H2,28,34,35)(H2,29,30,36)
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8.5n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028562
PNG
(CHEMBL3342501)
Show SMILES CC(=O)CC(=O)Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H17BrN4O4S/c1-13(27)10-20(28)25-21-18(11-23)19(14-2-4-15(22)5-3-14)12-26(21)16-6-8-17(9-7-16)31(24,29)30/h2-9,12H,10H2,1H3,(H,25,28)(H2,24,29,30)
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8.60n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028554
PNG
(CHEMBL3342493)
Show SMILES Cc1ccc(cc1)-n1c(=S)[nH]c2n(cc(-c3ccc(Br)cc3)c2c1=N)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C25H20BrN5O2S2/c1-15-2-8-19(9-3-15)31-23(27)22-21(16-4-6-17(26)7-5-16)14-30(24(22)29-25(31)34)18-10-12-20(13-11-18)35(28,32)33/h2-14,27H,1H3,(H,29,34)(H2,28,32,33)
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8.80n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028568
PNG
(CHEMBL3342487)
Show SMILES COc1ccc(NC(=S)Nc2c(C#N)c(cn2-c2ccc(cc2)S(N)(=O)=O)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C25H20BrN5O3S2/c1-34-20-10-6-18(7-11-20)29-25(35)30-24-22(14-27)23(16-2-4-17(26)5-3-16)15-31(24)19-8-12-21(13-9-19)36(28,32)33/h2-13,15H,1H3,(H2,28,32,33)(H2,29,30,35)
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8.90n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028561
PNG
(CHEMBL3342500)
Show SMILES Cc1nc(S)c2c(cn(-c3ccc(cc3)S(N)(=O)=O)c2n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C19H15BrN4O2S2/c1-11-22-18-17(19(27)23-11)16(12-2-4-13(20)5-3-12)10-24(18)14-6-8-15(9-7-14)28(21,25)26/h2-10H,1H3,(H2,21,25,26)(H,22,23,27)
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9.10n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028564
PNG
(CHEMBL3342503)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccc(Br)cc2)c2c1nc(-c1ccccc1)n(C(=O)c1ccccc1)c2=O
Show InChI InChI=1S/C31H21BrN4O4S/c32-23-13-11-20(12-14-23)26-19-35(24-15-17-25(18-16-24)41(33,39)40)29-27(26)31(38)36(30(37)22-9-5-2-6-10-22)28(34-29)21-7-3-1-4-8-21/h1-19H,(H2,33,39,40)
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9.30n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028551
PNG
(CHEMBL3342490)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=S)Nc1ccc(Br)cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H17Br2N5O2S2/c25-16-3-1-15(2-4-16)22-14-31(19-9-11-20(12-10-19)35(28,32)33)23(21(22)13-27)30-24(34)29-18-7-5-17(26)6-8-18/h1-12,14H,(H2,28,32,33)(H2,29,30,34)
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9.40n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028563
PNG
(CHEMBL3342502)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=O)c1ccc(Br)cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H16Br2N4O3S/c25-17-5-1-15(2-6-17)22-14-30(19-9-11-20(12-10-19)34(28,32)33)23(21(22)13-27)29-24(31)16-3-7-18(26)8-4-16/h1-12,14H,(H,29,31)(H2,28,32,33)
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9.5n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


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



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028565
PNG
(CHEMBL3342504)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccc(Br)cc2)c2c1nc(-c1ccc(Cl)cc1)n(C(=O)c1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C31H19BrCl2N4O4S/c32-21-7-1-18(2-8-21)26-17-37(24-13-15-25(16-14-24)43(35,41)42)29-27(26)31(40)38(30(39)20-5-11-23(34)12-6-20)28(36-29)19-3-9-22(33)10-4-19/h1-17H,(H2,35,41,42)
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15n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028543
PNG
(CHEMBL3342489)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=S)Nc1ccc(cc1)[N+]([O-])=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H17BrN6O4S2/c25-16-3-1-15(2-4-16)22-14-30(18-9-11-20(12-10-18)37(27,34)35)23(21(22)13-26)29-24(36)28-17-5-7-19(8-6-17)31(32)33/h1-12,14H,(H2,27,34,35)(H2,28,29,36)
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17n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028566
PNG
(CHEMBL3342486)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=S)Nc1ccccc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H18BrN5O2S2/c25-17-8-6-16(7-9-17)22-15-30(19-10-12-20(13-11-19)34(27,31)32)23(21(22)14-26)29-24(33)28-18-4-2-1-3-5-18/h1-13,15H,(H2,27,31,32)(H2,28,29,33)
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19n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028557
PNG
(CHEMBL3342496)
Show SMILES Nc1nc(=O)[nH]c2n(cc(-c3ccc(Br)cc3)c12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H14BrN5O3S/c19-11-3-1-10(2-4-11)14-9-24(17-15(14)16(20)22-18(25)23-17)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H2,21,26,27)(H3,20,22,23,25)
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24n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


