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Compile Data Set for Download or QSAR

Found 3163 hits with Last Name = 'capasso' and Initial = 'c'   
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 12


(Homo sapiens (Human))
BDBM50492460
PNG
(CHEMBL2402776)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2Cl)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15ClN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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0.240n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50492476
PNG
(CHEMBL1518649)
Show SMILES COc1ccc(CC(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H20N2O4S/c1-23-15-6-2-14(3-7-15)12-17(20)19-11-10-13-4-8-16(9-5-13)24(18,21)22/h2-9H,10-12H2,1H3,(H,19,20)(H2,18,21,22)
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0.25n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50492471
PNG
(CHEMBL2402764)
Show SMILES COc1ccc(CC(=O)Nc2nnc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C11H12N4O4S2/c1-19-8-4-2-7(3-5-8)6-9(16)13-10-14-15-11(20-10)21(12,17)18/h2-5H,6H2,1H3,(H2,12,17,18)(H,13,14,16)
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0.310n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50492464
PNG
(CHEMBL2402768)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H16N2O4S/c1-21-13-6-2-11(3-7-13)10-15(18)17-12-4-8-14(9-5-12)22(16,19)20/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20)
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0.320n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50492460
PNG
(CHEMBL2402776)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2Cl)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15ClN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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0.410n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50176610
PNG
(CHEMBL3808876)
Show SMILES NS(=O)(=O)c1ccc(Nc2csc(Nc3ccc(cc3)S(N)(=O)=O)n2)cc1
Show InChI InChI=1S/C15H15N5O4S3/c16-26(21,22)12-5-1-10(2-6-12)18-14-9-25-15(20-14)19-11-3-7-13(8-4-11)27(17,23)24/h1-9,18H,(H,19,20)(H2,16,21,22)(H2,17,23,24)
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0.410n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50492476
PNG
(CHEMBL1518649)
Show SMILES COc1ccc(CC(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H20N2O4S/c1-23-15-6-2-14(3-7-15)12-17(20)19-11-10-13-4-8-16(9-5-13)24(18,21)22/h2-9H,10-12H2,1H3,(H,19,20)(H2,18,21,22)
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0.430n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50492465
PNG
(CHEMBL2402767)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)cc1
Show InChI InChI=1S/C14H13BrN2O3S/c15-13-4-2-1-3-10(13)9-14(18)17-11-5-7-12(8-6-11)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
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0.440n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50492477
PNG
(CHEMBL2402758)
Show SMILES COc1ccc(CC(=O)NCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H18N2O4S/c1-22-14-6-2-12(3-7-14)10-16(19)18-11-13-4-8-15(9-5-13)23(17,20)21/h2-9H,10-11H2,1H3,(H,18,19)(H2,17,20,21)
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0.450n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50176458
PNG
(CHEMBL3809959)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(cs2)N2CCCCC2)cc1
Show InChI InChI=1S/C14H18N4O2S2/c15-22(19,20)12-6-4-11(5-7-12)16-14-17-13(10-21-14)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,16,17)(H2,15,19,20)
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0.470n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50261590
PNG
(CHEMBL4059984)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC
Show InChI InChI=1S/C17H18N2O5S/c1-23-15-9-3-12(11-16(15)24-2)4-10-17(20)19-13-5-7-14(8-6-13)25(18,21)22/h3-11H,1-2H3,(H,19,20)(H2,18,21,22)/b10-4+
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0.5n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 5726-5732 (2017)


Article DOI: 10.1016/j.bmc.2017.08.047
BindingDB Entry DOI: 10.7270/Q2T72KXC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50492474
PNG
(CHEMBL2402753)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Br)c1
Show InChI InChI=1S/C14H12Br2N2O3S/c15-11-4-2-1-3-9(11)7-14(19)18-13-6-5-10(8-12(13)16)22(17,20)21/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)
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0.520n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50176697
PNG
(CHEMBL3809123)
Show SMILES [#7]\[#6](-[#7])=[#7]\S(=O)(=O)c1ccc(-[#7]\[#7]=[#6]-2/[#16]-[#6](-[#7]-c3ccc(cc3)S([#7])(=O)=O)=[#7]-[#6]-2=O)cc1 |c:27|
Show InChI InChI=1S/C16H16N8O5S3/c17-15(18)24-32(28,29)12-7-3-10(4-8-12)22-23-14-13(25)21-16(30-14)20-9-1-5-11(6-2-9)31(19,26)27/h1-8,22H,(H4,17,18,24)(H2,19,26,27)(H,20,21,25)/b23-14-
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0.530n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50492467
PNG
(CHEMBL2402756)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H15ClN2O3S/c16-13-5-1-11(2-6-13)9-15(19)18-10-12-3-7-14(8-4-12)22(17,20)21/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)
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0.530n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50492481
PNG
(CHEMBL2402754)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2Br)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15BrN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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0.540n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50495062
PNG
(CHEMBL3098527)
Show SMILES COc1ccc(cc1)C(=O)N\N=C(/C)\C(=N\Nc1ccc(cc1)S(N)(=O)=O)\S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C23H23N5O6S2/c1-16(25-27-22(29)17-8-12-19(34-2)13-9-17)23(35(30,31)20-6-4-3-5-7-20)28-26-18-10-14-21(15-11-18)36(24,32)33/h3-15,26H,1-2H3,(H,27,29)(H2,24,32,33)/b25-16+,28-23-
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0.550n/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: 141-7 (2014)


