Found 16644 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50114862
 (CHEMBL3608874)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C(=O)N1CCOCC1 Show InChI InChI=1S/C14H15N3O5S/c15-23(19,20)11-3-1-10(2-4-11)12-9-16-13(22-12)14(18)17-5-7-21-8-6-17/h1-4,9H,5-8H2,(H2,15,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Saint Petersburg State University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method |
Eur J Med Chem 101: 334-47 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.022 BindingDB Entry DOI: 10.7270/Q2W95BZC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50114861
 (CHEMBL3608873)Show InChI InChI=1S/C14H15N3O4S/c15-22(19,20)11-5-3-10(4-6-11)12-9-16-13(21-12)14(18)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H2,15,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Saint Petersburg State University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method |
Eur J Med Chem 101: 334-47 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.022 BindingDB Entry DOI: 10.7270/Q2W95BZC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50114853
 (CHEMBL3608890)Show InChI InChI=1S/C8H8N2O3S2/c1-5-10-3-7(13-5)6-2-8(14-4-6)15(9,11)12/h2-4H,1H3,(H2,9,11,12) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Saint Petersburg State University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method |
Eur J Med Chem 101: 334-47 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.022 BindingDB Entry DOI: 10.7270/Q2W95BZC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50114857
 (CHEMBL3608894)Show InChI InChI=1S/C12H13N3O5S2/c13-22(17,18)10-5-8(7-21-10)9-6-14-11(20-9)12(16)15-1-3-19-4-2-15/h5-7H,1-4H2,(H2,13,17,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Saint Petersburg State University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method |
Eur J Med Chem 101: 334-47 (2015)
Article DOI: 10.1016/j.ejmech.2015.06.022 BindingDB Entry DOI: 10.7270/Q2W95BZC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50252992
 (CHEMBL4100496)Show SMILES Clc1ccc(cc1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16ClN5O2S2/c22-15-8-6-14(7-9-15)18-11-10-17(29-18)12-23-25-19(28)13-30-21-27-26-20(31-21)24-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,26)(H,25,28)/b23-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Anadolu University
Curated by ChEMBL
| Assay Description Competitive inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by Lineweave... |
Bioorg Med Chem 25: 3547-3554 (2017)
Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50252993
 (CHEMBL4073678)Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16N6O4S2/c28-19(13-32-21-26-25-20(33-21)23-14-6-2-1-3-7-14)24-22-12-15-10-11-18(31-15)16-8-4-5-9-17(16)27(29)30/h1-12H,13H2,(H,23,25)(H,24,28)/b22-12+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Anadolu University
Curated by ChEMBL
| Assay Description Non-competitive inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by Linew... |
Bioorg Med Chem 25: 3547-3554 (2017)
Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50492460
 (CHEMBL2402776)Show InChI InChI=1S/C15H15ClN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bezmialem Vakif University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 5228-32 (2013)
Article DOI: 10.1016/j.bmc.2013.06.029 BindingDB Entry DOI: 10.7270/Q2CJ8HFM |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(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 UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
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| DrugBank PDB Article PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 dehydration method |
Bioorg Med Chem 24: 104-12 (2016)
Article DOI: 10.1016/j.bmc.2015.11.031 BindingDB Entry DOI: 10.7270/Q2222XRQ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Carbonic Anhydrase XIV
(Homo sapiens (Human)) | BDBM50133408
 (CHEMBL3632844)Show SMILES Nc1ccc(cc1)C(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16N2O3S/c20-17-9-5-16(6-10-17)19(22)15-3-1-13(2-4-15)14-7-11-18(12-8-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method |
J Med Chem 58: 8564-72 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01144 BindingDB Entry DOI: 10.7270/Q2FF3V5V |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10860
 (4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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| Article PubMed
| 0.300 | 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 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 20: 2392-404 (2012)
Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10860
 (4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 0.300 | 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 recombinant CA12 by stopped flow CO2 hydration assay |
