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Compile Data Set for Download or QSAR

Found 456 hits with Last Name = 'micheli' and Initial = 'l'   
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 2


(Homo sapiens (Human))
BDBM50515303
PNG
(CHEMBL4435346)
Show SMILES NS(=O)(=O)c1ccc(OCCCCN(CC#C)CC#C)cc1
Show InChI InChI=1S/C16H20N2O3S/c1-3-11-18(12-4-2)13-5-6-14-21-15-7-9-16(10-8-15)22(17,19)20/h1-2,7-10H,5-6,11-14H2,(H2,17,19,20)
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0.440n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...


J Med Chem 62: 7233-7249 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00845
BindingDB Entry DOI: 10.7270/Q2D79FRD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50528166
PNG
(CHEMBL4519039)
Show SMILES NS(=O)(=O)c1ccc(O[P@@](=O)(OCC#C)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C15H14NO5PS/c1-2-12-20-22(17,14-6-4-3-5-7-14)21-13-8-10-15(11-9-13)23(16,18)19/h1,3-11H,12H2,(H2,16,18,19)/t22-/m0/s1
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0.780n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...


J Med Chem 63: 5185-5200 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02135
BindingDB Entry DOI: 10.7270/Q2W380S2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50515303
PNG
(CHEMBL4435346)
Show SMILES NS(=O)(=O)c1ccc(OCCCCN(CC#C)CC#C)cc1
Show InChI InChI=1S/C16H20N2O3S/c1-3-11-18(12-4-2)13-5-6-14-21-15-7-9-16(10-8-15)22(17,19)20/h1-2,7-10H,5-6,11-14H2,(H2,17,19,20)
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0.800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...


J Med Chem 62: 7233-7249 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00845
BindingDB Entry DOI: 10.7270/Q2D79FRD
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50515302
PNG
(CHEMBL4462614)
Show SMILES NS(=O)(=O)c1ccc(SCC#C)cc1
Show InChI InChI=1S/C9H9NO2S2/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h1,3-6H,7H2,(H2,10,11,12)
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0.860n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...


J Med Chem 62: 7233-7249 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00845
BindingDB Entry DOI: 10.7270/Q2D79FRD
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50589825
PNG
(CHEMBL5193273)
Show SMILES COc1cc(ccc1CNCCc1ccc(cc1)S(N)(=O)=O)[N+]([O-])=O
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0.900n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50082763
PNG
(CHEMBL3423262)
Show SMILES COc1ccc(CNCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H20N2O3S/c1-21-15-6-2-14(3-7-15)12-18-11-10-13-4-8-16(9-5-13)22(17,19)20/h2-9,18H,10-12H2,1H3,(H2,17,19,20)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50589826
PNG
(CHEMBL5183301)
Show SMILES COc1ccc(CNCCc2ccc(cc2)S(N)(=O)=O)cc1OC
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50589827
PNG
(CHEMBL5192003)
Show SMILES CSc1ccc(CNCCc2ccc(cc2)S(N)(=O)=O)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50004997
PNG
(CHEMBL2392427)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H20N2O2S/c20-24(22,23)18-10-8-15(9-11-18)12-13-21-14-17-6-3-5-16-4-1-2-7-19(16)17/h1-11,21H,12-14H2,(H2,20,22,23)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50082759
PNG
(CHEMBL3423268)
Show SMILES CN(C)c1ccc(CNCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H23N3O2S/c1-20(2)16-7-3-15(4-8-16)13-19-12-11-14-5-9-17(10-6-14)23(18,21)22/h3-10,19H,11-13H2,1-2H3,(H2,18,21,22)
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50589828
PNG
(CHEMBL5197745)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2csc3ccccc23)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50589823
PNG
(CHEMBL5199926)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2ccc(Br)cc2)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50589822
PNG
(CHEMBL5207894)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2ccc(Cl)cc2)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50589824
PNG
(CHEMBL5177103)
Show SMILES NS(=O)(=O)c1ccc(CCNCc2ccc(cc2)C#N)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50528166
PNG
(CHEMBL4519039)
Show SMILES NS(=O)(=O)c1ccc(O[P@@](=O)(OCC#C)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C15H14NO5PS/c1-2-12-20-22(17,14-6-4-3-5-7-14)21-13-8-10-15(11-9-13)23(16,18)19/h1,3-11H,12H2,(H2,16,18,19)/t22-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...