Article DOI: 10.1016/j.bmc.2013.11.042
BindingDB Entry DOI: 10.7270/Q28P63GS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50495067
PNG
(CHEMBL3098533)
Show SMILES CC(=O)C1=NN(\C(S1)=C(/C#N)C(=O)Nc1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)S(N)(=O)=O |t:3|
Show InChI InChI=1S/C19H16N6O6S3/c1-11(26)18-24-25(13-4-8-15(9-5-13)34(22,30)31)19(32-18)16(10-20)17(27)23-12-2-6-14(7-3-12)33(21,28)29/h2-9H,1H3,(H,23,27)(H2,21,28,29)(H2,22,30,31)/b19-16-
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0.560n/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: 141-7 (2014)


Article DOI: 10.1016/j.bmc.2013.11.042
BindingDB Entry DOI: 10.7270/Q28P63GS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50495058
PNG
(CHEMBL3098522)
Show SMILES C\C(=N/NC(=O)c1ccc(Cl)cc1)\C(=N\Nc1ccc(cc1)S(N)(=O)=O)\N1CCCCC1
Show InChI InChI=1S/C21H25ClN6O3S/c1-15(24-27-21(29)16-5-7-17(22)8-6-16)20(28-13-3-2-4-14-28)26-25-18-9-11-19(12-10-18)32(23,30)31/h5-12,25H,2-4,13-14H2,1H3,(H,27,29)(H2,23,30,31)/b24-15+,26-20-
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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 2 preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 141-7 (2014)


Article DOI: 10.1016/j.bmc.2013.11.042
BindingDB Entry DOI: 10.7270/Q28P63GS
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50492456
PNG
(CHEMBL2402760)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2Br)cc1
Show InChI InChI=1S/C16H17BrN2O3S/c17-15-4-2-1-3-13(15)11-16(20)19-10-9-12-5-7-14(8-6-12)23(18,21)22/h1-8H,9-11H2,(H,19,20)(H2,18,21,22)
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0.570n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50492467
PNG
(CHEMBL2402756)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H15ClN2O3S/c16-13-5-1-11(2-6-13)9-15(19)18-10-12-3-7-14(8-4-12)22(17,20)21/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)
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0.570n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50176459
PNG
(CHEMBL3809207)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(F)cc3)cs2)cc1
Show InChI InChI=1S/C15H13FN4O2S2/c16-10-1-3-11(4-2-10)18-14-9-23-15(20-14)19-12-5-7-13(8-6-12)24(17,21)22/h1-9,18H,(H,19,20)(H2,17,21,22)
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0.580n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50492454
PNG
(CHEMBL2402763)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2Br)s1
Show InChI InChI=1S/C10H9BrN4O3S2/c11-7-4-2-1-3-6(7)5-8(16)13-9-14-15-10(19-9)20(12,17)18/h1-4H,5H2,(H2,12,17,18)(H,13,14,16)
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0.610n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50492470
PNG
(CHEMBL2402771)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(F)c1
Show InChI InChI=1S/C14H12BrFN2O3S/c15-11-4-2-1-3-9(11)7-14(19)18-13-6-5-10(8-12(13)16)22(17,20)21/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)
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0.620n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50176460
PNG
(CHEMBL3808746)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(cc3)C(O)=O)cs2)cc1
Show InChI InChI=1S/C16H14N4O4S2/c17-26(23,24)13-7-5-12(6-8-13)19-16-20-14(9-25-16)18-11-3-1-10(2-4-11)15(21)22/h1-9,18H,(H,19,20)(H,21,22)(H2,17,23,24)
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0.620n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay


Bioorg Med Chem 24: 3043-3051 (2016)


