Found 71 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50344562
(2-(diethylamino)ethyl 4-(N-(5-sulfamoyl-1,3,4-thia...)Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C15H21N5O6S3/c1-3-20(4-2)9-10-26-13(21)11-5-7-12(8-6-11)29(24,25)19-14-17-18-15(27-14)28(16,22)23/h5-8H,3-4,9-10H2,1-2H3,(H,17,19)(H2,16,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10884
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)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) | PDB
MMDB
Reactome pathway
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PC cid
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| PDB
Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10884
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| DrugBank
PDB
Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50344556
(4-(nitrooxy)butyl 4-(N-(5-sulfamoyl-1,3,4-thiadiaz...)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)C(=O)OCCCCO[N+]([O-])=O)s1 Show InChI InChI=1S/C13H15N5O9S3/c14-29(22,23)13-16-15-12(28-13)17-30(24,25)10-5-3-9(4-6-10)11(19)26-7-1-2-8-27-18(20)21/h3-6H,1-2,7-8H2,(H,15,17)(H2,14,22,23) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50344556
(4-(nitrooxy)butyl 4-(N-(5-sulfamoyl-1,3,4-thiadiaz...)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)C(=O)OCCCCO[N+]([O-])=O)s1 Show InChI InChI=1S/C13H15N5O9S3/c14-29(22,23)13-16-15-12(28-13)17-30(24,25)10-5-3-9(4-6-10)11(19)26-7-1-2-8-27-18(20)21/h3-6H,1-2,7-8H2,(H,15,17)(H2,14,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50344553
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H22N2O10S/c1-30-19-14-15(5-11-20(24)31-12-2-3-13-32-23(26)27)4-10-18(19)33-21(25)16-6-8-17(9-7-16)34(22,28)29/h4-11,14H,2-3,12-13H2,1H3,(H2,22,28,29)/b11-5+ | PDB
MMDB
Reactome pathway
KEGG
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PC cid
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UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50344553
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H22N2O10S/c1-30-19-14-15(5-11-20(24)31-12-2-3-13-32-23(26)27)4-10-18(19)33-21(25)16-6-8-17(9-7-16)34(22,28)29/h4-11,14H,2-3,12-13H2,1H3,(H2,22,28,29)/b11-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50344557
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C23H23N5O12S3/c1-37-19-14-15(5-11-20(29)38-12-2-3-13-39-28(31)32)4-10-18(19)40-21(30)16-6-8-17(9-7-16)43(35,36)27-22-25-26-23(41-22)42(24,33)34/h4-11,14H,2-3,12-13H2,1H3,(H,25,27)(H2,24,33,34)/b11-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50344560
(4-(4-sulfamoylphenoxy)butyl nitrate | CHEMBL177843...)Show InChI InChI=1S/C10H14N2O6S/c11-19(15,16)10-5-3-9(4-6-10)17-7-1-2-8-18-12(13)14/h3-6H,1-2,7-8H2,(H2,11,15,16) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)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) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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CHEMBL
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PC cid
PC sid
PDB
UniChem
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Similars
| DrugBank
MMDB
PDB
Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50344557
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C23H23N5O12S3/c1-37-19-14-15(5-11-20(29)38-12-2-3-13-39-28(31)32)4-10-18(19)40-21(30)16-6-8-17(9-7-16)43(35,36)27-22-25-26-23(41-22)42(24,33)34/h4-11,14H,2-3,12-13H2,1H3,(H,25,27)(H2,24,33,34)/b11-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50344553
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H22N2O10S/c1-30-19-14-15(5-11-20(24)31-12-2-3-13-32-23(26)27)4-10-18(19)33-21(25)16-6-8-17(9-7-16)34(22,28)29/h4-11,14H,2-3,12-13H2,1H3,(H2,22,28,29)/b11-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA1 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50344551
(4-(Nitrooxy)butyl-4-(aminosulfonyl)benzoate | CHEM...)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCCCCO[N+]([O-])=O Show InChI InChI=1S/C11H14N2O7S/c12-21(17,18)10-5-3-9(4-6-10)11(14)19-7-1-2-8-20-13(15)16/h3-6H,1-2,7-8H2,(H2,12,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50344553
