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Compile Data Set for Download or QSAR

Found 90 hits Enz. Inhib. hit(s) with all data for entry = 50001725   
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))
BDBM50341392
PNG
(CHEMBL4171524)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C12H17NO2SSe/c13-16(14,15)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,13,14,15)
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0.240n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50341395
PNG
(CHEMBL4175369)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]C#C)cc1
Show InChI InChI=1S/C9H9NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h1,3-6H,7H2,(H2,10,11,12)
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0.25n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50341389
PNG
(CHEMBL4164747)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6]=[#6])cc1
Show InChI InChI=1S/C9H11NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
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0.270n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50341393
PNG
(CHEMBL4165154)
Show SMILES [#6]-[#6](-[#6])[Se;v2]c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C9H13NO2SSe/c1-7(2)14-9-5-3-8(4-6-9)13(10,11)12/h3-7H,1-2H3,(H2,10,11,12)
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0.280n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50341388
PNG
(CHEMBL4159208)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6]-c2ccccc2)cc1
Show InChI InChI=1S/C14H15NO2SSe/c15-18(16,17)13-6-8-14(9-7-13)19-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17)
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0.310n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50341394
PNG
(CHEMBL4171921)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C11H17NO2SSe/c1-2-3-4-9-16-11-7-5-10(6-8-11)15(12,13)14/h5-8H,2-4,9H2,1H3,(H2,12,13,14)
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0.380n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50341391
PNG
(CHEMBL4163634)
Show SMILES [#6]-[#8]-[#6]-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C9H13NO3SSe/c1-13-6-7-15-9-4-2-8(3-5-9)14(10,11)12/h2-5H,6-7H2,1H3,(H2,10,11,12)
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0.770n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50341387
PNG
(CHEMBL4161324)
Show SMILES [#6]C#C[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C10H11NO2SSe/c1-2-3-8-15-10-6-4-9(5-7-10)14(11,12)13/h4-7H,8H2,1H3,(H2,11,12,13)
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2n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50341387
PNG
(CHEMBL4161324)
Show SMILES [#6]C#C[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C10H11NO2SSe/c1-2-3-8-15-10-6-4-9(5-7-10)14(11,12)13/h4-7H,8H2,1H3,(H2,11,12,13)
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2.20n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50341396
PNG
(CHEMBL4176433)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6]-[#8])cc1
Show InChI InChI=1S/C8H11NO3SSe/c9-13(11,12)7-1-3-8(4-2-7)14-6-5-10/h1-4,10H,5-6H2,(H2,9,11,12)
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2.40n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50341393
PNG
(CHEMBL4165154)
Show SMILES [#6]-[#6](-[#6])[Se;v2]c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C9H13NO2SSe/c1-7(2)14-9-5-3-8(4-6-9)13(10,11)12/h3-7H,1-2H3,(H2,10,11,12)
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2.40n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
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