J Med Chem 53: 2913-26 (2010)
Article DOI: 10.1021/jm901888x BindingDB Entry DOI: 10.7270/Q2DN460W |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10860
 (4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kochi Medical School
Curated by ChEMBL
| Assay Description Inhibitory constant against catalytic domain of human carbonic anhydrase XII |
Bioorg Med Chem Lett 15: 3828-33 (2005)
Article DOI: 10.1016/j.bmcl.2005.06.055 BindingDB Entry DOI: 10.7270/Q2C82B2K |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10860
 (4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Ki value against human carbonic anhydrase XII (hCA XII) |
Bioorg Med Chem Lett 15: 963-9 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM11028
 (1-Acetamido-5-sulfonamidoindane | CHEMBL359768 | I...)Show InChI InChI=1S/C11H14N2O3S/c1-7(14)13-11-5-2-8-6-9(17(12,15)16)3-4-10(8)11/h3-4,6,11H,2,5H2,1H3,(H,13,14)(H2,12,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 by CO2 hydration assay |
Eur J Med Chem 43: 2853-60 (2008)
Article DOI: 10.1016/j.ejmech.2008.02.018 BindingDB Entry DOI: 10.7270/Q2Z03922 |
More data for this Ligand-Target Pair | |
Carbonic Anhydrase XIV
(Homo sapiens (Human)) | BDBM50133390
 (CHEMBL3632826)Show SMILES CC(C)(C)OC(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H19NO4S/c1-17(2,3)22-16(19)14-6-4-12(5-7-14)13-8-10-15(11-9-13)23(18,20)21/h4-11H,1-3H3,(H2,18,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method |
J Med Chem 58: 8564-72 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01144 BindingDB Entry DOI: 10.7270/Q2FF3V5V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50153971
 (4-(4,6-Dichloro-[1,3,5]triazin-2-ylamino)-benzenes...)Show InChI InChI=1S/C9H7Cl2N5O2S/c10-7-14-8(11)16-9(15-7)13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H,13,14,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration method |
Bioorg Med Chem 19: 3105-19 (2011)
Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50155554
 (5-Chloro-2-methoxy-N-(5-sulfamoyl-indan-2-yl)-benz...)Show SMILES COc1ccc(Cl)cc1C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1S/C17H17ClN2O4S/c1-24-16-5-3-12(18)9-15(16)17(21)20-13-6-10-2-4-14(25(19,22)23)8-11(10)7-13/h2-5,8-9,13H,6-7H2,1H3,(H,20,21)(H2,19,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 by CO2 hydration assay |
Eur J Med Chem 43: 2853-60 (2008)
Article DOI: 10.1016/j.ejmech.2008.02.018 BindingDB Entry DOI: 10.7270/Q2Z03922 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50252996
 (CHEMBL4097972)Show SMILES Clc1ccc(-c2ccc(\C=N\NC(=O)CSc3nnc(Nc4ccccc4)s3)o2)c(Cl)c1 Show InChI InChI=1S/C21H15Cl2N5O2S2/c22-13-6-8-16(17(23)10-13)18-9-7-15(30-18)11-24-26-19(29)12-31-21-28-27-20(32-21)25-14-4-2-1-3-5-14/h1-11H,12H2,(H,25,27)(H,26,29)/b24-11+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Anadolu University
Curated by ChEMBL
| Assay Description Competitive inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by Lineweave... |
Bioorg Med Chem 25: 3547-3554 (2017)
Article DOI: 10.1016/j.bmc.2017.05.005 BindingDB Entry DOI: 10.7270/Q28G8P41 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50155556
 (2,3-dihydro-1H-indene-5-sulfonamide | CHEMBL364869...)Show InChI InChI=1S/C9H11NO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,10,11,12) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
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| Article PubMed
| 0.390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 by CO2 hydration assay |
Eur J Med Chem 43: 2853-60 (2008)
Article DOI: 10.1016/j.ejmech.2008.02.018 BindingDB Entry DOI: 10.7270/Q2Z03922 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222056
 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(2-bromophenyl)acryloy...)Show SMILES Brc1ccccc1\C=C\C(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O Show InChI InChI=1S/C24H18BrNO3/c25-19-4-2-1-3-14(19)9-12-20(27)15-7-10-18(11-8-15)26-23(28)21-16-5-6-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-9+/t16-,17+,21-,22+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 0.405 | -53.6 | 0.573 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic Anhydrase XIV
(Homo sapiens (Human)) | BDBM50133394
 (CHEMBL3632830)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C12H10N2O4S/c13-19(17,18)12-7-3-10(4-8-12)9-1-5-11(6-2-9)14(15)16/h1-8H,(H2,13,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method |
J Med Chem 58: 8564-72 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01144 BindingDB Entry DOI: 10.7270/Q2FF3V5V |
More data for this Ligand-Target Pair | |
Carbonic Anhydrase XIV
(Homo sapiens (Human)) | BDBM50133400
