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Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'al-kahtani' and Initial = 'aa'   
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))
BDBM50147758
PNG
(CHEMBL3765745)
Show SMILES Cc1ccc2nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C15H13N3O3S2/c1-9-2-7-13-12(8-9)14(19)18(15(22)17-13)10-3-5-11(6-4-10)23(16,20)21/h2-8H,1H3,(H,17,22)(H2,16,20,21)
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0.25n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147751
PNG
(CHEMBL3763168)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2c(Cl)cccc2c1=O
Show InChI InChI=1S/C14H10ClN3O3S2/c15-11-3-1-2-10-12(11)17-14(22)18(13(10)19)8-4-6-9(7-5-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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0.310n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147752
PNG
(CHEMBL3763877)
Show SMILES COc1cc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c(OC)c1OC
Show InChI InChI=1S/C17H17N3O6S2/c1-24-12-8-11-13(15(26-3)14(12)25-2)19-17(27)20(16(11)21)9-4-6-10(7-5-9)28(18,22)23/h4-8H,1-3H3,(H,19,27)(H2,18,22,23)
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0.350n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50190142
PNG
(CHEMBL3828241)
Show SMILES COc1ccc2c(c1)nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-14-15(10-12)19-17(25)20(16(14)21)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23)
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0.470n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50190143
PNG
(CHEMBL3827651)
Show SMILES COc1ccc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-15-14(10-12)16(21)20(17(25)19-15)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23)
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0.540n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50190147
PNG
(CHEMBL3828207)
Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(Cl)cc3c2=O)cc1
Show InChI InChI=1S/C16H14ClN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23)
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0.540n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50190134
PNG
(CHEMBL1433252)
Show SMILES NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccccc3c2=O)cc1
Show InChI InChI=1S/C16H15N3O3S2/c17-24(21,22)12-7-5-11(6-8-12)9-10-19-15(20)13-3-1-2-4-14(13)18-16(19)23/h1-8H,9-10H2,(H,18,23)(H2,17,21,22)
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0.590n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147752
PNG
(CHEMBL3763877)
Show SMILES COc1cc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c(OC)c1OC
Show InChI InChI=1S/C17H17N3O6S2/c1-24-12-8-11-13(15(26-3)14(12)25-2)19-17(27)20(16(11)21)9-4-6-10(7-5-9)28(18,22)23/h4-8H,1-3H3,(H,19,27)(H2,18,22,23)
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0.600n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147759
PNG
(CHEMBL3765657)
Show SMILES Cc1cccc2c1nc(S)n(-c1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C15H13N3O3S2/c1-9-3-2-4-12-13(9)17-15(22)18(14(12)19)10-5-7-11(8-6-10)23(16,20)21/h2-8H,1H3,(H,17,22)(H2,16,20,21)
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0.600n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147753
PNG
(CHEMBL3765532)
Show SMILES COc1ccc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c1OC
Show InChI InChI=1S/C16H15N3O5S2/c1-23-12-8-7-11-13(14(12)24-2)18-16(25)19(15(11)20)9-3-5-10(6-4-9)26(17,21)22/h3-8H,1-2H3,(H,18,25)(H2,17,21,22)
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0.610n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50190139
PNG
(CHEMBL3828646)
Show SMILES Cc1cccc2c1nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C17H17N3O3S2/c1-11-3-2-4-14-15(11)19-17(24)20(16(14)21)10-9-12-5-7-13(8-6-12)25(18,22)23/h2-8H,9-10H2,1H3,(H,19,24)(H2,18,22,23)
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0.610n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50190133
PNG
(CHEMBL1383680)
Show SMILES NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(F)cc3c2=O)cc1
Show InChI InChI=1S/C16H14FN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23)
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0.620n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50190134
PNG
(CHEMBL1433252)
Show SMILES NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccccc3c2=O)cc1
Show InChI InChI=1S/C16H15N3O3S2/c17-24(21,22)12-7-5-11(6-8-12)9-10-19-15(20)13-3-1-2-4-14(13)18-16(19)23/h1-8H,9-10H2,(H,18,23)(H2,17,21,22)
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0.620n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50190141
PNG
(CHEMBL3828667)
Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3cc(F)ccc3c2=O)cc1
Show InChI InChI=1S/C16H14FN3O3S2/c17-11-3-6-13-14(9-11)19-16(24)20(15(13)21)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23)
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0.640n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50190136
PNG
(CHEMBL3827113)
Show SMILES COc1cc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2cc1OC
Show InChI InChI=1S/C18H19N3O5S2/c1-25-15-9-13-14(10-16(15)26-2)20-18(27)21(17(13)22)8-7-11-3-5-12(6-4-11)28(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,27)(H2,19,23,24)
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0.650n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50190146
PNG
(CHEMBL3828598)
Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3c(Cl)cccc3c2=O)cc1
Show InChI InChI=1S/C16H14ClN3O3S2/c17-13-3-1-2-12-14(13)19-16(24)20(15(12)21)9-8-10-4-6-11(7-5-10)25(18,22)23/h1-7H,8-9H2,(H,19,24)(H2,18,22,23)
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0.660n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147753
PNG
(CHEMBL3765532)
Show SMILES COc1ccc2c(nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c2=O)c1OC
Show InChI InChI=1S/C16H15N3O5S2/c1-23-12-8-7-11-13(14(12)24-2)18-16(25)19(15(11)20)9-3-5-10(6-4-9)26(17,21)22/h3-8H,1-2H3,(H,18,25)(H2,17,21,22)
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0.670n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50190142
PNG
(CHEMBL3828241)
Show SMILES COc1ccc2c(c1)nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-14-15(10-12)19-17(25)20(16(14)21)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23)
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0.690n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50190144
PNG
(CHEMBL3828520)
Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(I)cc3c2=O)cc1
Show InChI InChI=1S/C16H14IN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23)
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0.710n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50190138
PNG
(CHEMBL3828605)
Show SMILES Cc1cc(C)c2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C18H19N3O3S2/c1-11-9-12(2)16-15(10-11)17(22)21(18(25)20-16)8-7-13-3-5-14(6-4-13)26(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,25)(H2,19,23,24)
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0.730n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50190144
PNG
(CHEMBL3828520)
Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(I)cc3c2=O)cc1
Show InChI InChI=1S/C16H14IN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23)
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0.760n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50190146
PNG
(CHEMBL3828598)
Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3c(Cl)cccc3c2=O)cc1
