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PubMed code 26688270

Compile data set for download or QSAR
Found 104 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 9


(Homo sapiens (Human))
BDBM50143209
PNG
(CHEMBL3758827)
Show SMILES S=c1ccc2ccc(OCc3cn(nn3)-c3ccccc3)cc2o1
Show InChI InChI=1S/C18H13N3O2S/c24-18-9-7-13-6-8-16(10-17(13)23-18)22-12-14-11-21(20-19-14)15-4-2-1-3-5-15/h1-11H,12H2
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50125584
PNG
(CHEMBL3623663)
Show SMILES O=c1ccc2ccc(OCc3cn(nn3)-c3ccccc3)cc2o1
Show InChI InChI=1S/C18H13N3O3/c22-18-9-7-13-6-8-16(10-17(13)24-18)23-12-14-11-21(20-19-14)15-4-2-1-3-5-15/h1-11H,12H2
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5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
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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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50125584
PNG
(CHEMBL3623663)
Show SMILES O=c1ccc2ccc(OCc3cn(nn3)-c3ccccc3)cc2o1
Show InChI InChI=1S/C18H13N3O3/c22-18-9-7-13-6-8-16(10-17(13)24-18)23-12-14-11-21(20-19-14)15-4-2-1-3-5-15/h1-11H,12H2
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50143209
PNG
(CHEMBL3758827)
Show SMILES S=c1ccc2ccc(OCc3cn(nn3)-c3ccccc3)cc2o1
Show InChI InChI=1S/C18H13N3O2S/c24-18-9-7-13-6-8-16(10-17(13)23-18)22-12-14-11-21(20-19-14)15-4-2-1-3-5-15/h1-11H,12H2
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27n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50327651
PNG
(6-Hydroxycoumarin | 6-hydroxy-2H-chromen-2-one | C...)
Show SMILES Oc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10H
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190n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
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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200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366104
PNG
(CHEMBL1957180)
Show SMILES C=CCOc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C12H10O3/c1-2-7-14-11-8-12(13)15-10-6-4-3-5-9(10)11/h2-6,8H,1,7H2
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210n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143211
PNG
(CHEMBL3760055)
Show SMILES S=c1ccc2ccc(OCCCC#C)cc2o1
Show InChI InChI=1S/C14H12O2S/c1-2-3-4-9-15-12-7-5-11-6-8-14(17)16-13(11)10-12/h1,5-8,10H,3-4,9H2
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220n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366096
PNG
(CHEMBL1957175)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C15H20O3Si/c1-15(2,3)19(4,5)18-12-7-8-13-11(10-12)6-9-14(16)17-13/h6-10H,1-5H3
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280n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366097
PNG
(CHEMBL1957176)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc2oc(=S)ccc2c1
Show InChI InChI=1S/C15H20O2SSi/c1-15(2,3)19(4,5)17-12-7-8-13-11(10-12)6-9-14(18)16-13/h6-10H,1-5H3
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310n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366101
PNG
(CHEMBL1955879)
Show SMILES Oc1ccc2ccc(=S)oc2c1
Show InChI InChI=1S/C9H6O2S/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5,10H
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320n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366098
PNG
(CHEMBL1957177)
Show SMILES Oc1ccc2oc(=S)ccc2c1
Show InChI InChI=1S/C9H6O2S/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5,10H
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340n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366100
PNG
(CHEMBL1957179)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc2ccc(=S)oc2c1
Show InChI InChI=1S/C15H20O2SSi/c1-15(2,3)19(4,5)17-12-8-6-11-7-9-14(18)16-13(11)10-12/h6-10H,1-5H3
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350n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50143210
PNG
(CHEMBL3121782)
Show SMILES O=c1ccc2ccc(OCCCC#C)cc2o1
Show InChI InChI=1S/C14H12O3/c1-2-3-4-9-16-12-7-5-11-6-8-14(15)17-13(11)10-12/h1,5-8,10H,3-4,9H2
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370n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50143211
PNG
(CHEMBL3760055)
Show SMILES S=c1ccc2ccc(OCCCC#C)cc2o1
Show InChI InChI=1S/C14H12O2S/c1-2-3-4-9-15-12-7-5-11-6-8-14(17)16-13(11)10-12/h1,5-8,10H,3-4,9H2
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410n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50055710
PNG
(4-HYDROXY-2H-CHROMEN-2-ONE | 4-Hydroxy-chromen-2-o...)