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H22N2O10S/c1-30-19-14-15(5-11-20(24)31-12-2-3-13-32-23(26)27)4-10-18(19)33-21(25)16-6-8-17(9-7-16)34(22,28)29/h4-11,14H,2-3,12-13H2,1H3,(H2,22,28,29)/b11-5+ | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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B.MOAD
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CHEMBL
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PC cid
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| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50344560
(4-(4-sulfamoylphenoxy)butyl nitrate | CHEMBL177843...)Show InChI InChI=1S/C10H14N2O6S/c11-19(15,16)10-5-3-9(4-6-10)17-7-1-2-8-18-12(13)14/h3-6H,1-2,7-8H2,(H2,11,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50344554
(4-(nitrooxy)butyl 3-(N-(5-sulfamoyl-1,3,4-thiadiaz...)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(c2)C(=O)OCCCCO[N+]([O-])=O)s1 Show InChI InChI=1S/C13H15N5O9S3/c14-29(22,23)13-16-15-12(28-13)17-30(24,25)10-5-3-4-9(8-10)11(19)26-6-1-2-7-27-18(20)21/h3-5,8H,1-2,6-7H2,(H,15,17)(H2,14,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50344560
(4-(4-sulfamoylphenoxy)butyl nitrate | CHEMBL177843...)Show InChI InChI=1S/C10H14N2O6S/c11-19(15,16)10-5-3-9(4-6-10)17-7-1-2-8-18-12(13)14/h3-6H,1-2,7-8H2,(H2,11,15,16) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50344551
(4-(Nitrooxy)butyl-4-(aminosulfonyl)benzoate | CHEM...)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCCCCO[N+]([O-])=O Show InChI InChI=1S/C11H14N2O7S/c12-21(17,18)10-5-3-9(4-6-10)11(14)19-7-1-2-8-20-13(15)16/h3-6H,1-2,7-8H2,(H2,12,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50344554
(4-(nitrooxy)butyl 3-(N-(5-sulfamoyl-1,3,4-thiadiaz...)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(c2)C(=O)OCCCCO[N+]([O-])=O)s1 Show InChI InChI=1S/C13H15N5O9S3/c14-29(22,23)13-16-15-12(28-13)17-30(24,25)10-5-3-4-9(8-10)11(19)26-6-1-2-7-27-18(20)21/h3-5,8H,1-2,6-7H2,(H,15,17)(H2,14,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50344556
(4-(nitrooxy)butyl 4-(N-(5-sulfamoyl-1,3,4-thiadiaz...)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)C(=O)OCCCCO[N+]([O-])=O)s1 Show InChI InChI=1S/C13H15N5O9S3/c14-29(22,23)13-16-15-12(28-13)17-30(24,25)10-5-3-9(4-6-10)11(19)26-7-1-2-8-27-18(20)21/h3-6H,1-2,7-8H2,(H,15,17)(H2,14,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50344556
(4-(nitrooxy)butyl 4-(N-(5-sulfamoyl-1,3,4-thiadiaz...)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)C(=O)OCCCCO[N+]([O-])=O)s1 Show InChI InChI=1S/C13H15N5O9S3/c14-29(22,23)13-16-15-12(28-13)17-30(24,25)10-5-3-9(4-6-10)11(19)26-7-1-2-8-27-18(20)21/h3-6H,1-2,7-8H2,(H,15,17)(H2,14,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA1 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50344555
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1cccc(c1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C23H23N5O12S3/c1-37-19-13-15(8-10-20(29)38-11-2-3-12-39-28(31)32)7-9-18(19)40-21(30)16-5-4-6-17(14-16)43(35,36)27-22-25-26-23(41-22)42(24,33)34/h4-10,13-14H,2-3,11-12H2,1H3,(H,25,27)(H2,24,33,34)/b10-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50344557
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C23H23N5O12S3/c1-37-19-14-15(5-11-20(29)38-12-2-3-13-39-28(31)32)4-10-18(19)40-21(30)16-6-8-17(9-7-16)43(35,36)27-22-25-26-23(41-22)42(24,33)34/h4-11,14H,2-3,12-13H2,1H3,(H,25,27)(H2,24,33,34)/b11-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA4 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10883
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
| DrugBank
MMDB
PDB
Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50344554
(4-(nitrooxy)butyl 3-(N-(5-sulfamoyl-1,3,4-thiadiaz...)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(c2)C(=O)OCCCCO[N+]([O-])=O)s1 Show InChI InChI=1S/C13H15N5O9S3/c14-29(22,23)13-16-15-12(28-13)17-30(24,25)10-5-3-4-9(8-10)11(19)26-6-1-2-7-27-18(20)21/h3-5,8H,1-2,6-7H2,(H,15,17)(H2,14,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA1 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50344560
(4-(4-sulfamoylphenoxy)butyl nitrate | CHEMBL177843...)Show InChI InChI=1S/C10H14N2O6S/c11-19(15,16)10-5-3-9(4-6-10)17-7-1-2-8-18-12(13)14/h3-6H,1-2,7-8H2,(H2,11,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA1 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50344555
