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Compile Data Set for Download or QSAR

Found 292 hits with Last Name = 'alafeefy' and Initial = 'am'   
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 9


(Homo sapiens (human))
BDBM50428850
PNG
(CHEMBL2337539)
Show SMILES CC(=O)C1=NN(\C(S1)=C(/C#N)C(=O)Nc1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C19H15N5O4S2/c1-12(25)18-23-24(14-5-3-2-4-6-14)19(29-18)16(11-20)17(26)22-13-7-9-15(10-8-13)30(21,27)28/h2-10H,1H3,(H,22,26)(H2,21,27,28)/b19-16-
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0.330n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
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 12


(Homo sapiens (human))
BDBM50428841
PNG
(CHEMBL2337134)
Show SMILES COc1cc(OC)c(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(OC)c1
Show InChI InChI=1S/C19H19N3O6S/c1-26-14-9-17(27-2)16(18(10-14)28-3)8-12(11-20)19(23)22-13-4-6-15(7-5-13)29(21,24)25/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)/b12-8+
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0.530n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
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 12


(Homo sapiens (human))
BDBM50428844
PNG
(CHEMBL2337544)
Show SMILES COc1ccc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H15N3O4S/c1-24-15-6-2-12(3-7-15)10-13(11-18)17(21)20-14-4-8-16(9-5-14)25(19,22)23/h2-10H,1H3,(H,20,21)(H2,19,22,23)/b13-10+
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0.570n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50428843
PNG
(CHEMBL2337132)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc(OC)c1OC
Show InChI InChI=1S/C19H19N3O6S/c1-26-16-9-12(10-17(27-2)18(16)28-3)8-13(11-20)19(23)22-14-4-6-15(7-5-14)29(21,24)25/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)/b13-8+
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0.590n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
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 12


(Homo sapiens (human))
BDBM50428845
PNG
(CHEMBL1594453)
Show SMILES COc1ccccc1\C=C(/C#N)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H15N3O4S/c1-24-16-5-3-2-4-12(16)10-13(11-18)17(21)20-14-6-8-15(9-7-14)25(19,22)23/h2-10H,1H3,(H,20,21)(H2,19,22,23)/b13-10+
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0.600n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
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 12


(Homo sapiens (human))
BDBM50428850
PNG
(CHEMBL2337539)
Show SMILES CC(=O)C1=NN(\C(S1)=C(/C#N)C(=O)Nc1ccc(cc1)S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C19H15N5O4S2/c1-12(25)18-23-24(14-5-3-2-4-6-14)19(29-18)16(11-20)17(26)22-13-7-9-15(10-8-13)30(21,27)28/h2-10H,1H3,(H,22,26)(H2,21,27,28)/b19-16-
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0.640n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50428838
PNG
(CHEMBL2337530)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(O)c(O)c2)\C#N)cc1
Show InChI InChI=1S/C16H13N3O5S/c17-9-11(7-10-1-6-14(20)15(21)8-10)16(22)19-12-2-4-13(5-3-12)25(18,23)24/h1-8,20-21H,(H,19,22)(H2,18,23,24)/b11-7+
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0.650n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
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))
BDBM50428837
PNG
(CHEMBL2337531)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(O)cc2)\C#N)cc1
Show InChI InChI=1S/C16H13N3O4S/c17-10-12(9-11-1-5-14(20)6-2-11)16(21)19-13-3-7-15(8-4-13)24(18,22)23/h1-9,20H,(H,19,21)(H2,18,22,23)/b12-9+
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0.650n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50428846
PNG
(CHEMBL2337543)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(cc2)[N+]([O-])=O)\C#N)cc1
Show InChI InChI=1S/C16H12N4O5S/c17-10-12(9-11-1-5-14(6-2-11)20(22)23)16(21)19-13-3-7-15(8-4-13)26(18,24)25/h1-9H,(H,19,21)(H2,18,24,25)/b12-9+
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0.660n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
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 12


(Homo sapiens (human))
BDBM50428842
PNG
(CHEMBL2337133)
Show SMILES COc1cc(OC)c(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC
Show InChI InChI=1S/C19H19N3O6S/c1-26-16-10-18(28-3)17(27-2)9-12(16)8-13(11-20)19(23)22-14-4-6-15(7-5-14)29(21,24)25/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)/b13-8+
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0.670n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50428837
PNG
(CHEMBL2337531)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(O)cc2)\C#N)cc1
Show InChI InChI=1S/C16H13N3O4S/c17-10-12(9-11-1-5-14(20)6-2-11)16(21)19-13-3-7-15(8-4-13)24(18,22)23/h1-9,20H,(H,19,21)(H2,18,22,23)/b12-9+
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0.670n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50428849
PNG
(CHEMBL2337540)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CC#N)cc1
Show InChI InChI=1S/C9H9N3O3S/c10-6-5-9(13)12-7-1-3-8(4-2-7)16(11,14)15/h1-4H,5H2,(H,12,13)(H2,11,14,15)
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0.670n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
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 12