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



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028560
PNG
(CHEMBL3342499)
Show SMILES C\C(S)=N\c1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C19H15BrN4O2S2/c1-12(27)23-19-17(10-21)18(13-2-4-14(20)5-3-13)11-24(19)15-6-8-16(9-7-15)28(22,25)26/h2-9,11H,1H3,(H,23,27)(H2,22,25,26)
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29n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50028560
PNG
(CHEMBL3342499)
Show SMILES C\C(S)=N\c1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C19H15BrN4O2S2/c1-12(27)23-19-17(10-21)18(13-2-4-14(20)5-3-13)11-24(19)15-6-8-16(9-7-15)28(22,25)26/h2-9,11H,1H3,(H,23,27)(H2,22,25,26)
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41n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028530
PNG
(CHEMBL3342488)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=S)Nc1ccc(Cl)cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H17BrClN5O2S2/c25-16-3-1-15(2-4-16)22-14-31(19-9-11-20(12-10-19)35(28,32)33)23(21(22)13-27)30-24(34)29-18-7-5-17(26)6-8-18/h1-12,14H,(H2,28,32,33)(H2,29,30,34)
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42n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028558
PNG
(CHEMBL3342497)
Show SMILES Nc1nc(=S)[nH]c2n(cc(-c3ccc(Br)cc3)c12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H14BrN5O2S2/c19-11-3-1-10(2-4-11)14-9-24(17-15(14)16(20)22-18(27)23-17)12-5-7-13(8-6-12)28(21,25)26/h1-9H,(H2,21,25,26)(H3,20,22,23,27)
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43n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028559
PNG
(CHEMBL3342498)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccc(Br)cc2)c2c1[nH]c(=S)[nH]c2=S
Show InChI InChI=1S/C18H13BrN4O2S3/c19-11-3-1-10(2-4-11)14-9-23(16-15(14)17(26)22-18(27)21-16)12-5-7-13(8-6-12)28(20,24)25/h1-9H,(H2,20,24,25)(H2,21,22,26,27)
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43n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028557
PNG
(CHEMBL3342496)
Show SMILES Nc1nc(=O)[nH]c2n(cc(-c3ccc(Br)cc3)c12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H14BrN5O3S/c19-11-3-1-10(2-4-11)14-9-24(17-15(14)16(20)22-18(25)23-17)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H2,21,26,27)(H3,20,22,23,25)
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49n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028553
PNG
(CHEMBL3342492)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)Nc2c(C#N)c(cn2-c2ccc(cc2)S(N)(=O)=O)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C24H19BrN6O4S3/c25-16-3-1-15(2-4-16)22-14-31(18-7-11-20(12-8-18)38(28,34)35)23(21(22)13-26)30-24(36)29-17-5-9-19(10-6-17)37(27,32)33/h1-12,14H,(H2,27,32,33)(H2,28,34,35)(H2,29,30,36)
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51n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028559
PNG
(CHEMBL3342498)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccc(Br)cc2)c2c1[nH]c(=S)[nH]c2=S
Show InChI InChI=1S/C18H13BrN4O2S3/c19-11-3-1-10(2-4-11)14-9-23(16-15(14)17(26)22-18(27)21-16)12-5-7-13(8-6-12)28(20,24)25/h1-9H,(H2,20,24,25)(H2,21,22,26,27)
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60n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50028557
PNG
(CHEMBL3342496)
Show SMILES Nc1nc(=O)[nH]c2n(cc(-c3ccc(Br)cc3)c12)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H14BrN5O3S/c19-11-3-1-10(2-4-11)14-9-24(17-15(14)16(20)22-18(25)23-17)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H2,21,26,27)(H3,20,22,23,25)
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61n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028566
PNG
(CHEMBL3342486)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=S)Nc1ccccc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H18BrN5O2S2/c25-17-8-6-16(7-9-17)22-15-30(19-10-12-20(13-11-19)34(27,31)32)23(21(22)14-26)29-24(33)28-18-4-2-1-3-5-18/h1-13,15H,(H2,27,31,32)(H2,28,29,33)
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62n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028556
PNG
(CHEMBL3342495)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H19BrN4O4S2/c1-16-2-10-21(11-3-16)35(32,33)28-24-22(14-26)23(17-4-6-18(25)7-5-17)15-29(24)19-8-12-20(13-9-19)34(27,30)31/h2-13,15,28H,1H3,(H2,27,30,31)
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79n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50022089
PNG
(CHEMBL3298343)
Show SMILES Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H13BrN4O2S/c18-12-3-1-11(2-4-12)16-10-22(17(20)15(16)9-19)13-5-7-14(8-6-13)25(21,23)24/h1-8,10H,20H2,(H2,21,23,24)
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85n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
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