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50341392
PNG
(CHEMBL4171524)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C12H17NO2SSe/c13-16(14,15)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,13,14,15)
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2.60n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50341394
PNG
(CHEMBL4171921)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C11H17NO2SSe/c1-2-3-4-9-16-11-7-5-10(6-8-11)15(12,13)14/h5-8H,2-4,9H2,1H3,(H2,12,13,14)
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2.60n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50341389
PNG
(CHEMBL4164747)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6]=[#6])cc1
Show InChI InChI=1S/C9H11NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
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2.60n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50341390
PNG
(CHEMBL4161665)
Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Se;v2]c2ccccc2)cc1
Show InChI InChI=1S/C13H13NO2SSe/c14-17(15,16)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H2,14,15,16)
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2.70n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50341386
PNG
(CHEMBL4173057)
Show SMILES [#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C7H9NO2SSe/c1-12-7-4-2-6(3-5-7)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
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2.70n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50341395
PNG
(CHEMBL4175369)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]C#C)cc1
Show InChI InChI=1S/C9H9NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h1,3-6H,7H2,(H2,10,11,12)
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2.70n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50279705
PNG
(CHEMBL4161289)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][Se;v2]c2ccc(cc2)S([#7])(=O)=O)cc1
Show InChI InChI=1S/C12H12N2O4S2Se2/c13-19(15,16)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)20(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)
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2.70n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50341394
PNG
(CHEMBL4171921)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C11H17NO2SSe/c1-2-3-4-9-16-11-7-5-10(6-8-11)15(12,13)14/h5-8H,2-4,9H2,1H3,(H2,12,13,14)
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2.90n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50341391
PNG
(CHEMBL4163634)
Show SMILES [#6]-[#8]-[#6]-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C9H13NO3SSe/c1-13-6-7-15-9-4-2-8(3-5-9)14(10,11)12/h2-5H,6-7H2,1H3,(H2,10,11,12)
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4n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50341386
PNG
(CHEMBL4173057)
Show SMILES [#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C7H9NO2SSe/c1-12-7-4-2-6(3-5-7)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
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4.60n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50341388
PNG
(CHEMBL4159208)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6]-c2ccccc2)cc1
Show InChI InChI=1S/C14H15NO2SSe/c15-18(16,17)13-6-8-14(9-7-13)19-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17)
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5.10n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50341389
PNG
(CHEMBL4164747)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6]=[#6])cc1
Show InChI InChI=1S/C9H11NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
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5.20n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50341390
PNG
(CHEMBL4161665)
Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Se;v2]c2ccccc2)cc1
Show InChI InChI=1S/C13H13NO2SSe/c14-17(15,16)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H2,14,15,16)
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5.40n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50341396
PNG
(CHEMBL4176433)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6]-[#8])cc1
Show InChI InChI=1S/C8H11NO3SSe/c9-13(11,12)7-1-3-8(4-2-7)14-6-5-10/h1-4,10H,5-6H2,(H2,9,11,12)
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5.40n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50341391
PNG
(CHEMBL4163634)
Show SMILES [#6]-[#8]-[#6]-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C9H13NO3SSe/c1-13-6-7-15-9-4-2-8(3-5-9)14(10,11)12/h2-5H,6-7H2,1H3,(H2,10,11,12)
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5.5n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50279705
PNG
(CHEMBL4161289)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][Se;v2]c2ccc(cc2)S([#7])(=O)=O)cc1
Show InChI InChI=1S/C12H12N2O4S2Se2/c13-19(15,16)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)20(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)
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5.70n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50279713
PNG
(CHEMBL4159870)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2]C#N)cc1
Show InChI InChI=1S/C7H6N2O2SSe/c8-5-13-7-3-1-6(2-4-7)12(9,10)11/h1-4H,(H2,9,10,11)
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5.70n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 5B, mitochondrial


