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PubMed code 27939347

Compile data set for download or QSAR
Found 52 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


(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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PubMed
5.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207542
PNG
(CHEMBL3986431)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C24H15F3N2O4/c25-24(26,27)18-13-21(30)33-20-12-15(10-11-16(18)20)28-23(32)17-8-4-5-9-19(17)29-22(31)14-6-2-1-3-7-14/h1-13H,(H,28,32)(H,29,31)
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6.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207549
PNG
(CHEMBL3928695)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C24H18N2O4/c1-15-13-22(27)30-21-14-17(11-12-18(15)21)25-24(29)19-9-5-6-10-20(19)26-23(28)16-7-3-2-4-8-16/h2-14H,1H3,(H,25,29)(H,26,28)
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8.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207548
PNG
(CHEMBL3977549)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C24H17ClN2O4/c1-14-12-22(28)31-21-13-17(10-11-18(14)21)26-24(30)19-4-2-3-5-20(19)27-23(29)15-6-8-16(25)9-7-15/h2-13H,1H3,(H,26,30)(H,27,29)
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8.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207543
PNG
(CHEMBL3956977)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C24H17FN2O4/c1-14-12-22(28)31-21-13-17(10-11-18(14)21)26-24(30)19-4-2-3-5-20(19)27-23(29)15-6-8-16(25)9-7-15/h2-13H,1H3,(H,26,30)(H,27,29)
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207540
PNG
(CHEMBL3896854)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F
Show InChI InChI=1S/C24H14F4N2O4/c25-14-7-5-13(6-8-14)22(32)30-19-4-2-1-3-17(19)23(33)29-15-9-10-16-18(24(26,27)28)12-21(31)34-20(16)11-15/h1-12H,(H,29,33)(H,30,32)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50207542
PNG
(CHEMBL3986431)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C24H15F3N2O4/c25-24(26,27)18-13-21(30)33-20-12-15(10-11-16(18)20)28-23(32)17-8-4-5-9-19(17)29-22(31)14-6-2-1-3-7-14/h1-13H,(H,28,32)(H,29,31)
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207547
PNG
(CHEMBL3960492)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C24H14ClF3N2O4/c25-14-7-5-13(6-8-14)22(32)30-19-4-2-1-3-17(19)23(33)29-15-9-10-16-18(24(26,27)28)12-21(31)34-20(16)11-15/h1-12H,(H,29,33)(H,30,32)
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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 recombinant carbonic anhydrase-12 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
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 recombinant carbonic anhydrase-2 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50207543
PNG
(CHEMBL3956977)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C24H17FN2O4/c1-14-12-22(28)31-21-13-17(10-11-18(14)21)26-24(30)19-4-2-3-5-20(19)27-23(29)15-6-8-16(25)9-7-15/h2-13H,1H3,(H,26,30)(H,27,29)
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50207548
PNG
(CHEMBL3977549)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C24H17ClN2O4/c1-14-12-22(28)31-21-13-17(10-11-18(14)21)26-24(30)19-4-2-3-5-20(19)27-23(29)15-6-8-16(25)9-7-15/h2-13H,1H3,(H,26,30)(H,27,29)
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18n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50207540
PNG
(CHEMBL3896854)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F
Show InChI InChI=1S/C24H14F4N2O4/c25-14-7-5-13(6-8-14)22(32)30-19-4-2-1-3-17(19)23(33)29-15-9-10-16-18(24(26,27)28)12-21(31)34-20(16)11-15/h1-12H,(H,29,33)(H,30,32)
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20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50207549
PNG
(CHEMBL3928695)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C24H18N2O4/c1-15-13-22(27)30-21-14-17(11-12-18(15)21)25-24(29)19-9-5-6-10-20(19)26-23(28)16-7-3-2-4-8-16/h2-14H,1H3,(H,25,29)(H,26,28)
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22n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50207547
PNG
(CHEMBL3960492)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C24H14ClF3N2O4/c25-14-7-5-13(6-8-14)22(32)30-19-4-2-1-3-17(19)23(33)29-15-9-10-16-18(24(26,27)28)12-21(31)34-20(16)11-15/h1-12H,(H,29,33)(H,30,32)
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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 recombinant carbonic anhydrase-9 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
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 recombinant carbonic anhydrase-9 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207539
PNG
(CHEMBL3976024)
Show SMILES O=C1Nc2ccccc2S(=O)(=O)N1
Show InChI InChI=1S/C7H6N2O3S/c10-7-8-5-3-1-2-4-6(5)13(11,12)9-7/h1-4H,(H2,8,9,10)
