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PubMed code 23290254

Compile data set for download or QSAR
Found 92 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 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 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 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 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 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 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 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 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))
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 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))
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 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 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 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 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 12


(Homo sapiens (human))
BDBM50428840
PNG
(CHEMBL2337528)
Show SMILES COc1ccc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC
Show InChI InChI=1S/C18H17N3O5S/c1-25-16-8-3-12(10-17(16)26-2)9-13(11-19)18(22)21-14-4-6-15(7-5-14)27(20,23)24/h3-10H,1-2H3,(H,21,22)(H2,20,23,24)/b13-9+
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2.30n/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))
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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2.30n/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))
BDBM50428835
PNG
(CHEMBL2337533)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\C=C\c2ccccc2)\C#N)cc1
Show InChI InChI=1S/C18H15N3O3S/c19-13-15(8-4-7-14-5-2-1-3-6-14)18(22)21-16-9-11-17(12-10-16)25(20,23)24/h1-12H,(H,21,22)(H2,20,23,24)/b7-4+,15-8+
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2.40n/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))
BDBM50428833
PNG
(CHEMBL2337534)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2cccs2)\C#N)cc1
Show InChI InChI=1S/C14H11N3O3S2/c15-9-10(8-12-2-1-7-21-12)14(18)17-11-3-5-13(6-4-11)22(16,19)20/h1-8H,(H,17,18)(H2,16,19,20)/b10-8+
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2.70n/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 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))
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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3.40n/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))
BDBM50428830
PNG
(CHEMBL2337537)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(N=Nc2ccccc2)C#N)cc1
Show InChI InChI=1S/C15H13N5O3S/c16-10-14(20-19-12-4-2-1-3-5-12)15(21)18-11-6-8-13(9-7-11)24(17,22)23/h1-9,14H,(H,18,21)(H2,17,22,23)
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3.5n/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))
BDBM50428833
PNG
(CHEMBL2337534)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2cccs2)\C#N)cc1
Show InChI InChI=1S/C14H11N3O3S2/c15-9-10(8-12-2-1-7-21-12)14(18)17-11-3-5-13(6-4-11)22(16,19)20/h1-8H,(H,17,18)(H2,16,19,20)/b10-8+
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3.70n/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))
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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4.20n/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 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))
BDBM50428834
PNG
(CHEMBL1347917)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccco2)\C#N)cc1
Show InChI InChI=1S/C14H11N3O4S/c15-9-10(8-12-2-1-7-21-12)14(18)17-11-3-5-13(6-4-11)22(16,19)20/h1-8H,(H,17,18)(H2,16,19,20)/b10-8+
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4.30n/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 9


(Homo sapiens (human))
BDBM50428835
PNG
(CHEMBL2337533)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\C=C\c2ccccc2)\C#N)cc1
Show InChI InChI=1S/C18H15N3O3S/c19-13-15(8-4-7-14-5-2-1-3-6-14)18(22)21-16-9-11-17(12-10-16)25(20,23)24/h1-12H,(H,21,22)(H2,20,23,24)/b7-4+,15-8+
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4.90n/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 9


(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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5.20n/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))
BDBM50428839
PNG
(CHEMBL2337529)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)ccc1O
Show InChI InChI=1S/C17H15N3O5S/c1-25-16-9-11(2-7-15(16)21)8-12(10-18)17(22)20-13-3-5-14(6-4-13)26(19,23)24/h2-9,21H,1H3,(H,20,22)(H2,19,23,24)/b12-8+
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5.20n/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))
BDBM50428833
PNG
(CHEMBL2337534)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2cccs2)\C#N)cc1
Show InChI InChI=1S/C14H11N3O3S2/c15-9-10(8-12-2-1-7-21-12)14(18)17-11-3-5-13(6-4-11)22(16,19)20/h1-8H,(H,17,18)(H2,16,19,20)/b10-8+
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5.30n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
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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5.40n/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 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))
BDBM50428839
PNG
(CHEMBL2337529)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)ccc1O
Show InChI InChI=1S/C17H15N3O5S/c1-25-16-9-11(2-7-15(16)21)8-12(10-18)17(22)20-13-3-5-14(6-4-13)26(19,23)24/h2-9,21H,1H3,(H,20,22)(H2,19,23,24)/b12-8+
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5.40n/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))
BDBM50428834
PNG
(CHEMBL1347917)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccco2)\C#N)cc1
Show InChI InChI=1S/C14H11N3O4S/c15-9-10(8-12-2-1-7-21-12)14(18)17-11-3-5-13(6-4-11)22(16,19)20/h1-8H,(H,17,18)(H2,16,19,20)/b10-8+
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5.5n/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 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))
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