(Homo sapiens (human))
BDBM50428847
PNG
(CHEMBL2337542)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(Cl)cc2Cl)\C#N)cc1
Show InChI InChI=1S/C16H11Cl2N3O3S/c17-12-2-1-10(15(18)8-12)7-11(9-19)16(22)21-13-3-5-14(6-4-13)25(20,23)24/h1-8H,(H,21,22)(H2,20,23,24)/b11-7+
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0.720n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
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 12


(Homo sapiens (human))
BDBM50428848
PNG
(CHEMBL2337541)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccccc2Cl)\C#N)cc1
Show InChI InChI=1S/C16H12ClN3O3S/c17-15-4-2-1-3-11(15)9-12(10-18)16(21)20-13-5-7-14(8-6-13)24(19,22)23/h1-9H,(H,20,21)(H2,19,22,23)/b12-9+
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0.860n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
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 9


(Homo sapiens (human))
BDBM50428844
PNG
(CHEMBL2337544)
Show SMILES COc1ccc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H15N3O4S/c1-24-15-6-2-12(3-7-15)10-13(11-18)17(21)20-14-4-8-16(9-5-14)25(19,22)23/h2-10H,1H3,(H,20,21)(H2,19,22,23)/b13-10+
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0.860n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
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 9


(Homo sapiens (human))
BDBM50428846
PNG
(CHEMBL2337543)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc(cc2)[N+]([O-])=O)\C#N)cc1
Show InChI InChI=1S/C16H12N4O5S/c17-10-12(9-11-1-5-14(6-2-11)20(22)23)16(21)19-13-3-7-15(8-4-13)26(18,24)25/h1-9H,(H,19,21)(H2,18,24,25)/b12-9+
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0.930n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50428836
PNG
(CHEMBL2337532)
Show SMILES CN(C)c1ccc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C18H18N4O3S/c1-22(2)16-7-3-13(4-8-16)11-14(12-19)18(23)21-15-5-9-17(10-6-15)26(20,24)25/h3-11H,1-2H3,(H,21,23)(H2,20,24,25)/b14-11+
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0.930n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50428842
PNG
(CHEMBL2337133)
Show SMILES COc1cc(OC)c(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC
Show InChI InChI=1S/C19H19N3O6S/c1-26-16-10-18(28-3)17(27-2)9-12(16)8-13(11-20)19(23)22-14-4-6-15(7-5-14)29(21,24)25/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)/b13-8+
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0.960n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 21: 1396-403 (2013)


Article DOI: 10.1016/j.bmc.2012.12.004
BindingDB Entry DOI: 10.7270/Q2GM88N1
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 2


(Homo sapiens (human))
BDBM50025357
PNG
(CHEMBL3337907)
Show SMILES Cc1cccc2nc(SCC(=O)Nc3ccc(cc3)S(N)(=O)=O)n(CC=C)c(=O)c12
Show InChI InChI=1S/C20H20N4O4S2/c1-3-11-24-19(26)18-13(2)5-4-6-16(18)23-20(24)29-12-17(25)22-14-7-9-15(10-8-14)30(21,27)28/h3-10H,1,11-12H2,2H3,(H,22,25)(H2,21,27,28)
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1.30n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
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 2


(Homo sapiens (human))
BDBM50025386
PNG
(CHEMBL3337909)
Show SMILES Cc1ccc2nc(SCC(=O)Nc3ccc(cc3)S(N)(=O)=O)n(Cc3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C24H22N4O4S2/c1-16-7-12-21-20(13-16)23(30)28(14-17-5-3-2-4-6-17)24(27-21)33-15-22(29)26-18-8-10-19(11-9-18)34(25,31)32/h2-13H,14-15H2,1H3,(H,26,29)(H2,25,31,32)
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1.70n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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


Bioorg Med Chem 22: 5133-40 (2014)


Article DOI: 10.1016/j.bmc.2014.08.015
BindingDB Entry DOI: 10.7270/Q2QR4ZPS
More data for this
Ligand-Target Pair
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