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Compile Data Set for Download or QSAR

Found 23 hits of ic50 for UniProtKB: P07451   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Carbonic anhydrase 3


(Homo sapiens (Human))		BDBM50296250
PNG
((S,Z)-3-(2-hydroxy-5-(1-hydroxy-3-methylbutyl)-4-m...)
Show SMILES COc1cc(O)c(\C=C/C(O)=O)cc1[C@@H](O)CC(C)C |r|
Show InChI InChI=1S/C15H20O5/c1-9(2)6-13(17)11-7-10(4-5-15(18)19)12(16)8-14(11)20-3/h4-5,7-9,13,16-17H,6H2,1-3H3,(H,18,19)/b5-4-/t13-/m0/s1
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n/an/a>10n/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay

Bioorg Med Chem Lett 19: 4102-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.002
BindingDB Entry DOI: 10.7270/Q23778S7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(Homo sapiens (Human))		BDBM50229834
PNG
(CHEMBL328270)
Show SMILES COC(=O)CCCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C9H14N4O5S2/c1-18-7(15)5-3-2-4-6(14)11-8-12-13-9(19-8)20(10,16)17/h2-5H2,1H3,(H2,10,16,17)(H,11,12,14)
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n/an/a 230n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits

J Med Chem 35: 2697-703 (1992)


BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(Homo sapiens (Human))		BDBM50229838
PNG
(CHEMBL88183)
Show SMILES CCCCCOC(=O)CCC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C12H20N4O5S2/c1-3-4-5-8-21-10(18)7-6-9(17)14-11-16(2)15-12(22-11)23(13,19)20/h3-8H2,1-2H3,(H2,13,19,20)/b14-11+
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n/an/a 310n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits

J Med Chem 35: 2697-703 (1992)


BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(Homo sapiens (Human))		BDBM50229841
PNG
(CHEMBL420799)
Show SMILES CCC(C)OC(=O)CCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H16N4O5S2/c1-3-6(2)19-8(16)5-4-7(15)12-9-13-14-10(20-9)21(11,17)18/h6H,3-5H2,1-2H3,(H2,11,17,18)(H,12,13,15)
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n/an/a 370n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits

J Med Chem 35: 2697-703 (1992)


BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(Homo sapiens (Human))		BDBM50229842
PNG
(CHEMBL90119)
Show SMILES CCCCCOC(=O)CCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C11H18N4O5S2/c1-2-3-4-7-20-9(17)6-5-8(16)13-10-14-15-11(21-10)22(12,18)19/h2-7H2,1H3,(H2,12,18,19)(H,13,14,16)
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n/an/a 390n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits

J Med Chem 35: 2697-703 (1992)


BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(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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n/an/a 440n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits

J Med Chem 35: 2697-703 (1992)


BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(Homo sapiens (Human))		BDBM50212309
PNG
(CHEMBL91302)
Show SMILES NCCCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H13N5O3S2/c8-4-2-1-3-5(13)10-6-11-12-7(16-6)17(9,14)15/h1-4,8H2,(H2,9,14,15)(H,10,11,13)
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n/an/a 440n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits

J Med Chem 35: 2697-703 (1992)


BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(Homo sapiens (Human))		BDBM50229847
PNG
(CHEMBL91512)
Show SMILES COC(=O)CCC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C8H12N4O5S2/c1-12-7(18-8(11-12)19(9,15)16)10-5(13)3-4-6(14)17-2/h3-4H2,1-2H3,(H2,9,15,16)/b10-7+
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n/an/a 450n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits

J Med Chem 35: 2697-703 (1992)


BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(Homo sapiens (Human))		BDBM50229846
PNG
(CHEMBL264307)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCCCCCCC(O)=O)s1
Show InChI InChI=1S/C11H18N4O5S2/c12-22(19,20)11-15-14-10(21-11)13-8(16)6-4-2-1-3-5-7-9(17)18/h1-7H2,(H,17,18)(H2,12,19,20)(H,13,14,16)
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n/an/a 480n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits

J Med Chem 35: 2697-703 (1992)


BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(Homo sapiens (Human))		BDBM50229835
PNG
(CHEMBL90857)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCCCC(O)=O)s1
Show InChI InChI=1S/C8H12N4O5S2/c9-19(16,17)8-12-11-7(18-8)10-5(13)3-1-2-4-6(14)15/h1-4H2,(H,14,15)(H2,9,16,17)(H,10,11,13)
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n/an/a 520n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits

J Med Chem 35: 2697-703 (1992)


BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(Homo sapiens (Human))		BDBM50229839
PNG
(CHEMBL91622)
Show SMILES CCCCCCCCCCCCOC(=O)CCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C18H32N4O5S2/c1-2-3-4-5-6-7-8-9-10-11-14-27-16(24)13-12-15(23)20-17-21-22-18(28-17)29(19,25)26/h2-14H2,1H3,(H2,19,25,26)(H,20,21,23)
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n/an/a 520n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits

J Med Chem 35: 2697-703 (1992)


BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(Homo sapiens (Human))		BDBM50229845
PNG
(CHEMBL91517)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCCC(O)=O)s1
Show InChI InChI=1S/C7H10N4O5S2/c8-18(15,16)7-11-10-6(17-7)9-4(12)2-1-3-5(13)14/h1-3H2,(H,13,14)(H2,8,15,16)(H,9,10,12)
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n/an/a 520n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits

J Med Chem 35: 2697-703 (1992)


BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(Homo sapiens (Human))		BDBM50229836
PNG
(CHEMBL92500)
Show SMILES COC(=O)CCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N4O5S2/c1-16-5(13)3-2-4(12)9-6-10-11-7(17-6)18(8,14)15/h2-3H2,1H3,(H2,8,14,15)(H,9,10,12)
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n/an/a 550n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits

J Med Chem 35: 2697-703 (1992)


BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(Homo sapiens (Human))		BDBM50185303
PNG
(CHEMBL88115)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(O)=O)s1
Show InChI InChI=1S/C6H8N4O5S2/c7-17(14,15)6-10-9-5(16-6)8-3(11)1-2-4(12)13/h1-2H2,(H,12,13)(H2,7,14,15)(H,8,9,11)
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n/an/a 550n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits

J Med Chem 35: 2697-703 (1992)


BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(Homo sapiens (Human))		BDBM50229843
PNG
(CHEMBL91131)
Show SMILES CCOC(=O)CCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H12N4O5S2/c1-2-17-6(14)4-3-5(13)10-7-11-12-8(18-7)19(9,15)16/h2-4H2,1H3,(H2,9,15,16)(H,10,11,13)
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n/an/a 730n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits

J Med Chem 35: 2697-703 (1992)


BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(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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n/an/a 840n/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 3 hydrolysis activity using 4-nitrophenyl acetate as substrate preincubated for 10 mins prior to s...

Bioorg Med Chem Lett 22: 1560-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.134
BindingDB Entry DOI: 10.7270/Q2NK3FHM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(Homo sapiens (Human))		BDBM50229837
PNG
(CHEMBL89489)
Show SMILES COC(=O)CCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H12N4O5S2/c1-17-6(14)4-2-3-5(13)10-7-11-12-8(18-7)19(9,15)16/h2-4H2,1H3,(H2,9,15,16)(H,10,11,13)
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n/an/a 910n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits

J Med Chem 35: 2697-703 (1992)


BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(Homo sapiens (Human))		BDBM50229844
PNG
(CHEMBL328566)
Show SMILES COC(=O)CCCCCCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C12H20N4O5S2/c1-21-10(18)8-6-4-2-3-5-7-9(17)14-11-15-16-12(22-11)23(13,19)20/h2-8H2,1H3,(H2,13,19,20)(H,14,15,17)
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n/an/a 910n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits

J Med Chem 35: 2697-703 (1992)


BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(Homo sapiens (Human))		BDBM50229840
PNG
(CHEMBL329625)
Show SMILES COC(=O)CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N4O5S2/c1-15-4(12)2-3(11)8-5-9-10-6(16-5)17(7,13)14/h2H2,1H3,(H2,7,13,14)(H,8,9,11)
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n/an/a 940n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits

J Med Chem 35: 2697-703 (1992)


BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(Homo sapiens (Human))		BDBM50028010
PNG
(AD-810 | CHEBI:10127 | CI-912 | PD-110843 | Zonegr...)
Show SMILES OS(=N)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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n/an/a 1.86E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase (unknown origin)

Bioorg Med Chem 22: 6715-25 (2014)


Article DOI: 10.1016/j.bmc.2014.08.014
BindingDB Entry DOI: 10.7270/Q20Z74W7
More data for this
Ligand-Target Pair
Carbonic anhydrase 3


(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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n/an/a 6.50E+3n/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 3 phosphatase activity using 4-nitrophenyl phosphate as substrate preincubated for 10 mins prior t...

Bioorg Med Chem Lett 22: 1560-4 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.134
BindingDB Entry DOI: 10.7270/Q2NK3FHM
More data for this
Ligand-Target Pair
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(Homo sapiens (Human))		BDBM50028011
PNG
(CHEMBL3360810)
Show SMILES Cc1c(sc2sc(c(-c3ccccc3)c12)-c1ccc(C#N)c(=O)[nH]1)-c1ccc(C(O)=O)c(=O)[nH]1
Show InChI InChI=1S/C25H15N3O4S2/c1-12-18-19(13-5-3-2-4-6-13)21(17-9-7-14(11-26)22(29)27-17)34-25(18)33-20(12)16-10-8-15(24(31)32)23(30)28-16/h2-10H,1H3,(H,27,29)(H,28,30)(H,31,32)
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n/an/a 2.70E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase (unknown origin)

Bioorg Med Chem 22: 6715-25 (2014)


Article DOI: 10.1016/j.bmc.2014.08.014
BindingDB Entry DOI: 10.7270/Q20Z74W7
More data for this
Ligand-Target Pair
Carbonic anhydrase 1/12/13/14/2/3/4/5A, mitochondrial/5B, mitochondrial/6/7/9


(Homo sapiens (Human))		BDBM50028012
PNG
(CHEMBL3360801)
Show SMILES [#6]\[#6](=[#6](\C#N)C#N)-c1sc2sc(\[#6](-[#6])=[#6](\C#N)C#N)c(-c3ccccc3)c2c1-[#6]
Show InChI InChI=1S/C23H14N4S2/c1-13(17(9-24)10-25)21-15(3)19-20(16-7-5-4-6-8-16)22(29-23(19)28-21)14(2)18(11-26)12-27/h4-8H,1-3H3
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n/an/a 4.42E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase (unknown origin)

Bioorg Med Chem 22: 6715-25 (2014)


Article DOI: 10.1016/j.bmc.2014.08.014
BindingDB Entry DOI: 10.7270/Q20Z74W7
More data for this
Ligand-Target Pair