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
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50428851
PNG
(CHEMBL2337538)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(C#N)C(=S)Nc2ccccc2)cc1
Show InChI InChI=1S/C16H14N4O3S2/c17-10-14(16(24)20-11-4-2-1-3-5-11)15(21)19-12-6-8-13(9-7-12)25(18,22)23/h1-9,14H,(H,19,21)(H,20,24)(H2,18,22,23)
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5.80n/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))
BDBM50428839
PNG
(CHEMBL2337529)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)ccc1O
Show InChI InChI=1S/C17H15N3O5S/c1-25-16-9-11(2-7-15(16)21)8-12(10-18)17(22)20-13-3-5-14(6-4-13)26(19,23)24/h2-9,21H,1H3,(H,20,22)(H2,19,23,24)/b12-8+
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6n/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 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))
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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6.10n/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 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))
BDBM50428834
PNG
(CHEMBL1347917)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccco2)\C#N)cc1
Show InChI InChI=1S/C14H11N3O4S/c15-9-10(8-12-2-1-7-21-12)14(18)17-11-3-5-13(6-4-11)22(16,19)20/h1-8H,(H,17,18)(H2,16,19,20)/b10-8+
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6.10n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
BDBM50428834
PNG
(CHEMBL1347917)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccco2)\C#N)cc1
Show InChI InChI=1S/C14H11N3O4S/c15-9-10(8-12-2-1-7-21-12)14(18)17-11-3-5-13(6-4-11)22(16,19)20/h1-8H,(H,17,18)(H2,16,19,20)/b10-8+
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6.30n/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))
BDBM50428833
PNG
(CHEMBL2337534)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2cccs2)\C#N)cc1
Show InChI InChI=1S/C14H11N3O3S2/c15-9-10(8-12-2-1-7-21-12)14(18)17-11-3-5-13(6-4-11)22(16,19)20/h1-8H,(H,17,18)(H2,16,19,20)/b10-8+
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6.40n/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))
BDBM50428851
PNG
(CHEMBL2337538)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(C#N)C(=S)Nc2ccccc2)cc1
Show InChI InChI=1S/C16H14N4O3S2/c17-10-14(16(24)20-11-4-2-1-3-5-11)15(21)19-12-6-8-13(9-7-12)25(18,22)23/h1-9,14H,(H,19,21)(H,20,24)(H2,18,22,23)
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6.5n/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 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))
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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6.70n/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 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))
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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6.90n/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 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))
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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7.5n/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 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))
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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7.80n/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))
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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7.90n/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 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))
BDBM50428830
PNG
(CHEMBL2337537)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(N=Nc2ccccc2)C#N)cc1
Show InChI InChI=1S/C15H13N5O3S/c16-10-14(20-19-12-4-2-1-3-5-12)15(21)18-11-6-8-13(9-7-11)24(17,22)23/h1-9,14H,(H,18,21)(H2,17,22,23)
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8.5n/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 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))
BDBM50428832
PNG
(CHEMBL2337535)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc3OCOc3c2)\C#N)cc1
Show InChI InChI=1S/C17H13N3O5S/c18-9-12(7-11-1-6-15-16(8-11)25-10-24-15)17(21)20-13-2-4-14(5-3-13)26(19,22)23/h1-8H,10H2,(H,20,21)(H2,19,22,23)/b12-7+
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8.90n/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))
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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8.90n/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))
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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9n/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 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))
BDBM50428830
PNG
(CHEMBL2337537)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(N=Nc2ccccc2)C#N)cc1
Show InChI InChI=1S/C15H13N5O3S/c16-10-14(20-19-12-4-2-1-3-5-12)15(21)18-11-6-8-13(9-7-11)24(17,22)23/h1-9,14H,(H,18,21)(H2,17,22,23)
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9.5n/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 9