Show SMILES Oc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
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410n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50174558
PNG
(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Show SMILES Oc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
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480n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366103
PNG
(CHEMBL432745)
Show SMILES C=CCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C12H10O3/c1-2-7-14-10-5-3-9-4-6-12(13)15-11(9)8-10/h2-6,8H,1,7H2
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640n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50327651
PNG
(6-Hydroxycoumarin | 6-hydroxy-2H-chromen-2-one | C...)
Show SMILES Oc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10H
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680n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366103
PNG
(CHEMBL432745)
Show SMILES C=CCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C12H10O3/c1-2-7-14-10-5-3-9-4-6-12(13)15-11(9)8-10/h2-6,8H,1,7H2
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730n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50143207
PNG
(CHEMBL308819)
Show SMILES O=c1ccc2ccc(OCC#C)cc2o1
Show InChI InChI=1S/C12H8O3/c1-2-7-14-10-5-3-9-4-6-12(13)15-11(9)8-10/h1,3-6,8H,7H2
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730n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50174558
PNG
(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Show SMILES Oc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
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750n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366101
PNG
(CHEMBL1955879)
Show SMILES Oc1ccc2ccc(=S)oc2c1
Show InChI InChI=1S/C9H6O2S/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5,10H
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780n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366096
PNG
(CHEMBL1957175)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C15H20O3Si/c1-15(2,3)19(4,5)18-12-7-8-13-11(10-12)6-9-14(16)17-13/h6-10H,1-5H3
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800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366102
PNG
(CHEMBL1957172)
Show SMILES C=CCOc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C12H10O3/c1-2-7-14-10-4-5-11-9(8-10)3-6-12(13)15-11/h2-6,8H,1,7H2
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800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366098
PNG
(CHEMBL1957177)
Show SMILES Oc1ccc2oc(=S)ccc2c1
Show InChI InChI=1S/C9H6O2S/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5,10H
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800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366099
PNG
(CHEMBL1957178)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C15H20O3Si/c1-15(2,3)19(4,5)18-12-8-6-11-7-9-14(16)17-13(11)10-12/h6-10H,1-5H3
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830n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143210
PNG
(CHEMBL3121782)
Show SMILES O=c1ccc2ccc(OCCCC#C)cc2o1
Show InChI InChI=1S/C14H12O3/c1-2-3-4-9-16-12-7-5-11-6-8-14(15)17-13(11)10-12/h1,5-8,10H,3-4,9H2
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830n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366099
PNG
(CHEMBL1957178)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C15H20O3Si/c1-15(2,3)19(4,5)18-12-8-6-11-7-9-14(16)17-13(11)10-12/h6-10H,1-5H3
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850n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366097
PNG
(CHEMBL1957176)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc2oc(=S)ccc2c1
Show InChI InChI=1S/C15H20O2SSi/c1-15(2,3)19(4,5)17-12-7-8-13-11(10-12)6-9-14(18)16-13/h6-10H,1-5H3
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860n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366104
PNG
(CHEMBL1957180)
Show SMILES C=CCOc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C12H10O3/c1-2-7-14-11-8-12(13)15-10-6-4-3-5-9(10)11/h2-6,8H,1,7H2
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880n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366102
PNG
(CHEMBL1957172)
Show SMILES C=CCOc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C12H10O3/c1-2-7-14-10-4-5-11-9(8-10)3-6-12(13)15-11/h2-6,8H,1,7H2
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930n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366100
PNG
(CHEMBL1957179)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc2ccc(=S)oc2c1
Show InChI InChI=1S/C15H20O2SSi/c1-15(2,3)19(4,5)17-12-8-6-11-7-9-14(18)16-13(11)10-12/h6-10H,1-5H3