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1cccc(c1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C23H23N5O12S3/c1-37-19-13-15(8-10-20(29)38-11-2-3-12-39-28(31)32)7-9-18(19)40-21(30)16-5-4-6-17(14-16)43(35,36)27-22-25-26-23(41-22)42(24,33)34/h4-10,13-14H,2-3,11-12H2,1H3,(H,25,27)(H2,24,33,34)/b10-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50344557
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C23H23N5O12S3/c1-37-19-14-15(5-11-20(29)38-12-2-3-13-39-28(31)32)4-10-18(19)40-21(30)16-6-8-17(9-7-16)43(35,36)27-22-25-26-23(41-22)42(24,33)34/h4-11,14H,2-3,12-13H2,1H3,(H,25,27)(H2,24,33,34)/b11-5+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA1 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50344557
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C23H23N5O12S3/c1-37-19-14-15(5-11-20(29)38-12-2-3-13-39-28(31)32)4-10-18(19)40-21(30)16-6-8-17(9-7-16)43(35,36)27-22-25-26-23(41-22)42(24,33)34/h4-11,14H,2-3,12-13H2,1H3,(H,25,27)(H2,24,33,34)/b11-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50344551
(4-(Nitrooxy)butyl-4-(aminosulfonyl)benzoate | CHEM...)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCCCCO[N+]([O-])=O Show InChI InChI=1S/C11H14N2O7S/c12-21(17,18)10-5-3-9(4-6-10)11(14)19-7-1-2-8-20-13(15)16/h3-6H,1-2,7-8H2,(H2,12,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA4 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50344556
(4-(nitrooxy)butyl 4-(N-(5-sulfamoyl-1,3,4-thiadiaz...)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)C(=O)OCCCCO[N+]([O-])=O)s1 Show InChI InChI=1S/C13H15N5O9S3/c14-29(22,23)13-16-15-12(28-13)17-30(24,25)10-5-3-9(4-6-10)11(19)26-7-1-2-8-27-18(20)21/h3-6H,1-2,7-8H2,(H,15,17)(H2,14,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA4 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50344553
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H22N2O10S/c1-30-19-14-15(5-11-20(24)31-12-2-3-13-32-23(26)27)4-10-18(19)33-21(25)16-6-8-17(9-7-16)34(22,28)29/h4-11,14H,2-3,12-13H2,1H3,(H2,22,28,29)/b11-5+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA4 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10883
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
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MCE
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PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM10883
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14) | PDB
MMDB
NCI pathway
Reactome pathway
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM10884
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1 | PDB
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| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50344561
(5-(4-sulfamoylphenoxy)pentyl nitrate | CHEMBL17784...)Show InChI InChI=1S/C11H16N2O6S/c12-20(16,17)11-6-4-10(5-7-11)18-8-2-1-3-9-19-13(14)15/h4-7H,1-3,8-9H2,(H2,12,16,17) | PDB
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| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)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) | PDB
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PDB
Article
PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA4 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50344560
(4-(4-sulfamoylphenoxy)butyl nitrate | CHEMBL177843...)Show InChI InChI=1S/C10H14N2O6S/c11-19(15,16)10-5-3-9(4-6-10)17-7-1-2-8-18-12(13)14/h3-6H,1-2,7-8H2,(H2,11,15,16) | PDB
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| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA4 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50344559
(3-(4-sulfamoylphenoxy)propyl nitrate | CHEMBL17778...)Show InChI InChI=1S/C9H12N2O6S/c10-18(14,15)9-4-2-8(3-5-9)16-6-1-7-17-11(12)13/h2-5H,1,6-7H2,(H2,10,14,15) | PDB
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| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50344559
(3-(4-sulfamoylphenoxy)propyl nitrate | CHEMBL17778...)Show InChI InChI=1S/C9H12N2O6S/c10-18(14,15)9-4-2-8(3-5-9)16-6-1-7-17-11(12)13/h2-5H,1,6-7H2,(H2,10,14,15) | PDB
MMDB