J Med Chem 63: 5185-5200 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02135
BindingDB Entry DOI: 10.7270/Q2W380S2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50528172
PNG
(CHEMBL4465406)
Show SMILES NS(=O)(=O)c1ccc(OP(=O)(N2CCCC2)c2ccccc2)cc1
Show InChI InChI=1S/C16H19N2O4PS/c17-24(20,21)16-10-8-14(9-11-16)22-23(19,18-12-4-5-13-18)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-13H2,(H2,17,20,21)
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1.70n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...


J Med Chem 63: 5185-5200 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02135
BindingDB Entry DOI: 10.7270/Q2W380S2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50528164
PNG
(CHEMBL4453128)
Show SMILES NS(=O)(=O)c1ccc(OP(=O)(Nc2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C18H17N2O4PS/c19-26(22,23)18-13-11-16(12-14-18)24-25(21,17-9-5-2-6-10-17)20-15-7-3-1-4-8-15/h1-14H,(H,20,21)(H2,19,22,23)
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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 recombinant carbonic anhydrase 2 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...


J Med Chem 63: 5185-5200 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02135
BindingDB Entry DOI: 10.7270/Q2W380S2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50589819
PNG
(CHEMBL5182563)
Show SMILES NS(=O)(=O)c1ccc(CCN(Cc2csc3ccccc23)C(=O)c2ccc(cc2)-c2cssc2=S)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K
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 recombinant carbonic anhydrase 7 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...


J Med Chem 63: 5185-5200 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02135
BindingDB Entry DOI: 10.7270/Q2W380S2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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TBA

Assay Description
Inhibition of recombinant human CA7 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113793
BindingDB Entry DOI: 10.7270/Q28S4TRB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50528177
PNG
(CHEMBL4449772)
Show SMILES NS(=O)(=O)c1ccc(OP(=O)(NCc2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C19H19N2O4PS/c20-27(23,24)19-13-11-17(12-14-19)25-26(22,18-9-5-2-6-10-18)21-15-16-7-3-1-4-8-16/h1-14H,15H2,(H,21,22)(H2,20,23,24)
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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 recombinant carbonic anhydrase 9 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...


J Med Chem 63: 5185-5200 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02135
BindingDB Entry DOI: 10.7270/Q2W380S2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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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2.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...


J Med Chem 62: 7233-7249 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00845
BindingDB Entry DOI: 10.7270/Q2D79FRD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50574145
PNG
(CHEMBL4849345)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6](-[#8])-[#6]-[#16]-c2ccccc2)cc1
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TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113793
BindingDB Entry DOI: 10.7270/Q28S4TRB
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50528162
PNG
(CHEMBL4476108)
Show SMILES CCCNP(=O)(Oc1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C15H19N2O4PS/c1-2-12-17-22(18,14-6-4-3-5-7-14)21-13-8-10-15(11-9-13)23(16,19)20/h3-11H,2,12H2,1H3,(H,17,18)(H2,16,19,20)
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3.20n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...


J Med Chem 63: 5185-5200 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02135
BindingDB Entry DOI: 10.7270/Q2W380S2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50528169
PNG
(CHEMBL4579472)
Show SMILES NS(=O)(=O)c1ccc(OP(=O)(Oc2ccc(cc2)S(N)(=O)=O)c2ccccc2)cc1
Show InChI InChI=1S/C18H17N2O7PS2/c19-29(22,23)17-10-6-14(7-11-17)26-28(21,16-4-2-1-3-5-16)27-15-8-12-18(13-9-15)30(20,24)25/h1-13H,(H2,19,22,23)(H2,20,24,25)
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3.20n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...


