Found 32 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)) | BDBM50118192
(CHEMBL3613286)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H19N4O10PS/c15-30(25,26)8-3-1-7(2-4-8)9-5-18(17-16-9)14-13(21)12(20)11(19)10(28-14)6-27-29(22,23)24/h1-5,10-14,19-21H,6H2,(H2,15,25,26)(H2,22,23,24)/t10-,11-,12+,13-,14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 7
(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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| DrugBank PDB Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-7 (unknown origin) |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50118208
(CHEMBL3613283)Show SMILES CC(=O)O[C@@H]1[C@@H](COP2(=O)OCc3ccccc3O2)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C27H29N4O13PS/c1-15(32)40-24-23(14-39-45(35)38-13-19-6-4-5-7-22(19)44-45)43-27(26(42-17(3)34)25(24)41-16(2)33)31-12-21(29-30-31)18-8-10-20(11-9-18)46(28,36)37/h4-12,23-27H,13-14H2,1-3H3,(H2,28,36,37)/t23-,24-,25+,26-,27-,45?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
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 KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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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 |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-12 (unknown origin) |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50118207
(CHEMBL3613284)Show SMILES CC(=O)O[C@@H]1[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C34H49N4O15PS3/c1-20(39)50-27-26(19-49-54(44,47-14-16-55-31(42)33(4,5)6)48-15-17-56-32(43)34(7,8)9)53-30(29(52-22(3)41)28(27)51-21(2)40)38-18-25(36-37-38)23-10-12-24(13-11-23)57(35,45)46/h10-13,18,26-30H,14-17,19H2,1-9H3,(H2,35,45,46)/t26-,27-,28+,29-,30-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 6
(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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-6 (unknown origin) |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| DrugBank MMDB PDB Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-2 (unknown origin) |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 13
(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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-13 (unknown origin) |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-9 (unknown origin) |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 14
(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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB Article PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-14 (unknown origin) |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50118208
(CHEMBL3613283)Show SMILES CC(=O)O[C@@H]1[C@@H](COP2(=O)OCc3ccccc3O2)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C27H29N4O13PS/c1-15(32)40-24-23(14-39-45(35)38-13-19-6-4-5-7-22(19)44-45)43-27(26(42-17(3)34)25(24)41-16(2)33)31-12-21(29-30-31)18-8-10-20(11-9-18)46(28,36)37/h4-12,23-27H,13-14H2,1-3H3,(H2,28,36,37)/t23-,24-,25+,26-,27-,45?/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50118209
(CHEMBL3613287)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H14NO10PS/c7-19(14,15)6-5(10)4(9)3(8)2(17-6)1-16-18(11,12)13/h2-6,8-10H,1H2,(H2,7,14,15)(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 5B, mitochondrial
(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) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-5B (unknown origin) |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 5A, mitochondrial
(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) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-5A (unknown origin) |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| DrugBank PDB Article PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-4 (unknown origin) |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50118207
(CHEMBL3613284)Show SMILES CC(=O)O[C@@H]1[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C34H49N4O15PS3/c1-20(39)50-27-26(19-49-54(44,47-14-16-55-31(42)33(4,5)6)48-15-17-56-32(43)34(7,8)9)53-30(29(52-22(3)41)28(27)51-21(2)40)38-18-25(36-37-38)23-10-12-24(13-11-23)57(35,45)46/h10-13,18,26-30H,14-17,19H2,1-9H3,(H2,35,45,46)/t26-,27-,28+,29-,30-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50118206
(CHEMBL3613285)Show SMILES CC(=O)O[C@@H]1[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)S(N)(=O)=O |r| Show InChI InChI=1S/C26H44NO15PS3/c1-15(28)39-19-18(42-22(46(27,34)35)21(41-17(3)30)20(19)40-16(2)29)14-38-43(33,36-10-12-44-23(31)25(4,5)6)37-11-13-45-24(32)26(7,8)9/h18-22H,10-14H2,1-9H3,(H2,27,34,35)/t18-,19-,20+,21-,22+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50118192
(CHEMBL3613286)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H19N4O10PS/c15-30(25,26)8-3-1-7(2-4-8)9-5-18(17-16-9)14-13(21)12(20)11(19)10(28-14)6-27-29(22,23)24/h1-5,10-14,19-21H,6H2,(H2,15,25,26)(H2,22,23,24)/t10-,11-,12+,13-,14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50118208