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| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50344561
(5-(4-sulfamoylphenoxy)pentyl nitrate | CHEMBL17784...)Show InChI InChI=1S/C11H16N2O6S/c12-20(16,17)11-6-4-10(5-7-11)18-8-2-1-3-9-19-13(14)15/h4-7H,1-3,8-9H2,(H2,12,16,17) | PDB
MMDB
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| 85 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50344558
(4-(nitrooxy)butyl 3-(3-methoxy-4-(3-(4-sulfamoylph...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)CCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C23H26N2O10S/c1-32-21-16-18(8-12-22(26)33-14-2-3-15-34-25(28)29)6-11-20(21)35-23(27)13-7-17-4-9-19(10-5-17)36(24,30)31/h4-6,8-12,16H,2-3,7,13-15H2,1H3,(H2,24,30,31)/b12-8+ | PDB
MMDB
Reactome pathway
KEGG
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UniChem
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| Article
PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50344559
(3-(4-sulfamoylphenoxy)propyl nitrate | CHEMBL17778...)Show InChI InChI=1S/C9H12N2O6S/c10-18(14,15)9-4-2-8(3-5-9)16-6-1-7-17-11(12)13/h2-5H,1,6-7H2,(H2,10,14,15) | PDB
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| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50344561
(5-(4-sulfamoylphenoxy)pentyl nitrate | CHEMBL17784...)Show InChI InChI=1S/C11H16N2O6S/c12-20(16,17)11-6-4-10(5-7-11)18-8-2-1-3-9-19-13(14)15/h4-7H,1-3,8-9H2,(H2,12,16,17) | PDB
MMDB
Reactome pathway
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| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA4 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50344558
(4-(nitrooxy)butyl 3-(3-methoxy-4-(3-(4-sulfamoylph...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)CCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C23H26N2O10S/c1-32-21-16-18(8-12-22(26)33-14-2-3-15-34-25(28)29)6-11-20(21)35-23(27)13-7-17-4-9-19(10-5-17)36(24,30)31/h4-6,8-12,16H,2-3,7,13-15H2,1H3,(H2,24,30,31)/b12-8+ | PDB
MMDB
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Reactome pathway
KEGG
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| CHEMBL
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UniChem
Similars
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PubMed
| 93 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50344558
(4-(nitrooxy)butyl 3-(3-methoxy-4-(3-(4-sulfamoylph...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)CCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C23H26N2O10S/c1-32-21-16-18(8-12-22(26)33-14-2-3-15-34-25(28)29)6-11-20(21)35-23(27)13-7-17-4-9-19(10-5-17)36(24,30)31/h4-6,8-12,16H,2-3,7,13-15H2,1H3,(H2,24,30,31)/b12-8+ | PDB
MMDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50344561
(5-(4-sulfamoylphenoxy)pentyl nitrate | CHEMBL17784...)Show InChI InChI=1S/C11H16N2O6S/c12-20(16,17)11-6-4-10(5-7-11)18-8-2-1-3-9-19-13(14)15/h4-7H,1-3,8-9H2,(H2,12,16,17) | PDB
MMDB
Reactome pathway
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| CHEMBL
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UniChem
Similars
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PubMed
| 116 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50344555
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1cccc(c1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C23H23N5O12S3/c1-37-19-13-15(8-10-20(29)38-11-2-3-12-39-28(31)32)7-9-18(19)40-21(30)16-5-4-6-17(14-16)43(35,36)27-22-25-26-23(41-22)42(24,33)34/h4-10,13-14H,2-3,11-12H2,1H3,(H,25,27)(H2,24,33,34)/b10-8+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 137 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA1 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50344558
(4-(nitrooxy)butyl 3-(3-methoxy-4-(3-(4-sulfamoylph...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)CCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C23H26N2O10S/c1-32-21-16-18(8-12-22(26)33-14-2-3-15-34-25(28)29)6-11-20(21)35-23(27)13-7-17-4-9-19(10-5-17)36(24,30)31/h4-6,8-12,16H,2-3,7,13-15H2,1H3,(H2,24,30,31)/b12-8+ | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 139 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA4 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50344552