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56n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207544
PNG
(CHEMBL3984047)
Show SMILES O=S1(=O)NC=Nc2ccccc12
Show InChI InChI=1S/C7H6N2O2S/c10-12(11)7-4-2-1-3-6(7)8-5-9-12/h1-5H,(H,8,9)
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76n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50207539
PNG
(CHEMBL3976024)
Show SMILES O=C1Nc2ccccc2S(=O)(=O)N1
Show InChI InChI=1S/C7H6N2O3S/c10-7-8-5-3-1-2-4-6(5)13(11,12)9-7/h1-4H,(H2,8,9,10)
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87n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50207544
PNG
(CHEMBL3984047)
Show SMILES O=S1(=O)NC=Nc2ccccc12
Show InChI InChI=1S/C7H6N2O2S/c10-12(11)7-4-2-1-3-6(7)8-5-9-12/h1-5H,(H,8,9)
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116n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50207539
PNG
(CHEMBL3976024)
Show SMILES O=C1Nc2ccccc2S(=O)(=O)N1
Show InChI InChI=1S/C7H6N2O3S/c10-7-8-5-3-1-2-4-6(5)13(11,12)9-7/h1-4H,(H2,8,9,10)
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127n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207541
PNG
(CHEMBL1993421)
Show SMILES CC1=Nc2ccccc2S(=O)(=O)N1
Show InChI InChI=1S/C8H8N2O2S/c1-6-9-7-4-2-3-5-8(7)13(11,12)10-6/h2-5H,1H3,(H,9,10)
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135n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


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



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50207541
PNG
(CHEMBL1993421)
Show SMILES CC1=Nc2ccccc2S(=O)(=O)N1
Show InChI InChI=1S/C8H8N2O2S/c1-6-9-7-4-2-3-5-8(7)13(11,12)10-6/h2-5H,1H3,(H,9,10)
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349n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50207544
PNG
(CHEMBL3984047)
Show SMILES O=S1(=O)NC=Nc2ccccc12
Show InChI InChI=1S/C7H6N2O2S/c10-12(11)7-4-2-1-3-6(7)8-5-9-12/h1-5H,(H,8,9)
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378n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50207541
PNG
(CHEMBL1993421)
Show SMILES CC1=Nc2ccccc2S(=O)(=O)N1
Show InChI InChI=1S/C8H8N2O2S/c1-6-9-7-4-2-3-5-8(7)13(11,12)10-6/h2-5H,1H3,(H,9,10)
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642n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207539
PNG
(CHEMBL3976024)
Show SMILES O=C1Nc2ccccc2S(=O)(=O)N1
Show InChI InChI=1S/C7H6N2O3S/c10-7-8-5-3-1-2-4-6(5)13(11,12)9-7/h1-4H,(H2,8,9,10)
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783n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207545
PNG
(CHEMBL3914224)
Show SMILES [O-][N+](=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
Show InChI InChI=1S/C8H5N3O4/c12-7-5-3-4(11(14)15)1-2-6(5)9-8(13)10-7/h1-3H,(H2,9,10,12,13)
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2.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50207545
PNG
(CHEMBL3914224)
Show SMILES [O-][N+](=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
Show InChI InChI=1S/C8H5N3O4/c12-7-5-3-4(11(14)15)1-2-6(5)9-8(13)10-7/h1-3H,(H2,9,10,12,13)
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5.47E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50106196
PNG
((1H )-Quinazolin-2,4-dione | 1H-Quinazoline-2,4-di...)
Show SMILES O=c1[nH]c2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
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8.65E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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1.05E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-12 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207544
PNG
(CHEMBL3984047)
Show SMILES O=S1(=O)NC=Nc2ccccc12
Show InChI InChI=1S/C7H6N2O2S/c10-12(11)7-4-2-1-3-6(7)8-5-9-12/h1-5H,(H,8,9)
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1.26E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50106196
PNG
((1H )-Quinazolin-2,4-dione | 1H-Quinazoline-2,4-di...)
Show SMILES O=c1[nH]c2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
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1.37E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207541
PNG
(CHEMBL1993421)
Show SMILES CC1=Nc2ccccc2S(=O)(=O)N1
Show InChI InChI=1S/C8H8N2O2S/c1-6-9-7-4-2-3-5-8(7)13(11,12)10-6/h2-5H,1H3,(H,9,10)
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1.38E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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1.57E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-9 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207549
PNG
(CHEMBL3928695)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C24H18N2O4/c1-15-13-22(27)30-21-14-17(11-12-18(15)21)25-24(29)19-9-5-6-10-20(19)26-23(28)16-7-3-2-4-8-16/h2-14H,1H3,(H,25,29)(H,26,28)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50106196
PNG
((1H )-Quinazolin-2,4-dione | 1H-Quinazoline-2,4-di...)