(Homo sapiens (Human))
BDBM50341393
PNG
(CHEMBL4165154)
Show SMILES [#6]-[#6](-[#6])[Se;v2]c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C9H13NO2SSe/c1-7(2)14-9-5-3-8(4-6-9)13(10,11)12/h3-7H,1-2H3,(H2,10,11,12)
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5.70n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50341395
PNG
(CHEMBL4175369)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]C#C)cc1
Show InChI InChI=1S/C9H9NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h1,3-6H,7H2,(H2,10,11,12)
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5.80n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50341392
PNG
(CHEMBL4171524)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C12H17NO2SSe/c13-16(14,15)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,13,14,15)
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6.30n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50341390
PNG
(CHEMBL4161665)
Show SMILES [#7]S(=O)(=O)c1ccc(-[#6][Se;v2]c2ccccc2)cc1
Show InChI InChI=1S/C13H13NO2SSe/c14-17(15,16)12-8-6-11(7-9-12)10-18-13-4-2-1-3-5-13/h1-9H,10H2,(H2,14,15,16)
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6.60n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50341389
PNG
(CHEMBL4164747)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6]=[#6])cc1
Show InChI InChI=1S/C9H11NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
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6.90n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50341393
PNG
(CHEMBL4165154)
Show SMILES [#6]-[#6](-[#6])[Se;v2]c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C9H13NO2SSe/c1-7(2)14-9-5-3-8(4-6-9)13(10,11)12/h3-7H,1-2H3,(H2,10,11,12)
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7.10n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50279713
PNG
(CHEMBL4159870)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2]C#N)cc1
Show InChI InChI=1S/C7H6N2O2SSe/c8-5-13-7-3-1-6(2-4-7)12(9,10)11/h1-4H,(H2,9,10,11)
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7.10n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50341387
PNG
(CHEMBL4161324)
Show SMILES [#6]C#C[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C10H11NO2SSe/c1-2-3-8-15-10-6-4-9(5-7-10)14(11,12)13/h4-7H,8H2,1H3,(H2,11,12,13)
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7.10n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50279705
PNG
(CHEMBL4161289)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][Se;v2]c2ccc(cc2)S([#7])(=O)=O)cc1
Show InChI InChI=1S/C12H12N2O4S2Se2/c13-19(15,16)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)20(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)
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7.30n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50341386
PNG
(CHEMBL4173057)
Show SMILES [#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C7H9NO2SSe/c1-12-7-4-2-6(3-5-7)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
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7.30n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50341395
PNG
(CHEMBL4175369)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]C#C)cc1
Show InChI InChI=1S/C9H9NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h1,3-6H,7H2,(H2,10,11,12)
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7.30n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50341387
PNG
(CHEMBL4161324)
Show SMILES [#6]C#C[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C10H11NO2SSe/c1-2-3-8-15-10-6-4-9(5-7-10)14(11,12)13/h4-7H,8H2,1H3,(H2,11,12,13)
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7.60n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50279705
PNG
(CHEMBL4161289)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][Se;v2]c2ccc(cc2)S([#7])(=O)=O)cc1
Show InChI InChI=1S/C12H12N2O4S2Se2/c13-19(15,16)9-1-5-11(6-2-9)21-22-12-7-3-10(4-8-12)20(14,17)18/h1-8H,(H2,13,15,16)(H2,14,17,18)
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7.90n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50279713
PNG
(CHEMBL4159870)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2]C#N)cc1
Show InChI InChI=1S/C7H6N2O2SSe/c8-5-13-7-3-1-6(2-4-7)12(9,10)11/h1-4H,(H2,9,10,11)
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8.20n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50341388
PNG
(CHEMBL4159208)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6]-c2ccccc2)cc1
Show InChI InChI=1S/C14H15NO2SSe/c15-18(16,17)13-6-8-14(9-7-13)19-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17)
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8.70n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 5A, mitochondrial


(Homo sapiens (Human))
BDBM50341392
PNG
(CHEMBL4171524)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)cc1
Show InChI InChI=1S/C12H17NO2SSe/c13-16(14,15)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,13,14,15)
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8.80n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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9n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50341388
PNG
(CHEMBL4159208)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6]-c2ccccc2)cc1
Show InChI InChI=1S/C14H15NO2SSe/c15-18(16,17)13-6-8-14(9-7-13)19-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17)
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9.30n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50341395
PNG
(CHEMBL4175369)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]C#C)cc1
Show InChI InChI=1S/C9H9NO2SSe/c1-2-7-14-9-5-3-8(4-6-9)13(10,11)12/h1,3-6H,7H2,(H2,10,11,12)
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9.30n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50279713
PNG
(CHEMBL4159870)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2]C#N)cc1
Show InChI InChI=1S/C7H6N2O2SSe/c8-5-13-7-3-1-6(2-4-7)12(9,10)11/h1-4H,(H2,9,10,11)
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9.30n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50341393
PNG
(CHEMBL4165154)
Show SMILES [#6]-[#6](-[#6])[Se;v2]c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C9H13NO2SSe/c1-7(2)14-9-5-3-8(4-6-9)13(10,11)12/h3-7H,1-2H3,(H2,10,11,12)
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9.70n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 after 15 mins by stopped flow carbon dioxide hydration assay


ACS Med Chem Lett 9: 462-467 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00076
BindingDB Entry DOI: 10.7270/Q2319ZFQ
More data for this
Ligand-Target Pair
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