(4-(nitrooxymethyl)benzyl-4-sulfamoylbenzoate | CHE...)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1ccc(CO[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H14N2O7S/c16-25(21,22)14-7-5-13(6-8-14)15(18)23-9-11-1-3-12(4-2-11)10-24-17(19)20/h1-8H,9-10H2,(H2,16,21,22) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 147 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50344559
(3-(4-sulfamoylphenoxy)propyl nitrate | CHEMBL17778...)Show InChI InChI=1S/C9H12N2O6S/c10-18(14,15)9-4-2-8(3-5-9)16-6-1-7-17-11(12)13/h2-5H,1,6-7H2,(H2,10,14,15) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 148 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA4 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50344554
(4-(nitrooxy)butyl 3-(N-(5-sulfamoyl-1,3,4-thiadiaz...)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(c2)C(=O)OCCCCO[N+]([O-])=O)s1 Show InChI InChI=1S/C13H15N5O9S3/c14-29(22,23)13-16-15-12(28-13)17-30(24,25)10-5-3-4-9(8-10)11(19)26-6-1-2-7-27-18(20)21/h3-5,8H,1-2,6-7H2,(H,15,17)(H2,14,22,23) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 154 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA4 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50344551
(4-(Nitrooxy)butyl-4-(aminosulfonyl)benzoate | CHEM...)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCCCCO[N+]([O-])=O Show InChI InChI=1S/C11H14N2O7S/c12-21(17,18)10-5-3-9(4-6-10)11(14)19-7-1-2-8-20-13(15)16/h3-6H,1-2,7-8H2,(H2,12,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 165 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50344555
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1cccc(c1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C23H23N5O12S3/c1-37-19-13-15(8-10-20(29)38-11-2-3-12-39-28(31)32)7-9-18(19)40-21(30)16-5-4-6-17(14-16)43(35,36)27-22-25-26-23(41-22)42(24,33)34/h4-10,13-14H,2-3,11-12H2,1H3,(H,25,27)(H2,24,33,34)/b10-8+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 177 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50344551
(4-(Nitrooxy)butyl-4-(aminosulfonyl)benzoate | CHEM...)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCCCCO[N+]([O-])=O Show InChI InChI=1S/C11H14N2O7S/c12-21(17,18)10-5-3-9(4-6-10)11(14)19-7-1-2-8-20-13(15)16/h3-6H,1-2,7-8H2,(H2,12,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 189 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA1 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50344552
(4-(nitrooxymethyl)benzyl-4-sulfamoylbenzoate | CHE...)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1ccc(CO[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H14N2O7S/c16-25(21,22)14-7-5-13(6-8-14)15(18)23-9-11-1-3-12(4-2-11)10-24-17(19)20/h1-8H,9-10H2,(H2,16,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 198 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA2 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50344555
(2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxoprop-1-en...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)c1cccc(c1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C23H23N5O12S3/c1-37-19-13-15(8-10-20(29)38-11-2-3-12-39-28(31)32)7-9-18(19)40-21(30)16-5-4-6-17(14-16)43(35,36)27-22-25-26-23(41-22)42(24,33)34/h4-10,13-14H,2-3,11-12H2,1H3,(H,25,27)(H2,24,33,34)/b10-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 225 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA4 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50344554
(4-(nitrooxy)butyl 3-(N-(5-sulfamoyl-1,3,4-thiadiaz...)Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2cccc(c2)C(=O)OCCCCO[N+]([O-])=O)s1 Show InChI InChI=1S/C13H15N5O9S3/c14-29(22,23)13-16-15-12(28-13)17-30(24,25)10-5-3-4-9(8-10)11(19)26-6-1-2-7-27-18(20)21/h3-5,8H,1-2,6-7H2,(H,15,17)(H2,14,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 235 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50344552
(4-(nitrooxymethyl)benzyl-4-sulfamoylbenzoate | CHE...)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1ccc(CO[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H14N2O7S/c16-25(21,22)14-7-5-13(6-8-14)15(18)23-9-11-1-3-12(4-2-11)10-24-17(19)20/h1-8H,9-10H2,(H2,16,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 242 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA1 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| Purchase