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960n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143213
PNG
(CHEMBL3760092)
Show SMILES O=c1ccc2ccccc2s1
Show InChI InChI=1S/C9H6OS/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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970n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366105
PNG
(CHEMBL1957181)
Show SMILES C=CCOc1ccc2oc(=S)ccc2c1
Show InChI InChI=1S/C12H10O2S/c1-2-7-13-10-4-5-11-9(8-10)3-6-12(15)14-11/h2-6,8H,1,7H2
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1.25E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366107
PNG
(CHEMBL1957183)
Show SMILES C=CCOc1cc(=S)oc2ccccc12
Show InChI InChI=1S/C12H10O2S/c1-2-7-13-11-8-12(15)14-10-6-4-3-5-9(10)11/h2-6,8H,1,7H2
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1.27E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143207
PNG
(CHEMBL308819)
Show SMILES O=c1ccc2ccc(OCC#C)cc2o1
Show InChI InChI=1S/C12H8O3/c1-2-7-14-10-5-3-9-4-6-12(13)15-11(9)8-10/h1,3-6,8H,7H2
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1.35E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50366106
PNG
(CHEMBL1957182)
Show SMILES C=CCOc1ccc2ccc(=S)oc2c1
Show InChI InChI=1S/C12H10O2S/c1-2-7-13-10-5-3-9-4-6-12(15)14-11(9)8-10/h2-6,8H,1,7H2
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2.83E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366107
PNG
(CHEMBL1957183)
Show SMILES C=CCOc1cc(=S)oc2ccccc12
Show InChI InChI=1S/C12H10O2S/c1-2-7-13-11-8-12(15)14-10-6-4-3-5-9(10)11/h2-6,8H,1,7H2
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3.04E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM12342
PNG
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES O=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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3.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366106
PNG
(CHEMBL1957182)
Show SMILES C=CCOc1ccc2ccc(=S)oc2c1
Show InChI InChI=1S/C12H10O2S/c1-2-7-13-10-5-3-9-4-6-12(15)14-11(9)8-10/h2-6,8H,1,7H2
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3.23E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50366105
PNG
(CHEMBL1957181)
Show SMILES C=CCOc1ccc2oc(=S)ccc2c1
Show InChI InChI=1S/C12H10O2S/c1-2-7-13-10-4-5-11-9(8-10)3-6-12(15)14-11/h2-6,8H,1,7H2
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3.26E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50055710
PNG
(4-HYDROXY-2H-CHROMEN-2-ONE | 4-Hydroxy-chromen-2-o...)
Show SMILES Oc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
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6.30E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143212
PNG
(CHEMBL3759409)
Show SMILES S=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6OS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H
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6.70E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366098
PNG
(CHEMBL1957177)
Show SMILES Oc1ccc2oc(=S)ccc2c1
Show InChI InChI=1S/C9H6O2S/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5,10H
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7.17E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366097
PNG
(CHEMBL1957176)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc2oc(=S)ccc2c1
Show InChI InChI=1S/C15H20O2SSi/c1-15(2,3)19(4,5)17-12-7-8-13-11(10-12)6-9-14(18)16-13/h6-10H,1-5H3
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7.57E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366106
PNG
(CHEMBL1957182)
Show SMILES C=CCOc1ccc2ccc(=S)oc2c1
Show InChI InChI=1S/C12H10O2S/c1-2-7-13-10-5-3-9-4-6-12(15)14-11(9)8-10/h2-6,8H,1,7H2
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7.60E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366101
PNG
(CHEMBL1955879)
Show SMILES Oc1ccc2ccc(=S)oc2c1
Show InChI InChI=1S/C9H6O2S/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5,10H
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8.02E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366100
PNG
(CHEMBL1957179)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc2ccc(=S)oc2c1
Show InChI InChI=1S/C15H20O2SSi/c1-15(2,3)19(4,5)17-12-8-6-11-7-9-14(18)16-13(11)10-12/h6-10H,1-5H3
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8.18E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366099
PNG
(CHEMBL1957178)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C15H20O3Si/c1-15(2,3)19(4,5)18-12-8-6-11-7-9-14(16)17-13(11)10-12/h6-10H,1-5H3
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8.32E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366105