(Homo sapiens (human))
BDBM50428832
PNG
(CHEMBL2337535)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc3OCOc3c2)\C#N)cc1
Show InChI InChI=1S/C17H13N3O5S/c18-9-12(7-11-1-6-15-16(8-11)25-10-24-15)17(21)20-13-2-4-14(5-3-13)26(19,22)23/h1-8H,10H2,(H,20,21)(H2,19,22,23)/b12-7+
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9.5n/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))
BDBM50428831
PNG
(CHEMBL2337536)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=N)cc1
Show InChI InChI=1S/C16H13N3O4S/c17-15-13(9-10-3-1-2-4-14(10)23-15)16(20)19-11-5-7-12(8-6-11)24(18,21)22/h1-9,17H,(H,19,20)(H2,18,21,22)
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11n/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 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))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 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
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50428851
PNG
(CHEMBL2337538)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(C#N)C(=S)Nc2ccccc2)cc1
Show InChI InChI=1S/C16H14N4O3S2/c17-10-14(16(24)20-11-4-2-1-3-5-11)15(21)19-12-6-8-13(9-7-12)25(18,22)23/h1-9,14H,(H,19,21)(H,20,24)(H2,18,22,23)
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12n/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))
BDBM50428831
PNG
(CHEMBL2337536)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=N)cc1
Show InChI InChI=1S/C16H13N3O4S/c17-15-13(9-10-3-1-2-4-14(10)23-15)16(20)19-11-5-7-12(8-6-11)24(18,21)22/h1-9,17H,(H,19,20)(H2,18,21,22)
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13n/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))
BDBM50428832
PNG
(CHEMBL2337535)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc3OCOc3c2)\C#N)cc1
Show InChI InChI=1S/C17H13N3O5S/c18-9-12(7-11-1-6-15-16(8-11)25-10-24-15)17(21)20-13-2-4-14(5-3-13)26(19,22)23/h1-8H,10H2,(H,20,21)(H2,19,22,23)/b12-7+
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14n/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 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))
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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19n/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 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))
BDBM50428835
PNG
(CHEMBL2337533)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\C=C\c2ccccc2)\C#N)cc1
Show InChI InChI=1S/C18H15N3O3S/c19-13-15(8-4-7-14-5-2-1-3-6-14)18(22)21-16-9-11-17(12-10-16)25(20,23)24/h1-12H,(H,21,22)(H2,20,23,24)/b7-4+,15-8+
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19n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
BDBM50428840
PNG
(CHEMBL2337528)
Show SMILES COc1ccc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC
Show InChI InChI=1S/C18H17N3O5S/c1-25-16-8-3-12(10-17(16)26-2)9-13(11-19)18(22)21-14-4-6-15(7-5-14)27(20,23)24/h3-10H,1-2H3,(H,21,22)(H2,20,23,24)/b13-9+
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19n/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 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))
BDBM50428840
PNG
(CHEMBL2337528)
Show SMILES COc1ccc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC
Show InChI InChI=1S/C18H17N3O5S/c1-25-16-8-3-12(10-17(16)26-2)9-13(11-19)18(22)21-14-4-6-15(7-5-14)27(20,23)24/h3-10H,1-2H3,(H,21,22)(H2,20,23,24)/b13-9+
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21n/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 9