Show SMILES O=c1[nH]c2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50207547
PNG
(CHEMBL3960492)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C24H14ClF3N2O4/c25-14-7-5-13(6-8-14)22(32)30-19-4-2-1-3-17(19)23(33)29-15-9-10-16-18(24(26,27)28)12-21(31)34-20(16)11-15/h1-12H,(H,29,33)(H,30,32)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207548
PNG
(CHEMBL3977549)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C24H17ClN2O4/c1-14-12-22(28)31-21-13-17(10-11-18(14)21)26-24(30)19-4-2-3-5-20(19)27-23(29)15-6-8-16(25)9-7-15/h2-13H,1H3,(H,26,30)(H,27,29)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207545
PNG
(CHEMBL3914224)
Show SMILES [O-][N+](=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
Show InChI InChI=1S/C8H5N3O4/c12-7-5-3-4(11(14)15)1-2-6(5)9-8(13)10-7/h1-3H,(H2,9,10,12,13)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50207542
PNG
(CHEMBL3986431)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C24H15F3N2O4/c25-24(26,27)18-13-21(30)33-20-12-15(10-11-16(18)20)28-23(32)17-8-4-5-9-19(17)29-22(31)14-6-2-1-3-7-14/h1-13H,(H,28,32)(H,29,31)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207542
PNG
(CHEMBL3986431)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C24H15F3N2O4/c25-24(26,27)18-13-21(30)33-20-12-15(10-11-16(18)20)28-23(32)17-8-4-5-9-19(17)29-22(31)14-6-2-1-3-7-14/h1-13H,(H,28,32)(H,29,31)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207547
PNG
(CHEMBL3960492)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C24H14ClF3N2O4/c25-14-7-5-13(6-8-14)22(32)30-19-4-2-1-3-17(19)23(33)29-15-9-10-16-18(24(26,27)28)12-21(31)34-20(16)11-15/h1-12H,(H,29,33)(H,30,32)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50106196
PNG
((1H )-Quinazolin-2,4-dione | 1H-Quinazoline-2,4-di...)
Show SMILES O=c1[nH]c2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50207543
PNG
(CHEMBL3956977)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C24H17FN2O4/c1-14-12-22(28)31-21-13-17(10-11-18(14)21)26-24(30)19-4-2-3-5-20(19)27-23(29)15-6-8-16(25)9-7-15/h2-13H,1H3,(H,26,30)(H,27,29)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50207545
PNG
(CHEMBL3914224)
Show SMILES [O-][N+](=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
Show InChI InChI=1S/C8H5N3O4/c12-7-5-3-4(11(14)15)1-2-6(5)9-8(13)10-7/h1-3H,(H2,9,10,12,13)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50207540
PNG
(CHEMBL3896854)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F
Show InChI InChI=1S/C24H14F4N2O4/c25-14-7-5-13(6-8-14)22(32)30-19-4-2-1-3-17(19)23(33)29-15-9-10-16-18(24(26,27)28)12-21(31)34-20(16)11-15/h1-12H,(H,29,33)(H,30,32)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50207548
PNG
(CHEMBL3977549)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)ccc12
Show InChI InChI=1S/C24H17ClN2O4/c1-14-12-22(28)31-21-13-17(10-11-18(14)21)26-24(30)19-4-2-3-5-20(19)27-23(29)15-6-8-16(25)9-7-15/h2-13H,1H3,(H,26,30)(H,27,29)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50207549
PNG
(CHEMBL3928695)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)ccc12
Show InChI InChI=1S/C24H18N2O4/c1-15-13-22(27)30-21-14-17(11-12-18(15)21)25-24(29)19-9-5-6-10-20(19)26-23(28)16-7-3-2-4-8-16/h2-14H,1H3,(H,25,29)(H,26,28)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207540
PNG
(CHEMBL3896854)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F
Show InChI InChI=1S/C24H14F4N2O4/c25-14-7-5-13(6-8-14)22(32)30-19-4-2-1-3-17(19)23(33)29-15-9-10-16-18(24(26,27)28)12-21(31)34-20(16)11-15/h1-12H,(H,29,33)(H,30,32)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50207543
PNG
(CHEMBL3956977)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(F)cc3)ccc12
Show InChI InChI=1S/C24H17FN2O4/c1-14-12-22(28)31-21-13-17(10-11-18(14)21)26-24(30)19-4-2-3-5-20(19)27-23(29)15-6-8-16(25)9-7-15/h2-13H,1H3,(H,26,30)(H,27,29)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-1 preincubated for 6 hrs by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
BindingDB Entry DOI: 10.7270/Q2N29ZZR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%