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PubMed code 26678172

Compile data set for download or QSAR
Found 70 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))		BDBM50500023
PNG
(CHEMBL3741601)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C24H19N3O7S/c25-35(33,34)16-8-5-14(6-9-16)11-12-27-22(29)17-10-7-15(13-19(17)23(27)30)21(28)26-20-4-2-1-3-18(20)24(31)32/h1-10,13H,11-12H2,(H,26,28)(H,31,32)(H2,25,33,34)
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 0.310n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-7 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50500019
PNG
(CHEMBL3742377)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C23H17N3O7S/c24-34(32,33)15-8-5-13(6-9-15)12-26-21(28)16-10-7-14(11-18(16)22(26)29)20(27)25-19-4-2-1-3-17(19)23(30)31/h1-11H,12H2,(H,25,27)(H,30,31)(H2,24,32,33)
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 0.350n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-7 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50500026
PNG
(CHEMBL3741546)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C22H15N3O7S/c23-33(31,32)14-8-6-13(7-9-14)25-20(27)15-10-5-12(11-17(15)21(25)28)19(26)24-18-4-2-1-3-16(18)22(29)30/h1-11H,(H,24,26)(H,29,30)(H2,23,31,32)
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 0.460n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-7 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
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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 2.5n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-7 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50500024
PNG
(CHEMBL3740966)
Show SMILES COc1cc(NC(=O)c2ccc3C(=O)OC(=O)c3c2)c(cc1OC)C(O)=O
Show InChI InChI=1S/C18H13NO8/c1-25-13-6-11(16(21)22)12(7-14(13)26-2)19-15(20)8-3-4-9-10(5-8)18(24)27-17(9)23/h3-7H,1-2H3,(H,19,20)(H,21,22)
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 2.90n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-7 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50500027
PNG
(CHEMBL3740074)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C23H16N2O5/c26-20(24-19-9-5-4-8-17(19)23(29)30)15-10-11-16-18(12-15)22(28)25(21(16)27)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,26)(H,29,30)
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 3.20n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-7 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50500028
PNG
(CHEMBL3740937)
Show SMILES OC(=O)c1cc(I)ccc1NC(=O)c1ccc2C(=O)OC(=O)c2c1
Show InChI InChI=1S/C16H8INO6/c17-8-2-4-12(11(6-8)14(20)21)18-13(19)7-1-3-9-10(5-7)16(23)24-15(9)22/h1-6H,(H,18,19)(H,20,21)
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 3.30n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-7 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50500030
PNG
(CHEMBL3740404)
Show SMILES Cc1ccc(NC(=O)c2ccc3C(=O)OC(=O)c3c2)c(c1)C(O)=O
Show InChI InChI=1S/C17H11NO6/c1-8-2-5-13(12(6-8)15(20)21)18-14(19)9-3-4-10-11(7-9)17(23)24-16(10)22/h2-7H,1H3,(H,18,19)(H,20,21)
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 3.5n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-7 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50500021
PNG
(CHEMBL3739554)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)OC(=O)c2c1
Show InChI InChI=1S/C16H9NO6/c18-13(17-12-4-2-1-3-10(12)14(19)20)8-5-6-9-11(7-8)16(22)23-15(9)21/h1-7H,(H,17,18)(H,19,20)
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 3.90n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-7 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50500023
PNG
(CHEMBL3741601)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C24H19N3O7S/c25-35(33,34)16-8-5-14(6-9-16)11-12-27-22(29)17-10-7-15(13-19(17)23(27)30)21(28)26-20-4-2-1-3-18(20)24(31)32/h1-10,13H,11-12H2,(H,26,28)(H,31,32)(H2,25,33,34)
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 4.10n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50500020
PNG