J Med Chem 63: 5185-5200 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02135
BindingDB Entry DOI: 10.7270/Q2W380S2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50574147
PNG
(CHEMBL4868581)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6](-[#8])-[#6]-[#16]-c2ncccn2)cc1
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3.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113793
BindingDB Entry DOI: 10.7270/Q28S4TRB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50528170
PNG
(CHEMBL4447288)
Show SMILES NS(=O)(=O)c1ccc(OP(=O)(OCC#C)c2ccccc2)cc1
Show InChI InChI=1S/C15H14NO5PS/c1-2-12-20-22(17,14-6-4-3-5-7-14)21-13-8-10-15(11-9-13)23(16,18)19/h1,3-11H,12H2,(H2,16,18,19)
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3.60n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...


J Med Chem 63: 5185-5200 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02135
BindingDB Entry DOI: 10.7270/Q2W380S2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50515303
PNG
(CHEMBL4435346)
Show SMILES NS(=O)(=O)c1ccc(OCCCCN(CC#C)CC#C)cc1
Show InChI InChI=1S/C16H20N2O3S/c1-3-11-18(12-4-2)13-5-6-14-21-15-7-9-16(10-8-15)22(17,19)20/h1-2,7-10H,5-6,11-14H2,(H2,17,19,20)
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3.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...


J Med Chem 62: 7233-7249 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00845
BindingDB Entry DOI: 10.7270/Q2D79FRD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50574150
PNG
(CHEMBL4848929)
Show SMILES [#6]-c1ccccc1[Se;v2][#6]-[#6](-[#8])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113793
BindingDB Entry DOI: 10.7270/Q28S4TRB
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50589814
PNG
(CHEMBL5172583)
Show SMILES COc1cc(ccc1CN(CCc1ccc(cc1)S(N)(=O)=O)C(=O)c1ccc(cc1)-c1cssc1=S)[N+]([O-])=O
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50574159
PNG
(CHEMBL4873126)
Show SMILES [#6]-[#6]-[#6]-[#6][Se;v2][#6]-[#6](-[#8])-[#6]-[#16]-c1ccc(cc1)S([#7])(=O)=O
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4.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113793
BindingDB Entry DOI: 10.7270/Q28S4TRB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50574158
PNG
(CHEMBL4854921)
Show SMILES [#6]-[#8]-c1ccc([Se;v2][#6]-[#6](-[#8])-[#6]-[#16]-c2ccc(cc2)S([#7])(=O)=O)cc1
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4.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113793
BindingDB Entry DOI: 10.7270/Q28S4TRB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50574151
PNG
(CHEMBL4874519)
Show SMILES [#6]-[#6]-[#6]-[#6][Se;v2][#6]-[#6](-[#8])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O
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4.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113793
BindingDB Entry DOI: 10.7270/Q28S4TRB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50574149
PNG
(CHEMBL4875348)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6](-[#8])-[#6][Se;v2]c2ccccc2)cc1
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5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113793
BindingDB Entry DOI: 10.7270/Q28S4TRB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50574152
PNG
(CHEMBL4860297)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6](-[#8])-[#6][Se;v2][#6]-[#6](-[#8])-[#6]-[#8]-[#6]-[#6]=[#6])cc1
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5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113793
BindingDB Entry DOI: 10.7270/Q28S4TRB
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50528164
PNG
(CHEMBL4453128)
Show SMILES NS(=O)(=O)c1ccc(OP(=O)(Nc2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C18H17N2O4PS/c19-26(22,23)18-13-11-16(12-14-18)24-25(21,17-9-5-2-6-10-17)20-15-7-3-1-4-8-15/h1-14H,(H,20,21)(H2,19,22,23)
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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 recombinant carbonic anhydrase 7 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...


J Med Chem 63: 5185-5200 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02135
BindingDB Entry DOI: 10.7270/Q2W380S2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50574151
PNG
(CHEMBL4874519)
Show SMILES [#6]-[#6]-[#6]-[#6][Se;v2][#6]-[#6](-[#8])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O
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5.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113793
BindingDB Entry DOI: 10.7270/Q28S4TRB
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


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



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydrati...


J Med Chem 63: 5185-5200 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02135
BindingDB Entry DOI: 10.7270/Q2W380S2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-...