(CHEMBL3613283)Show SMILES CC(=O)O[C@@H]1[C@@H](COP2(=O)OCc3ccccc3O2)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C27H29N4O13PS/c1-15(32)40-24-23(14-39-45(35)38-13-19-6-4-5-7-22(19)44-45)43-27(26(42-17(3)34)25(24)41-16(2)33)31-12-21(29-30-31)18-8-10-20(11-9-18)46(28,36)37/h4-12,23-27H,13-14H2,1-3H3,(H2,28,36,37)/t23-,24-,25+,26-,27-,45?/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-9 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50118209
(CHEMBL3613287)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H14NO10PS/c7-19(14,15)6-5(10)4(9)3(8)2(17-6)1-16-18(11,12)13/h2-6,8-10H,1H2,(H2,7,14,15)(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50118207
(CHEMBL3613284)Show SMILES CC(=O)O[C@@H]1[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C34H49N4O15PS3/c1-20(39)50-27-26(19-49-54(44,47-14-16-55-31(42)33(4,5)6)48-15-17-56-32(43)34(7,8)9)53-30(29(52-22(3)41)28(27)51-21(2)40)38-18-25(36-37-38)23-10-12-24(13-11-23)57(35,45)46/h10-13,18,26-30H,14-17,19H2,1-9H3,(H2,35,45,46)/t26-,27-,28+,29-,30-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-9 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50118206
(CHEMBL3613285)Show SMILES CC(=O)O[C@@H]1[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)S(N)(=O)=O |r| Show InChI InChI=1S/C26H44NO15PS3/c1-15(28)39-19-18(42-22(46(27,34)35)21(41-17(3)30)20(19)40-16(2)29)14-38-43(33,36-10-12-44-23(31)25(4,5)6)37-11-13-45-24(32)26(7,8)9/h18-22H,10-14H2,1-9H3,(H2,27,34,35)/t18-,19-,20+,21-,22+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 154 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-9 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50118209
(CHEMBL3613287)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H14NO10PS/c7-19(14,15)6-5(10)4(9)3(8)2(17-6)1-16-18(11,12)13/h2-6,8-10H,1H2,(H2,7,14,15)(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 213 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-9 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50118192
(CHEMBL3613286)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H19N4O10PS/c15-30(25,26)8-3-1-7(2-4-8)9-5-18(17-16-9)14-13(21)12(20)11(19)10(28-14)6-27-29(22,23)24/h1-5,10-14,19-21H,6H2,(H2,15,25,26)(H2,22,23,24)/t10-,11-,12+,13-,14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 248 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-9 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-1 (unknown origin) |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50118208
(CHEMBL3613283)Show SMILES CC(=O)O[C@@H]1[C@@H](COP2(=O)OCc3ccccc3O2)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C27H29N4O13PS/c1-15(32)40-24-23(14-39-45(35)38-13-19-6-4-5-7-22(19)44-45)43-27(26(42-17(3)34)25(24)41-16(2)33)31-12-21(29-30-31)18-8-10-20(11-9-18)46(28,36)37/h4-12,23-27H,13-14H2,1-3H3,(H2,28,36,37)/t23-,24-,25+,26-,27-,45?/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 437 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50118207
(CHEMBL3613284)Show SMILES CC(=O)O[C@@H]1[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C34H49N4O15PS3/c1-20(39)50-27-26(19-49-54(44,47-14-16-55-31(42)33(4,5)6)48-15-17-56-32(43)34(7,8)9)53-30(29(52-22(3)41)28(27)51-21(2)40)38-18-25(36-37-38)23-10-12-24(13-11-23)57(35,45)46/h10-13,18,26-30H,14-17,19H2,1-9H3,(H2,35,45,46)/t26-,27-,28+,29-,30-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 528 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50118192
(CHEMBL3613286)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H19N4O10PS/c15-30(25,26)8-3-1-7(2-4-8)9-5-18(17-16-9)14-13(21)12(20)11(19)10(28-14)6-27-29(22,23)24/h1-5,10-14,19-21H,6H2,(H2,15,25,26)(H2,22,23,24)/t10-,11-,12+,13-,14-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 564 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50118206
(CHEMBL3613285)Show SMILES CC(=O)O[C@@H]1[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)S(N)(=O)=O |r| Show InChI InChI=1S/C26H44NO15PS3/c1-15(28)39-19-18(42-22(46(27,34)35)21(41-17(3)30)20(19)40-16(2)29)14-38-43(33,36-10-12-44-23(31)25(4,5)6)37-11-13-45-24(32)26(7,8)9/h18-22H,10-14H2,1-9H3,(H2,27,34,35)/t18-,19-,20+,21-,22+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50118206
(CHEMBL3613285)Show SMILES CC(=O)O[C@@H]1[C@@H](COP(=O)(OCCSC(=O)C(C)(C)C)OCCSC(=O)C(C)(C)C)O[C@H]([C@H](OC(C)=O)[C@H]1OC(C)=O)S(N)(=O)=O |r| Show InChI InChI=1S/C26H44NO15PS3/c1-15(28)39-19-18(42-22(46(27,34)35)21(41-17(3)30)20(19)40-16(2)29)14-38-43(33,36-10-12-44-23(31)25(4,5)6)37-11-13-45-24(32)26(7,8)9/h18-22H,10-14H2,1-9H3,(H2,27,34,35)/t18-,19-,20+,21-,22+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50118209
(CHEMBL3613287)Show SMILES NS(=O)(=O)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H14NO10PS/c7-19(14,15)6-5(10)4(9)3(8)2(17-6)1-16-18(11,12)13/h2-6,8-10H,1H2,(H2,7,14,15)(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 922 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 by stopped-flow CO2 hydration assay |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 3
(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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University
Curated by ChEMBL
| Assay Description Inhibition of carbonic anhydrase-3 (unknown origin) |
J Med Chem 58: 7580-90 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01228 BindingDB Entry DOI: 10.7270/Q2QC0591 |
More data for this Ligand-Target Pair | |