Show InChI InChI=1S/C16H14ClN3O3S2/c17-13-3-1-2-12-14(13)19-16(24)20(15(12)21)9-8-10-4-6-11(7-5-10)25(18,22)23/h1-7H,8-9H2,(H,19,24)(H2,18,22,23)
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0.780n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50190138
PNG
(CHEMBL3828605)
Show SMILES Cc1cc(C)c2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C18H19N3O3S2/c1-11-9-12(2)16-15(10-11)17(22)21(18(25)20-16)8-7-13-3-5-14(6-4-13)26(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,25)(H2,19,23,24)
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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 human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50190145
PNG
(CHEMBL3828641)
Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3cc(Br)ccc3c2=O)cc1
Show InChI InChI=1S/C16H14BrN3O3S2/c17-11-3-6-13-14(9-11)19-16(24)20(15(13)21)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23)
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0.910n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50190143
PNG
(CHEMBL3827651)
Show SMILES COc1ccc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-15-14(10-12)16(21)20(17(25)19-15)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23)
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1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50190136
PNG
(CHEMBL3827113)
Show SMILES COc1cc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2cc1OC
Show InChI InChI=1S/C18H19N3O5S2/c1-25-15-9-13-14(10-16(15)26-2)20-18(27)21(17(13)22)8-7-11-3-5-12(6-4-11)28(19,23)24/h3-6,9-10H,7-8H2,1-2H3,(H,20,27)(H2,19,23,24)
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1.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50190139
PNG
(CHEMBL3828646)
Show SMILES Cc1cccc2c1nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C17H17N3O3S2/c1-11-3-2-4-14-15(11)19-17(24)20(16(14)21)10-9-12-5-7-13(8-6-12)25(18,22)23/h2-8H,9-10H2,1H3,(H,19,24)(H2,18,22,23)
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1.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147764
PNG
(CHEMBL3764181)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2cc(Br)ccc2c1=O
Show InChI InChI=1S/C14H10BrN3O3S2/c15-8-1-6-11-12(7-8)17-14(22)18(13(11)19)9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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1.30n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50190145
PNG
(CHEMBL3828641)
Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3cc(Br)ccc3c2=O)cc1
Show InChI InChI=1S/C16H14BrN3O3S2/c17-11-3-6-13-14(9-11)19-16(24)20(15(13)21)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23)
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1.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147754
PNG
(CHEMBL3764087)
Show SMILES COc1ccc2nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C15H13N3O4S2/c1-22-10-4-7-13-12(8-10)14(19)18(15(23)17-13)9-2-5-11(6-3-9)24(16,20)21/h2-8H,1H3,(H,17,23)(H2,16,20,21)
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1.5n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147761
PNG
(CHEMBL3765739)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2c(F)cccc2c1=O
Show InChI InChI=1S/C14H10FN3O3S2/c15-11-3-1-2-10-12(11)17-14(22)18(13(10)19)8-4-6-9(7-5-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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2.20n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147734
PNG
(CHEMBL3763880)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C14H10ClN3O3S2/c15-8-1-6-12-11(7-8)13(19)18(14(22)17-12)9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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2.70n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50147754
PNG
(CHEMBL3764087)
Show SMILES COc1ccc2nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C15H13N3O4S2/c1-22-10-4-7-13-12(8-10)14(19)18(15(23)17-13)9-2-5-11(6-3-9)24(16,20)21/h2-8H,1H3,(H,17,23)(H2,16,20,21)
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3.70n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147763
PNG
(CHEMBL3765404)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2ccc(Br)cc2c1=O
Show InChI InChI=1S/C14H10BrN3O3S2/c15-8-1-6-12-11(7-8)13(19)18(14(22)17-12)9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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4.60n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50147765
PNG
(CHEMBL3765244)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2c(Br)cccc2c1=O
Show InChI InChI=1S/C14H10BrN3O3S2/c15-11-3-1-2-10-12(11)17-14(22)18(13(10)19)8-4-6-9(7-5-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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4.70n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50147760
PNG
(CHEMBL3763607)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2cc(F)ccc2c1=O
Show InChI InChI=1S/C14H10FN3O3S2/c15-8-1-6-11-12(7-8)17-14(22)18(13(11)19)9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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5.10n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50147756
PNG
(CHEMBL3763255)
Show SMILES COc1cccc2c1nc(S)n(-c1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C15H13N3O4S2/c1-22-12-4-2-3-11-13(12)17-15(23)18(14(11)19)9-5-7-10(8-6-9)24(16,20)21/h2-8H,1H3,(H,17,23)(H2,16,20,21)
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5.10n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147760
PNG
(CHEMBL3763607)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2cc(F)ccc2c1=O
Show InChI InChI=1S/C14H10FN3O3S2/c15-8-1-6-11-12(7-8)17-14(22)18(13(11)19)9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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5.20n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147758
PNG
(CHEMBL3765745)
Show SMILES Cc1ccc2nc(S)n(-c3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C15H13N3O3S2/c1-9-2-7-13-12(8-9)14(19)18(15(22)17-13)10-3-5-11(6-4-10)23(16,20)21/h2-8H,1H3,(H,17,22)(H2,16,20,21)
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5.20n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147736
PNG
(CHEMBL3763861)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C14H10ClN3O3S2/c15-8-1-6-11-12(7-8)17-14(22)18(13(11)19)9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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5.20n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147751
PNG
(CHEMBL3763168)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2c(Cl)cccc2c1=O
Show InChI InChI=1S/C14H10ClN3O3S2/c15-11-3-1-2-10-12(11)17-14(22)18(13(10)19)8-4-6-9(7-5-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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5.5n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50147762
PNG
(CHEMBL3765033)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2c(I)cccc2c1=O
Show InChI InChI=1S/C14H10IN3O3S2/c15-11-3-1-2-10-12(11)17-14(22)18(13(10)19)8-4-6-9(7-5-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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5.5n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50190140
PNG
(CHEMBL3827381)
Show SMILES Cc1ccc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1
Show InChI InChI=1S/C17H17N3O3S2/c1-11-2-7-15-14(10-11)16(21)20(17(24)19-15)9-8-12-3-5-13(6-4-12)25(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,24)(H2,18,22,23)
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5.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
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