PNG
(CHEMBL1957181)
Show SMILES C=CCOc1ccc2oc(=S)ccc2c1
Show InChI InChI=1S/C12H10O2S/c1-2-7-13-10-4-5-11-9(8-10)3-6-12(15)14-11/h2-6,8H,1,7H2
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8.51E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366096
PNG
(CHEMBL1957175)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C15H20O3Si/c1-15(2,3)19(4,5)18-12-7-8-13-11(10-12)6-9-14(16)17-13/h6-10H,1-5H3
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8.78E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM12342
PNG
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES O=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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9.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366107
PNG
(CHEMBL1957183)
Show SMILES C=CCOc1cc(=S)oc2ccccc12
Show InChI InChI=1S/C12H10O2S/c1-2-7-13-11-8-12(15)14-10-6-4-3-5-9(10)11/h2-6,8H,1,7H2
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9.24E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143214
PNG
(CHEMBL3759932)
Show SMILES S=c1ccc2ccccc2s1
Show InChI InChI=1S/C9H6S2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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1.96E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50143213
PNG
(CHEMBL3760092)
Show SMILES O=c1ccc2ccccc2s1
Show InChI InChI=1S/C9H6OS/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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2.65E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366102
PNG
(CHEMBL1957172)
Show SMILES C=CCOc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C12H10O3/c1-2-7-14-10-4-5-11-9(8-10)3-6-12(13)15-11/h2-6,8H,1,7H2
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3.03E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50143208
PNG
(CHEMBL3758522)
Show SMILES S=c1ccc2ccc(OCC#C)cc2o1
Show InChI InChI=1S/C12H8O2S/c1-2-7-13-10-5-3-9-4-6-12(15)14-11(9)8-10/h1,3-6,8H,7H2
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3.89E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50143208
PNG
(CHEMBL3758522)
Show SMILES S=c1ccc2ccc(OCC#C)cc2o1
Show InChI InChI=1S/C12H8O2S/c1-2-7-13-10-5-3-9-4-6-12(15)14-11(9)8-10/h1,3-6,8H,7H2
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4.16E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366104
PNG
(CHEMBL1957180)
Show SMILES C=CCOc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C12H10O3/c1-2-7-14-11-8-12(13)15-10-6-4-3-5-9(10)11/h2-6,8H,1,7H2
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4.32E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50174558
PNG
(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Show SMILES Oc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
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5.84E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143207
PNG
(CHEMBL308819)
Show SMILES O=c1ccc2ccc(OCC#C)cc2o1
Show InChI InChI=1S/C12H8O3/c1-2-7-14-10-5-3-9-4-6-12(13)15-11(9)8-10/h1,3-6,8H,7H2
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7.20E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50366103
PNG
(CHEMBL432745)
Show SMILES C=CCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C12H10O3/c1-2-7-14-10-5-3-9-4-6-12(13)15-11(9)8-10/h2-6,8H,1,7H2
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7.29E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50055710
PNG
(4-HYDROXY-2H-CHROMEN-2-ONE | 4-Hydroxy-chromen-2-o...)
Show SMILES Oc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
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9.50E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50143212
PNG
(CHEMBL3759409)
Show SMILES S=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6OS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H
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9.52E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50143214
PNG
(CHEMBL3759932)
Show SMILES S=c1ccc2ccccc2s1
Show InChI InChI=1S/C9H6S2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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9.60E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM12342
PNG
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES O=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12342
PNG
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES O=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143213
PNG
(CHEMBL3760092)
Show SMILES O=c1ccc2ccccc2s1
Show InChI InChI=1S/C9H6OS/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50174558
PNG
(7-hydroxy-2H-1-benzopyran-2-one | 7-hydroxy-2H-chr...)