Article DOI: 10.1016/j.bmc.2016.05.016
BindingDB Entry DOI: 10.7270/Q2736STC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50492481
PNG
(CHEMBL2402754)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2Br)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15BrN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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0.620n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50492471
PNG
(CHEMBL2402764)
Show SMILES COc1ccc(CC(=O)Nc2nnc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C11H12N4O4S2/c1-19-8-4-2-7(3-5-8)6-9(16)13-10-14-15-11(20-10)21(12,17)18/h2-5H,6H2,1H3,(H2,12,17,18)(H,13,14,16)
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0.630n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50261599
PNG
(CHEMBL4100697)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)\C=C\c2cccc(F)c2)cc1
Show InChI InChI=1S/C15H13FN2O3S/c16-12-3-1-2-11(10-12)4-9-15(19)18-13-5-7-14(8-6-13)22(17,20)21/h1-10H,(H,18,19)(H2,17,20,21)/b9-4+
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0.630n/an/an/an/an/an/an/an/a



Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Balanagar, Hyderabad 500037, India.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase-2 preincubated for 10 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 5726-5732 (2017)


Article DOI: 10.1016/j.bmc.2017.08.047
BindingDB Entry DOI: 10.7270/Q2T72KXC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50492464
PNG
(CHEMBL2402768)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H16N2O4S/c1-21-13-6-2-11(3-7-13)10-15(18)17-12-4-8-14(9-5-12)22(16,19)20/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20)
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0.640n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492481
PNG
(CHEMBL2402754)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2Br)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15BrN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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0.690n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins to 6 hrs by CO2 hydration stopped-flow assay


J Med Chem 56: 5773-81 (2013)


Article DOI: 10.1021/jm400418p
BindingDB Entry DOI: 10.7270/Q28W3H7J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492481
PNG
(CHEMBL2402754)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2Br)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15BrN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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0.690n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492454
PNG
(CHEMBL2402763)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2Br)s1
Show InChI InChI=1S/C10H9BrN4O3S2/c11-7-4-2-1-3-6(7)5-8(16)13-9-14-15-10(19-9)20(12,17)18/h1-4H,5H2,(H2,12,17,18)(H,13,14,16)
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0.700n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492455
PNG
(CHEMBL2402762)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C10H9ClN4O3S2/c11-7-3-1-6(2-4-7)5-8(16)13-9-14-15-10(19-9)20(12,17)18/h1-4H,5H2,(H2,12,17,18)(H,13,14,16)
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0.700n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins to 6 hrs by CO2 hydration stopped-flow assay


J Med Chem 56: 5773-81 (2013)


Article DOI: 10.1021/jm400418p
BindingDB Entry DOI: 10.7270/Q28W3H7J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492454
PNG
(CHEMBL2402763)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2Br)s1
Show InChI InChI=1S/C10H9BrN4O3S2/c11-7-4-2-1-3-6(7)5-8(16)13-9-14-15-10(19-9)20(12,17)18/h1-4H,5H2,(H2,12,17,18)(H,13,14,16)
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0.700n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins to 6 hrs by CO2 hydration stopped-flow assay


J Med Chem 56: 5773-81 (2013)


Article DOI: 10.1021/jm400418p
BindingDB Entry DOI: 10.7270/Q28W3H7J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492455
PNG
(CHEMBL2402762)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C10H9ClN4O3S2/c11-7-3-1-6(2-4-7)5-8(16)13-9-14-15-10(19-9)20(12,17)18/h1-4H,5H2,(H2,12,17,18)(H,13,14,16)
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0.700n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492456
PNG
(CHEMBL2402760)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2Br)cc1
Show InChI InChI=1S/C16H17BrN2O3S/c17-15-4-2-1-3-13(15)11-16(20)19-10-9-12-5-7-14(8-6-12)23(18,21)22/h1-8H,9-11H2,(H,19,20)(H2,18,21,22)
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0.720n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins to 6 hrs by CO2 hydration stopped-flow assay


J Med Chem 56: 5773-81 (2013)


Article DOI: 10.1021/jm400418p
BindingDB Entry DOI: 10.7270/Q28W3H7J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492456
PNG
(CHEMBL2402760)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2Br)cc1
Show InChI InChI=1S/C16H17BrN2O3S/c17-15-4-2-1-3-13(15)11-16(20)19-10-9-12-5-7-14(8-6-12)23(18,21)22/h1-8H,9-11H2,(H,19,20)(H2,18,21,22)
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0.720n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492460
PNG
(CHEMBL2402776)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2Cl)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15ClN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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0.740n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins to 6 hrs by CO2 hydration stopped-flow assay