CHEMBL
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PC sid
PDB
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| DrugBank
PDB
Article
PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA1 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50344552
(4-(nitrooxymethyl)benzyl-4-sulfamoylbenzoate | CHE...)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1ccc(CO[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H14N2O7S/c16-25(21,22)14-7-5-13(6-8-14)15(18)23-9-11-1-3-12(4-2-11)10-24-17(19)20/h1-8H,9-10H2,(H2,16,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 253 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CA9 catalytic domain by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM50344552
(4-(nitrooxymethyl)benzyl-4-sulfamoylbenzoate | CHE...)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1ccc(CO[N+]([O-])=O)cc1 Show InChI InChI=1S/C15H14N2O7S/c16-25(21,22)14-7-5-13(6-8-14)15(18)23-9-11-1-3-12(4-2-11)10-24-17(19)20/h1-8H,9-10H2,(H2,16,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 345 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA4 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50344558
(4-(nitrooxy)butyl 3-(3-methoxy-4-(3-(4-sulfamoylph...)Show SMILES COc1cc(\C=C\C(=O)OCCCCO[N+]([O-])=O)ccc1OC(=O)CCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C23H26N2O10S/c1-32-21-16-18(8-12-22(26)33-14-2-3-15-34-25(28)29)6-11-20(21)35-23(27)13-7-17-4-9-19(10-5-17)36(24,30)31/h4-6,8-12,16H,2-3,7,13-15H2,1H3,(H2,24,30,31)/b12-8+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 395 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA1 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50344559
(3-(4-sulfamoylphenoxy)propyl nitrate | CHEMBL17778...)Show InChI InChI=1S/C9H12N2O6S/c10-18(14,15)9-4-2-8(3-5-9)16-6-1-7-17-11(12)13/h2-5H,1,6-7H2,(H2,10,14,15) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 587 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA1 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50344561
(5-(4-sulfamoylphenoxy)pentyl nitrate | CHEMBL17784...)Show InChI InChI=1S/C11H16N2O6S/c12-20(16,17)11-6-4-10(5-7-11)18-8-2-1-3-9-19-13(14)15/h4-7H,1-3,8-9H2,(H2,12,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA1 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10883
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14) | PDB
MMDB
NCI pathway
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KEGG
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PDB
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| DrugBank
Article
PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA1 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM10884
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1 | PDB
MMDB
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DrugBank
MCE
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PC cid
PC sid
PDB
UniChem
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Similars
| DrugBank
MMDB
PDB
Article
PubMed
| 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA4 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Carbonic anhydrase 4
(Homo sapiens (Human)) | BDBM10883
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14) | PDB
MMDB
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KEGG
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| Purchase
CHEMBL
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PC cid
PC sid
PDB
UniChem
Patents
| DrugBank
Article
PubMed
| 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA4 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10884
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| Purchase
DrugBank
MCE
KEGG
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
U.O. Oculistica Az. USL 3
Curated by ChEMBL
| Assay Description
Inhibition of human CA1 by CO2 hydration assay |
Bioorg Med Chem Lett 21: 3216-21 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ |
More data for this
Ligand-Target Pair | |
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