Show SMILES Oc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366104
PNG
(CHEMBL1957180)
Show SMILES C=CCOc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C12H10O3/c1-2-7-14-11-8-12(13)15-10-6-4-3-5-9(10)11/h2-6,8H,1,7H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50327651
PNG
(6-Hydroxycoumarin | 6-hydroxy-2H-chromen-2-one | C...)
Show SMILES Oc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10H
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143209
PNG
(CHEMBL3758827)
Show SMILES S=c1ccc2ccc(OCc3cn(nn3)-c3ccccc3)cc2o1
Show InChI InChI=1S/C18H13N3O2S/c24-18-9-7-13-6-8-16(10-17(13)23-18)22-12-14-11-21(20-19-14)15-4-2-1-3-5-15/h1-11H,12H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143211
PNG
(CHEMBL3760055)
Show SMILES S=c1ccc2ccc(OCCCC#C)cc2o1
Show InChI InChI=1S/C14H12O2S/c1-2-3-4-9-15-12-7-5-11-6-8-14(17)16-13(11)10-12/h1,5-8,10H,3-4,9H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50125584
PNG
(CHEMBL3623663)
Show SMILES O=c1ccc2ccc(OCc3cn(nn3)-c3ccccc3)cc2o1
Show InChI InChI=1S/C18H13N3O3/c22-18-9-7-13-6-8-16(10-17(13)24-18)23-12-14-11-21(20-19-14)15-4-2-1-3-5-15/h1-11H,12H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143208
PNG
(CHEMBL3758522)
Show SMILES S=c1ccc2ccc(OCC#C)cc2o1
Show InChI InChI=1S/C12H8O2S/c1-2-7-13-10-5-3-9-4-6-12(15)14-11(9)8-10/h1,3-6,8H,7H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366103
PNG
(CHEMBL432745)
Show SMILES C=CCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C12H10O3/c1-2-7-14-10-5-3-9-4-6-12(13)15-11(9)8-10/h2-6,8H,1,7H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366100
PNG
(CHEMBL1957179)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc2ccc(=S)oc2c1
Show InChI InChI=1S/C15H20O2SSi/c1-15(2,3)19(4,5)17-12-8-6-11-7-9-14(18)16-13(11)10-12/h6-10H,1-5H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366105
PNG
(CHEMBL1957181)
Show SMILES C=CCOc1ccc2oc(=S)ccc2c1
Show InChI InChI=1S/C12H10O2S/c1-2-7-13-10-4-5-11-9(8-10)3-6-12(15)14-11/h2-6,8H,1,7H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143210
PNG
(CHEMBL3121782)
Show SMILES O=c1ccc2ccc(OCCCC#C)cc2o1
Show InChI InChI=1S/C14H12O3/c1-2-3-4-9-16-12-7-5-11-6-8-14(15)17-13(11)10-12/h1,5-8,10H,3-4,9H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366106
PNG
(CHEMBL1957182)
Show SMILES C=CCOc1ccc2ccc(=S)oc2c1
Show InChI InChI=1S/C12H10O2S/c1-2-7-13-10-5-3-9-4-6-12(15)14-11(9)8-10/h2-6,8H,1,7H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366102
PNG
(CHEMBL1957172)
Show SMILES C=CCOc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C12H10O3/c1-2-7-14-10-4-5-11-9(8-10)3-6-12(13)15-11/h2-6,8H,1,7H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143213
PNG
(CHEMBL3760092)
Show SMILES O=c1ccc2ccccc2s1
Show InChI InChI=1S/C9H6OS/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143214
PNG
(CHEMBL3759932)
Show SMILES S=c1ccc2ccccc2s1
Show InChI InChI=1S/C9H6S2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143212
PNG
(CHEMBL3759409)
Show SMILES S=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6OS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143207
PNG
(CHEMBL308819)
Show SMILES O=c1ccc2ccc(OCC#C)cc2o1
Show InChI InChI=1S/C12H8O3/c1-2-7-14-10-5-3-9-4-6-12(13)15-11(9)8-10/h1,3-6,8H,7H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143212
PNG
(CHEMBL3759409)
Show SMILES S=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6OS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143214
PNG
(CHEMBL3759932)
Show SMILES S=c1ccc2ccccc2s1
Show InChI InChI=1S/C9H6S2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366107
PNG
(CHEMBL1957183)
Show SMILES C=CCOc1cc(=S)oc2ccccc12
Show InChI InChI=1S/C12H10O2S/c1-2-7-13-11-8-12(15)14-10-6-4-3-5-9(10)11/h2-6,8H,1,7H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50327651
PNG
(6-Hydroxycoumarin | 6-hydroxy-2H-chromen-2-one | C...)