J Med Chem 56: 5773-81 (2013)


Article DOI: 10.1021/jm400418p
BindingDB Entry DOI: 10.7270/Q28W3H7J
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50492454
PNG
(CHEMBL2402763)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2Br)s1
Show InChI InChI=1S/C10H9BrN4O3S2/c11-7-4-2-1-3-6(7)5-8(16)13-9-14-15-10(19-9)20(12,17)18/h1-4H,5H2,(H2,12,17,18)(H,13,14,16)
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0.740n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492460
PNG
(CHEMBL2402776)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2Cl)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15ClN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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0.740n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50492461
PNG
(CHEMBL2402775)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Cl)c1
Show InChI InChI=1S/C14H12BrClN2O3S/c15-11-4-2-1-3-9(11)7-14(19)18-13-6-5-10(8-12(13)16)22(17,20)21/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)
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0.740n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492471
PNG
(CHEMBL2402764)
Show SMILES COc1ccc(CC(=O)Nc2nnc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C11H12N4O4S2/c1-19-8-4-2-7(3-5-8)6-9(16)13-10-14-15-11(20-10)21(12,17)18/h2-5H,6H2,1H3,(H2,12,17,18)(H,13,14,16)
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UniChem
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PubMed
0.760n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492471
PNG
(CHEMBL2402764)
Show SMILES COc1ccc(CC(=O)Nc2nnc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C11H12N4O4S2/c1-19-8-4-2-7(3-5-8)6-9(16)13-10-14-15-11(20-10)21(12,17)18/h2-5H,6H2,1H3,(H2,12,17,18)(H,13,14,16)
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0.760n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins to 6 hrs by CO2 hydration stopped-flow assay


J Med Chem 56: 5773-81 (2013)


Article DOI: 10.1021/jm400418p
BindingDB Entry DOI: 10.7270/Q28W3H7J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492466
PNG
(CHEMBL2402757)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2Br)cc1
Show InChI InChI=1S/C15H15BrN2O3S/c16-14-4-2-1-3-12(14)9-15(19)18-10-11-5-7-13(8-6-11)22(17,20)21/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)
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0.770n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492466
PNG
(CHEMBL2402757)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2Br)cc1
Show InChI InChI=1S/C15H15BrN2O3S/c16-14-4-2-1-3-12(14)9-15(19)18-10-11-5-7-13(8-6-11)22(17,20)21/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)
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0.770n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins to 6 hrs by CO2 hydration stopped-flow assay


J Med Chem 56: 5773-81 (2013)


Article DOI: 10.1021/jm400418p
BindingDB Entry DOI: 10.7270/Q28W3H7J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492462
PNG
(CHEMBL2402772)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2F)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15FN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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0.780n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492462
PNG
(CHEMBL2402772)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2F)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15FN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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0.780n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins to 6 hrs by CO2 hydration stopped-flow assay


J Med Chem 56: 5773-81 (2013)


Article DOI: 10.1021/jm400418p
BindingDB Entry DOI: 10.7270/Q28W3H7J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492464
PNG
(CHEMBL2402768)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H16N2O4S/c1-21-13-6-2-11(3-7-13)10-15(18)17-12-4-8-14(9-5-12)22(16,19)20/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20)
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0.790n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492464
PNG
(CHEMBL2402768)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H16N2O4S/c1-21-13-6-2-11(3-7-13)10-15(18)17-12-4-8-14(9-5-12)22(16,19)20/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20)
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0.790n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins to 6 hrs by CO2 hydration stopped-flow assay


J Med Chem 56: 5773-81 (2013)


Article DOI: 10.1021/jm400418p
BindingDB Entry DOI: 10.7270/Q28W3H7J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492474
PNG
(CHEMBL2402753)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Br)c1
Show InChI InChI=1S/C14H12Br2N2O3S/c15-11-4-2-1-3-9(11)7-14(19)18-13-6-5-10(8-12(13)16)22(17,20)21/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)
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0.800n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins to 6 hrs by CO2 hydration stopped-flow assay


J Med Chem 56: 5773-81 (2013)


Article DOI: 10.1021/jm400418p
BindingDB Entry DOI: 10.7270/Q28W3H7J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492474
PNG
(CHEMBL2402753)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Br)c1
Show InChI InChI=1S/C14H12Br2N2O3S/c15-11-4-2-1-3-9(11)7-14(19)18-13-6-5-10(8-12(13)16)22(17,20)21/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)
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0.800n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair
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