(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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21n/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))
BDBM50428831
PNG
(CHEMBL2337536)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=N)cc1
Show InChI InChI=1S/C16H13N3O4S/c17-15-13(9-10-3-1-2-4-14(10)23-15)16(20)19-11-5-7-12(8-6-11)24(18,21)22/h1-9,17H,(H,19,20)(H2,18,21,22)
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24n/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))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/an/an/an/an/an/an/an/a



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
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (human))
BDBM50428832
PNG
(CHEMBL2337535)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\c2ccc3OCOc3c2)\C#N)cc1
Show InChI InChI=1S/C17H13N3O5S/c18-9-12(7-11-1-6-15-16(8-11)25-10-24-15)17(21)20-13-2-4-14(5-3-13)26(19,22)23/h1-8H,10H2,(H,20,21)(H2,19,22,23)/b12-7+
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25n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
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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26n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
BDBM50428835
PNG
(CHEMBL2337533)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(=C\C=C\c2ccccc2)\C#N)cc1
Show InChI InChI=1S/C18H15N3O3S/c19-13-15(8-4-7-14-5-2-1-3-6-14)18(22)21-16-9-11-17(12-10-16)25(20,23)24/h1-12H,(H,21,22)(H2,20,23,24)/b7-4+,15-8+
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31n/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 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))
BDBM50428840
PNG
(CHEMBL2337528)
Show SMILES COc1ccc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1OC
Show InChI InChI=1S/C18H17N3O5S/c1-25-16-8-3-12(10-17(16)26-2)9-13(11-19)18(22)21-14-4-6-15(7-5-14)27(20,23)24/h3-10H,1-2H3,(H,21,22)(H2,20,23,24)/b13-9+
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31n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
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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33n/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))
BDBM50428839
PNG
(CHEMBL2337529)
Show SMILES COc1cc(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)ccc1O
Show InChI InChI=1S/C17H15N3O5S/c1-25-16-9-11(2-7-15(16)21)8-12(10-18)17(22)20-13-3-5-14(6-4-13)26(19,23)24/h2-9,21H,1H3,(H,20,22)(H2,19,23,24)/b12-8+
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33n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
BDBM50428831
PNG
(CHEMBL2337536)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=N)cc1
Show InChI InChI=1S/C16H13N3O4S/c17-15-13(9-10-3-1-2-4-14(10)23-15)16(20)19-11-5-7-12(8-6-11)24(18,21)22/h1-9,17H,(H,19,20)(H2,18,21,22)
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33n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
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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33n/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 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))
BDBM50428830
PNG
(CHEMBL2337537)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(N=Nc2ccccc2)C#N)cc1
Show InChI InChI=1S/C15H13N5O3S/c16-10-14(20-19-12-4-2-1-3-5-12)15(21)18-11-6-8-13(9-7-11)24(17,22)23/h1-9,14H,(H,18,21)(H2,17,22,23)
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34n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
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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34n/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 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))
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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36n/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))
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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38n/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 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))
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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39n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
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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40n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
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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40n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
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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41n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
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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42n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
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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47n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
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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47n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
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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52n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
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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52n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
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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59n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
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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61n/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 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))
BDBM50428851
PNG
(CHEMBL2337538)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)C(C#N)C(=S)Nc2ccccc2)cc1
Show InChI InChI=1S/C16H14N4O3S2/c17-10-14(16(24)20-11-4-2-1-3-5-11)15(21)19-12-6-8-13(9-7-12)25(18,22)23/h1-9,14H,(H,19,21)(H,20,24)(H2,18,22,23)
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68n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
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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71n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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))
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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116n/an/an/an/an/an/an/an/a



Salman Bin Abdulaziz University

Curated by ChEMBL


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



Salman Bin Abdulaziz University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 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
3D
3D Structure (crystal)
* indicates data uncertainty>20%