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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5.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50190135
PNG
(CHEMBL3828573)
Show SMILES COc1cccc2c1nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C17H17N3O4S2/c1-24-14-4-2-3-13-15(14)19-17(25)20(16(13)21)10-9-11-5-7-12(8-6-11)26(18,22)23/h2-8H,9-10H2,1H3,(H,19,25)(H2,18,22,23)
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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 human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147765
PNG
(CHEMBL3765244)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2c(Br)cccc2c1=O
Show InChI InChI=1S/C14H10BrN3O3S2/c15-11-3-1-2-10-12(11)17-14(22)18(13(10)19)8-4-6-9(7-5-8)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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5.80n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147759
PNG
(CHEMBL3765657)
Show SMILES Cc1cccc2c1nc(S)n(-c1ccc(cc1)S(N)(=O)=O)c2=O
Show InChI InChI=1S/C15H13N3O3S2/c1-9-3-2-4-12-13(9)17-15(22)18(14(12)19)10-5-7-11(8-6-10)23(16,20)21/h2-8H,1H3,(H,17,22)(H2,16,20,21)
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5.90n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50190147
PNG
(CHEMBL3828207)
Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(Cl)cc3c2=O)cc1
Show InChI InChI=1S/C16H14ClN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23)
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6.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 4100-4107 (2016)


Article DOI: 10.1016/j.bmc.2016.06.052
BindingDB Entry DOI: 10.7270/Q2FJ2JPH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50147760
PNG
(CHEMBL3763607)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1c(S)nc2cc(F)ccc2c1=O
Show InChI InChI=1S/C14H10FN3O3S2/c15-8-1-6-11-12(7-8)17-14(22)18(13(11)19)9-2-4-10(5-3-9)23(16,20)21/h1-7H,(H,17,22)(H2,16,20,21)
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6.80n/an/an/an/an/an/an/an/a



DAIS

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 24: 1402-7 (2016)


Article DOI: 10.1016/j.bmc.2016.02.011
BindingDB Entry DOI: 10.7270/Q27H1MG2
More data for this
Ligand-Target Pair
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