(CHEMBL3740022)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C22H14N2O5/c25-19(23-18-9-5-4-8-16(18)22(28)29)13-10-11-15-17(12-13)21(27)24(20(15)26)14-6-2-1-3-7-14/h1-12H,(H,23,25)(H,28,29)
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 4.30n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-7 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50500031
PNG
(CHEMBL3742007)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)N(CCc3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C24H18N2O5/c27-21(25-20-9-5-4-8-18(20)24(30)31)16-10-11-17-19(14-16)23(29)26(22(17)28)13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,25,27)(H,30,31)
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 4.40n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-7 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50500025
PNG
(CHEMBL3740241)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1ccc2C(=O)OC(=O)c2c1
Show InChI InChI=1S/C16H8ClNO6/c17-8-2-4-12(11(6-8)14(20)21)18-13(19)7-1-3-9-10(5-7)16(23)24-15(9)22/h1-6H,(H,18,19)(H,20,21)
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 5.10n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-7 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


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



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50500026
PNG
(CHEMBL3741546)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C22H15N3O7S/c23-33(31,32)14-8-6-13(7-9-14)25-20(27)15-10-5-12(11-17(15)21(25)28)19(26)24-18-4-2-1-3-16(18)22(29)30/h1-11H,(H,24,26)(H,29,30)(H2,23,31,32)
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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 carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50500029
PNG
(CHEMBL3741953)
Show SMILES CCOC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C25H18N2O7/c1-2-34-25(33)14-7-10-16(11-8-14)27-22(29)17-12-9-15(13-19(17)23(27)30)21(28)26-20-6-4-3-5-18(20)24(31)32/h3-13H,2H2,1H3,(H,26,28)(H,31,32)
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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 carbonic anhydrase-7 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50500019
PNG
(CHEMBL3742377)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C23H17N3O7S/c24-34(32,33)15-8-5-13(6-9-15)12-26-21(28)16-10-7-14(11-18(16)22(26)29)20(27)25-19-4-2-1-3-17(19)23(30)31/h1-11H,12H2,(H,25,27)(H,30,31)(H2,24,32,33)
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 11n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


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



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50500023
PNG
(CHEMBL3741601)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C24H19N3O7S/c25-35(33,34)16-8-5-14(6-9-16)11-12-27-22(29)17-10-7-15(13-19(17)23(27)30)21(28)26-20-4-2-1-3-18(20)24(31)32/h1-10,13H,11-12H2,(H,26,28)(H,31,32)(H2,25,33,34)
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 14n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50500022
PNG
(CHEMBL3740170)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C23H14N2O7/c26-19(24-18-4-2-1-3-16(18)23(31)32)13-7-10-15-17(11-13)21(28)25(20(15)27)14-8-5-12(6-9-14)22(29)30/h1-11H,(H,24,26)(H,29,30)(H,31,32)
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 15n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-7 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50500029
PNG
(CHEMBL3741953)
Show SMILES CCOC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C25H18N2O7/c1-2-34-25(33)14-7-10-16(11-8-14)27-22(29)17-12-9-15(13-19(17)23(27)30)21(28)26-20-6-4-3-5-18(20)24(31)32/h3-13H,2H2,1H3,(H,26,28)(H,31,32)
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 19n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50500027
PNG
(CHEMBL3740074)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C23H16N2O5/c26-20(24-19-9-5-4-8-17(19)23(29)30)15-10-11-16-18(12-15)22(28)25(21(16)27)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,26)(H,29,30)
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 27n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50500019