J Med Chem 62: 7233-7249 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00845
BindingDB Entry DOI: 10.7270/Q2D79FRD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50515301
PNG
(CHEMBL4566851)
Show SMILES NS(=O)(=O)c1ccc(CCN(CC#C)CC#C)cc1
Show InChI InChI=1S/C14H16N2O2S/c1-3-10-16(11-4-2)12-9-13-5-7-14(8-6-13)19(15,17)18/h1-2,5-8H,9-12H2,(H2,15,17,18)
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5.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing measured for 10 to 100 secs by phenol red-based stopped-f...


J Med Chem 62: 7233-7249 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00845
BindingDB Entry DOI: 10.7270/Q2D79FRD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50574159
PNG
(CHEMBL4873126)
Show SMILES [#6]-[#6]-[#6]-[#6][Se;v2][#6]-[#6](-[#8])-[#6]-[#16]-c1ccc(cc1)S([#7])(=O)=O
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6.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA1 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113793
BindingDB Entry DOI: 10.7270/Q28S4TRB
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50528167
PNG
(CHEMBL4446462)
Show SMILES CC(C)OP(=O)(Oc1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C15H18NO5PS/c1-12(2)20-22(17,14-6-4-3-5-7-14)21-13-8-10-15(11-9-13)23(16,18)19/h3-12H,1-2H3,(H2,16,18,19)
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6.20n/an/an/an/an/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...


J Med Chem 63: 5185-5200 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02135
BindingDB Entry DOI: 10.7270/Q2W380S2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50574157
PNG
(CHEMBL4855451)
Show SMILES [#7]S(=O)(=O)c1ccc(-[#16]-[#6]-[#6](-[#8])-[#6][Se;v2]c2ccccc2)cc1
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TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113793
BindingDB Entry DOI: 10.7270/Q28S4TRB
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50574151
PNG
(CHEMBL4874519)
Show SMILES [#6]-[#6]-[#6]-[#6][Se;v2][#6]-[#6](-[#8])-[#6][Se;v2]c1ccc(cc1)S([#7])(=O)=O
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6.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA4 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113793
BindingDB Entry DOI: 10.7270/Q28S4TRB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50574146
PNG
(CHEMBL4852309)
Show SMILES [#7]S(=O)(=O)c1ccc([Se;v2][#6]-[#6](-[#8])-[#6]-[#16]-c2ccc(Br)cc2)cc1
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6.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113793
BindingDB Entry DOI: 10.7270/Q28S4TRB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50574156
PNG
(CHEMBL4854070)
Show SMILES C[C@@H](CSCC(O)CSc1ccc(cc1)S(N)(=O)=O)NS(=O)(=O)c1ccc(C)cc1 |r|
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6.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113793
BindingDB Entry DOI: 10.7270/Q28S4TRB
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50528160
PNG
(CHEMBL4537722)
Show SMILES NS(=O)(=O)c1ccc(OP(=O)(Sc2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C18H16NO4PS2/c19-26(21,22)18-13-11-15(12-14-18)23-24(20,16-7-3-1-4-8-16)25-17-9-5-2-6-10-17/h1-14H,(H2,19,21,22)
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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 recombinant carbonic anhydrase 9 preincubated with enzyme for 1 hr prior to testing by phenol red-based stopped-flow CO2 hydratio...


J Med Chem 63: 5185-5200 (2020)


Article DOI: 10.1021/acs.jmedchem.9b02135
BindingDB Entry DOI: 10.7270/Q2W380S2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50574154
PNG
(CHEMBL4861154)
Show SMILES NS(=O)(=O)c1ccc(SCC(O)CSc2ccccc2Br)cc1
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
6.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human CA2 pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113793
BindingDB Entry DOI: 10.7270/Q28S4TRB
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50589818
PNG
(CHEMBL5182919)
Show SMILES NS(=O)(=O)c1ccc(CCN(Cc2cccc3ccccc23)C(=O)c2ccc(cc2)-c2cssc2=S)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00982
BindingDB Entry DOI: 10.7270/Q2DN491K
More data for this
Ligand-Target Pair
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