Show SMILES Oc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C9H6O3/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5,10H
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50055710
PNG
(4-HYDROXY-2H-CHROMEN-2-ONE | 4-Hydroxy-chromen-2-o...)
Show SMILES Oc1cc(=O)oc2ccccc12
Show InChI InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366096
PNG
(CHEMBL1957175)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C15H20O3Si/c1-15(2,3)19(4,5)18-12-7-8-13-11(10-12)6-9-14(16)17-13/h6-10H,1-5H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366099
PNG
(CHEMBL1957178)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C15H20O3Si/c1-15(2,3)19(4,5)18-12-8-6-11-7-9-14(16)17-13(11)10-12/h6-10H,1-5H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366097
PNG
(CHEMBL1957176)
Show SMILES CC(C)(C)[Si](C)(C)Oc1ccc2oc(=S)ccc2c1
Show InChI InChI=1S/C15H20O2SSi/c1-15(2,3)19(4,5)17-12-7-8-13-11(10-12)6-9-14(18)16-13/h6-10H,1-5H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366101
PNG
(CHEMBL1955879)
Show SMILES Oc1ccc2ccc(=S)oc2c1
Show InChI InChI=1S/C9H6O2S/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5,10H
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>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143210
PNG
(CHEMBL3121782)
Show SMILES O=c1ccc2ccc(OCCCC#C)cc2o1
Show InChI InChI=1S/C14H12O3/c1-2-3-4-9-16-12-7-5-11-6-8-14(15)17-13(11)10-12/h1,5-8,10H,3-4,9H2
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1.24E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143211
PNG
(CHEMBL3760055)
Show SMILES S=c1ccc2ccc(OCCCC#C)cc2o1
Show InChI InChI=1S/C14H12O2S/c1-2-3-4-9-15-12-7-5-11-6-8-14(17)16-13(11)10-12/h1,5-8,10H,3-4,9H2
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>2.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143209
PNG
(CHEMBL3758827)
Show SMILES S=c1ccc2ccc(OCc3cn(nn3)-c3ccccc3)cc2o1
Show InChI InChI=1S/C18H13N3O2S/c24-18-9-7-13-6-8-16(10-17(13)23-18)22-12-14-11-21(20-19-14)15-4-2-1-3-5-15/h1-11H,12H2
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>2.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50125584
PNG
(CHEMBL3623663)
Show SMILES O=c1ccc2ccc(OCc3cn(nn3)-c3ccccc3)cc2o1
Show InChI InChI=1S/C18H13N3O3/c22-18-9-7-13-6-8-16(10-17(13)24-18)23-12-14-11-21(20-19-14)15-4-2-1-3-5-15/h1-11H,12H2
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>2.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50366098
PNG
(CHEMBL1957177)
Show SMILES Oc1ccc2oc(=S)ccc2c1
Show InChI InChI=1S/C9H6O2S/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5,10H
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2.85E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143208
PNG
(CHEMBL3758522)
Show SMILES S=c1ccc2ccc(OCC#C)cc2o1
Show InChI InChI=1S/C12H8O2S/c1-2-7-13-10-5-3-9-4-6-12(15)14-11(9)8-10/h1,3-6,8H,7H2
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9.50E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay


J Med Chem 59: 462-73 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01720
BindingDB Entry DOI: 10.7270/Q2P2710K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%