PNG
(CHEMBL3742377)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C23H17N3O7S/c24-34(32,33)15-8-5-13(6-9-15)12-26-21(28)16-10-7-14(11-18(16)22(26)29)20(27)25-19-4-2-1-3-17(19)23(30)31/h1-11H,12H2,(H,25,27)(H,30,31)(H2,24,32,33)
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 29n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50500026
PNG
(CHEMBL3741546)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C22H15N3O7S/c23-33(31,32)14-8-6-13(7-9-14)25-20(27)15-10-5-12(11-17(15)21(25)28)19(26)24-18-4-2-1-3-16(18)22(29)30/h1-11H,(H,24,26)(H,29,30)(H2,23,31,32)
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 34n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50500019
PNG
(CHEMBL3742377)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C23H17N3O7S/c24-34(32,33)15-8-5-13(6-9-15)12-26-21(28)16-10-7-14(11-18(16)22(26)29)20(27)25-19-4-2-1-3-17(19)23(30)31/h1-11H,12H2,(H,25,27)(H,30,31)(H2,24,32,33)
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 41n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50500030
PNG
(CHEMBL3740404)
Show SMILES Cc1ccc(NC(=O)c2ccc3C(=O)OC(=O)c3c2)c(c1)C(O)=O
Show InChI InChI=1S/C17H11NO6/c1-8-2-5-13(12(6-8)15(20)21)18-14(19)9-3-4-10-11(7-9)17(23)24-16(10)22/h2-7H,1H3,(H,18,19)(H,20,21)
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 41n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50500025
PNG
(CHEMBL3740241)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1ccc2C(=O)OC(=O)c2c1
Show InChI InChI=1S/C16H8ClNO6/c17-8-2-4-12(11(6-8)14(20)21)18-13(19)7-1-3-9-10(5-7)16(23)24-15(9)22/h1-6H,(H,18,19)(H,20,21)
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 44n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50500026
PNG
(CHEMBL3741546)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C22H15N3O7S/c23-33(31,32)14-8-6-13(7-9-14)25-20(27)15-10-5-12(11-17(15)21(25)28)19(26)24-18-4-2-1-3-16(18)22(29)30/h1-11H,(H,24,26)(H,29,30)(H2,23,31,32)
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 44n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50500023
PNG
(CHEMBL3741601)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C24H19N3O7S/c25-35(33,34)16-8-5-14(6-9-16)11-12-27-22(29)17-10-7-15(13-19(17)23(27)30)21(28)26-20-4-2-1-3-18(20)24(31)32/h1-10,13H,11-12H2,(H,26,28)(H,31,32)(H2,25,33,34)
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 47n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50500024
PNG
(CHEMBL3740966)
Show SMILES COc1cc(NC(=O)c2ccc3C(=O)OC(=O)c3c2)c(cc1OC)C(O)=O
Show InChI InChI=1S/C18H13NO8/c1-25-13-6-11(16(21)22)12(7-14(13)26-2)19-15(20)8-3-4-9-10(5-8)18(24)27-17(9)23/h3-7H,1-2H3,(H,19,20)(H,21,22)
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 47n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50500031
PNG
(CHEMBL3742007)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)N(CCc3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C24H18N2O5/c27-21(25-20-9-5-4-8-18(20)24(30)31)16-10-11-17-19(14-16)23(29)26(22(17)28)13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,25,27)(H,30,31)
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 49n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50500020
PNG
(CHEMBL3740022)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C22H14N2O5/c25-19(23-18-9-5-4-8-16(18)22(28)29)13-10-11-15-17(12-13)21(27)24(20(15)26)14-6-2-1-3-7-14/h1-12H,(H,23,25)(H,28,29)
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 52n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50500022
PNG
(CHEMBL3740170)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C23H14N2O7/c26-19(24-18-4-2-1-3-16(18)23(31)32)13-7-10-15-17(11-13)21(28)25(20(15)27)14-8-5-12(6-9-14)22(29)30/h1-11H,(H,24,26)(H,29,30)(H,31,32)
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 56n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50500028
PNG
(CHEMBL3740937)
Show SMILES OC(=O)c1cc(I)ccc1NC(=O)c1ccc2C(=O)OC(=O)c2c1
Show InChI InChI=1S/C16H8INO6/c17-8-2-4-12(11(6-8)14(20)21)18-13(19)7-1-3-9-10(5-7)16(23)24-15(9)22/h1-6H,(H,18,19)(H,20,21)
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 57n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50500019
PNG
(CHEMBL3742377)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C23H17N3O7S/c24-34(32,33)15-8-5-13(6-9-15)12-26-21(28)16-10-7-14(11-18(16)22(26)29)20(27)25-19-4-2-1-3-17(19)23(30)31/h1-11H,12H2,(H,25,27)(H,30,31)(H2,24,32,33)
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 73n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-4 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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 74n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-4 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50500026
PNG
(CHEMBL3741546)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C22H15N3O7S/c23-33(31,32)14-8-6-13(7-9-14)25-20(27)15-10-5-12(11-17(15)21(25)28)19(26)24-18-4-2-1-3-16(18)22(29)30/h1-11H,(H,24,26)(H,29,30)(H2,23,31,32)
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 184n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-4 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50500021
PNG
(CHEMBL3739554)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)OC(=O)c2c1
Show InChI InChI=1S/C16H9NO6/c18-13(17-12-4-2-1-3-10(12)14(19)20)8-5-6-9-11(7-8)16(22)23-15(9)21/h1-7H,(H,17,18)(H,19,20)
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 228n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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 250n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50500029
PNG
(CHEMBL3741953)
Show SMILES CCOC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C25H18N2O7/c1-2-34-25(33)14-7-10-16(11-8-14)27-22(29)17-12-9-15(13-19(17)23(27)30)21(28)26-20-6-4-3-5-18(20)24(31)32/h3-13H,2H2,1H3,(H,26,28)(H,31,32)
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 281n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-4 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50500031
PNG
(CHEMBL3742007)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)N(CCc3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C24H18N2O5/c27-21(25-20-9-5-4-8-18(20)24(30)31)16-10-11-17-19(14-16)23(29)26(22(17)28)13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,25,27)(H,30,31)
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 366n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-4 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50500021
PNG
(CHEMBL3739554)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)OC(=O)c2c1
Show InChI InChI=1S/C16H9NO6/c18-13(17-12-4-2-1-3-10(12)14(19)20)8-5-6-9-11(7-8)16(22)23-15(9)21/h1-7H,(H,17,18)(H,19,20)
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 494n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-4 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50500023
PNG
(CHEMBL3741601)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C24H19N3O7S/c25-35(33,34)16-8-5-14(6-9-16)11-12-27-22(29)17-10-7-15(13-19(17)23(27)30)21(28)26-20-4-2-1-3-18(20)24(31)32/h1-10,13H,11-12H2,(H,26,28)(H,31,32)(H2,25,33,34)
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 496n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-4 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50500030
PNG
(CHEMBL3740404)
Show SMILES Cc1ccc(NC(=O)c2ccc3C(=O)OC(=O)c3c2)c(c1)C(O)=O
Show InChI InChI=1S/C17H11NO6/c1-8-2-5-13(12(6-8)15(20)21)18-14(19)9-3-4-10-11(7-9)17(23)24-16(10)22/h2-7H,1H3,(H,18,19)(H,20,21)
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 527n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-4 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50500022
PNG
(CHEMBL3740170)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C23H14N2O7/c26-19(24-18-4-2-1-3-16(18)23(31)32)13-7-10-15-17(11-13)21(28)25(20(15)27)14-8-5-12(6-9-14)22(29)30/h1-11H,(H,24,26)(H,29,30)(H,31,32)
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 892n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-4 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50500027
PNG
(CHEMBL3740074)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C23H16N2O5/c26-20(24-19-9-5-4-8-17(19)23(29)30)15-10-11-16-18(12-15)22(28)25(21(16)27)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,26)(H,29,30)
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 2.44E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50500025
PNG
(CHEMBL3740241)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1ccc2C(=O)OC(=O)c2c1
Show InChI InChI=1S/C16H8ClNO6/c17-8-2-4-12(11(6-8)14(20)21)18-13(19)7-1-3-9-10(5-7)16(23)24-15(9)22/h1-6H,(H,18,19)(H,20,21)
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 3.49E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50500031
PNG
(CHEMBL3742007)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)N(CCc3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C24H18N2O5/c27-21(25-20-9-5-4-8-18(20)24(30)31)16-10-11-17-19(14-16)23(29)26(22(17)28)13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,25,27)(H,30,31)
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 3.54E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50500021
PNG
(CHEMBL3739554)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)OC(=O)c2c1
Show InChI InChI=1S/C16H9NO6/c18-13(17-12-4-2-1-3-10(12)14(19)20)8-5-6-9-11(7-8)16(22)23-15(9)21/h1-7H,(H,17,18)(H,19,20)
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 4.14E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50500024
PNG
(CHEMBL3740966)
Show SMILES COc1cc(NC(=O)c2ccc3C(=O)OC(=O)c3c2)c(cc1OC)C(O)=O
Show InChI InChI=1S/C18H13NO8/c1-25-13-6-11(16(21)22)12(7-14(13)26-2)19-15(20)8-3-4-9-10(5-8)18(24)27-17(9)23/h3-7H,1-2H3,(H,19,20)(H,21,22)
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 4.37E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50500030
PNG
(CHEMBL3740404)
Show SMILES Cc1ccc(NC(=O)c2ccc3C(=O)OC(=O)c3c2)c(c1)C(O)=O
Show InChI InChI=1S/C17H11NO6/c1-8-2-5-13(12(6-8)15(20)21)18-14(19)9-3-4-10-11(7-9)17(23)24-16(10)22/h2-7H,1H3,(H,18,19)(H,20,21)
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 4.75E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50500027
PNG
(CHEMBL3740074)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C23H16N2O5/c26-20(24-19-9-5-4-8-17(19)23(29)30)15-10-11-16-18(12-15)22(28)25(21(16)27)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,26)(H,29,30)
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 7.11E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-4 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50500027
PNG
(CHEMBL3740074)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C23H16N2O5/c26-20(24-19-9-5-4-8-17(19)23(29)30)15-10-11-16-18(12-15)22(28)25(21(16)27)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,26)(H,29,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50500024
PNG
(CHEMBL3740966)
Show SMILES COc1cc(NC(=O)c2ccc3C(=O)OC(=O)c3c2)c(cc1OC)C(O)=O
Show InChI InChI=1S/C18H13NO8/c1-25-13-6-11(16(21)22)12(7-14(13)26-2)19-15(20)8-3-4-9-10(5-8)18(24)27-17(9)23/h3-7H,1-2H3,(H,19,20)(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50500028
PNG
(CHEMBL3740937)
Show SMILES OC(=O)c1cc(I)ccc1NC(=O)c1ccc2C(=O)OC(=O)c2c1
Show InChI InChI=1S/C16H8INO6/c17-8-2-4-12(11(6-8)14(20)21)18-13(19)7-1-3-9-10(5-7)16(23)24-15(9)22/h1-6H,(H,18,19)(H,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50500028
PNG
(CHEMBL3740937)
Show SMILES OC(=O)c1cc(I)ccc1NC(=O)c1ccc2C(=O)OC(=O)c2c1
Show InChI InChI=1S/C16H8INO6/c17-8-2-4-12(11(6-8)14(20)21)18-13(19)7-1-3-9-10(5-7)16(23)24-15(9)22/h1-6H,(H,18,19)(H,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50500022
PNG
(CHEMBL3740170)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C23H14N2O7/c26-19(24-18-4-2-1-3-16(18)23(31)32)13-7-10-15-17(11-13)21(28)25(20(15)27)14-8-5-12(6-9-14)22(29)30/h1-11H,(H,24,26)(H,29,30)(H,31,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50500029
PNG
(CHEMBL3741953)
Show SMILES CCOC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C25H18N2O7/c1-2-34-25(33)14-7-10-16(11-8-14)27-22(29)17-12-9-15(13-19(17)23(27)30)21(28)26-20-6-4-3-5-18(20)24(31)32/h3-13H,2H2,1H3,(H,26,28)(H,31,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50500024
PNG
(CHEMBL3740966)
Show SMILES COc1cc(NC(=O)c2ccc3C(=O)OC(=O)c3c2)c(cc1OC)C(O)=O
Show InChI InChI=1S/C18H13NO8/c1-25-13-6-11(16(21)22)12(7-14(13)26-2)19-15(20)8-3-4-9-10(5-8)18(24)27-17(9)23/h3-7H,1-2H3,(H,19,20)(H,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-4 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50500025
PNG
(CHEMBL3740241)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1ccc2C(=O)OC(=O)c2c1
Show InChI InChI=1S/C16H8ClNO6/c17-8-2-4-12(11(6-8)14(20)21)18-13(19)7-1-3-9-10(5-7)16(23)24-15(9)22/h1-6H,(H,18,19)(H,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-4 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50500020
PNG
(CHEMBL3740022)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C22H14N2O5/c25-19(23-18-9-5-4-8-16(18)22(28)29)13-10-11-15-17(12-13)21(27)24(20(15)26)14-6-2-1-3-7-14/h1-12H,(H,23,25)(H,28,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50500020
PNG
(CHEMBL3740022)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C22H14N2O5/c25-19(23-18-9-5-4-8-16(18)22(28)29)13-10-11-15-17(12-13)21(27)24(20(15)26)14-6-2-1-3-7-14/h1-12H,(H,23,25)(H,28,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50500022
PNG
(CHEMBL3740170)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C23H14N2O7/c26-19(24-18-4-2-1-3-16(18)23(31)32)13-7-10-15-17(11-13)21(28)25(20(15)27)14-8-5-12(6-9-14)22(29)30/h1-11H,(H,24,26)(H,29,30)(H,31,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50500031
PNG
(CHEMBL3742007)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)N(CCc3ccccc3)C(=O)c2c1
Show InChI InChI=1S/C24H18N2O5/c27-21(25-20-9-5-4-8-18(20)24(30)31)16-10-11-17-19(14-16)23(29)26(22(17)28)13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,25,27)(H,30,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50500020
PNG
(CHEMBL3740022)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1ccccc1
Show InChI InChI=1S/C22H14N2O5/c25-19(23-18-9-5-4-8-16(18)22(28)29)13-10-11-15-17(12-13)21(27)24(20(15)26)14-6-2-1-3-7-14/h1-12H,(H,23,25)(H,28,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-4 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50500021
PNG
(CHEMBL3739554)
Show SMILES OC(=O)c1ccccc1NC(=O)c1ccc2C(=O)OC(=O)c2c1
Show InChI InChI=1S/C16H9NO6/c18-13(17-12-4-2-1-3-10(12)14(19)20)8-5-6-9-11(7-8)16(22)23-15(9)21/h1-7H,(H,17,18)(H,19,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50500030
PNG
(CHEMBL3740404)
Show SMILES Cc1ccc(NC(=O)c2ccc3C(=O)OC(=O)c3c2)c(c1)C(O)=O
Show InChI InChI=1S/C17H11NO6/c1-8-2-5-13(12(6-8)15(20)21)18-14(19)9-3-4-10-11(7-9)17(23)24-16(10)22/h2-7H,1H3,(H,18,19)(H,20,21)
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King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50500029
PNG
(CHEMBL3741953)
Show SMILES CCOC(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C25H18N2O7/c1-2-34-25(33)14-7-10-16(11-8-14)27-22(29)17-12-9-15(13-19(17)23(27)30)21(28)26-20-6-4-3-5-18(20)24(31)32/h3-13H,2H2,1H3,(H,26,28)(H,31,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50500028
PNG
(CHEMBL3740937)
Show SMILES OC(=O)c1cc(I)ccc1NC(=O)c1ccc2C(=O)OC(=O)c2c1
Show InChI InChI=1S/C16H8INO6/c17-8-2-4-12(11(6-8)14(20)21)18-13(19)7-1-3-9-10(5-7)16(23)24-15(9)22/h1-6H,(H,18,19)(H,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-4 preincubated for 15 mins by stopped flow CO2 dehydration assay

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50500025
PNG
(CHEMBL3740241)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1ccc2C(=O)OC(=O)c2c1
Show InChI InChI=1S/C16H8ClNO6/c17-8-2-4-12(11(6-8)14(20)21)18-13(19)7-1-3-9-10(5-7)16(23)24-15(9)22/h1-6H,(H,18,19)(H,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


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

Bioorg Med Chem 24: 20-5 (2016)


Article DOI: 10.1016/j.bmc.2015.11.034
BindingDB Entry DOI: 10.7270/Q29K4F79
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%