 (CHEMBL3632836)Show SMILES COC(=O)c1ccc(cc1)C(O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H19NO5S/c1-27-21(24)18-8-6-17(7-9-18)20(23)16-4-2-14(3-5-16)15-10-12-19(13-11-15)28(22,25)26/h2-13,20,23H,1H3,(H2,22,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sapienza University of Rome
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method |
J Med Chem 58: 8564-72 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01144 BindingDB Entry DOI: 10.7270/Q2FF3V5V |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50492476
 (CHEMBL1518649)Show InChI InChI=1S/C17H20N2O4S/c1-23-15-6-2-14(3-7-15)12-17(20)19-11-10-13-4-8-16(9-5-13)24(18,21)22/h2-9H,10-12H2,1H3,(H,19,20)(H2,18,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bezmialem Vakif University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 5228-32 (2013)
Article DOI: 10.1016/j.bmc.2013.06.029 BindingDB Entry DOI: 10.7270/Q2CJ8HFM |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50155552
 (4-Chloro-N-(5-sulfamoyl-indan-2-yl)-benzamide | 4-...)Show SMILES NS(=O)(=O)c1ccc2CC(Cc2c1)NC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H15ClN2O3S/c17-13-4-1-10(2-5-13)16(20)19-14-7-11-3-6-15(23(18,21)22)9-12(11)8-14/h1-6,9,14H,7-8H2,(H,19,20)(H2,18,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 by CO2 hydration assay |
Eur J Med Chem 43: 2853-60 (2008)
Article DOI: 10.1016/j.ejmech.2008.02.018 BindingDB Entry DOI: 10.7270/Q2Z03922 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222054
 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-bromophenyl)acryloy...)Show SMILES Brc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1 Show InChI InChI=1S/C24H18BrNO3/c25-18-8-1-14(2-9-18)3-12-20(27)15-6-10-19(11-7-15)26-23(28)21-16-4-5-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-3+/t16-,17+,21-,22+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 0.442 | -53.4 | 0.466 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50106422
 (CHEMBL3601892)Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2cccs2)n1C1CCCCC1 Show InChI InChI=1S/C19H21N3O2S3/c20-27(23,24)16-10-8-14(9-11-16)21-19-22(15-5-2-1-3-6-15)17(13-26-19)18-7-4-12-25-18/h4,7-13,15H,1-3,5-6H2,(H2,20,23,24)/b21-19- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cagliari
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 |
Bioorg Med Chem Lett 25: 3281-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.076 BindingDB Entry DOI: 10.7270/Q2RB76CZ |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222047
 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(3-methoxyphenyl)acryl...)Show SMILES COc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1 Show InChI InChI=1S/C25H21NO4/c1-30-20-4-2-3-15(13-20)5-12-21(27)16-8-10-19(11-9-16)26-24(28)22-17-6-7-18(14-17)23(22)25(26)29/h2-13,17-18,22-23H,14H2,1H3/b12-5+/t17-,18+,22-,23+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 0.469 | -53.2 | 0.606 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic Anhydrase XIV
(Homo sapiens (Human)) | BDBM50155550
 (2,3,5,6-Tetrafluoro-N-(5-sulfamoyl-indan-2-yl)-ben...)Show SMILES NS(=O)(=O)c1ccc2CC(Cc2c1)NC(=O)c1c(F)c(F)cc(F)c1F Show InChI InChI=1S/C16H12F4N2O3S/c17-11-6-12(18)15(20)13(14(11)19)16(23)22-9-3-7-1-2-10(26(21,24)25)5-8(7)4-9/h1-2,5-6,9H,3-4H2,(H,22,23)(H2,21,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Namur
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 14 by CO2 hydration assay |
Eur J Med Chem 43: 2853-60 (2008)
Article DOI: 10.1016/j.ejmech.2008.02.018 BindingDB Entry DOI: 10.7270/Q2Z03922 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107340
 (CHEMBL3601395)Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C25H22BrClN6O4S2/c1-15-24(25(27)33(30-15)19-8-12-21(13-9-19)39(29,36)37)23-14-22(16-2-4-17(26)5-3-16)31-32(23)18-6-10-20(11-7-18)38(28,34)35/h2-13,23H,14H2,1H3,(H2,28,34,35)(H2,29,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50147171
 (CHEMBL3764657)Show SMILES COc1ccc2NC(=O)\C(=N/c3ccc(cc3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C22H18N4O5S/c1-31-16-8-11-19-18(12-16)20(22(28)26-19)24-14-4-2-13(3-5-14)21(27)25-15-6-9-17(10-7-15)32(23,29)30/h2-12H,1H3,(H,25,27)(H2,23,29,30)(H,24,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Egyptian Russian University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay |
Eur J Med Chem 110: 259-66 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.030 BindingDB Entry DOI: 10.7270/Q2D79D8Q |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50190142
 (CHEMBL3828241)Show SMILES COc1ccc2c(c1)nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-14-15(10-12)19-17(25)20(16(14)21)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay |
Bioorg Med Chem 24: 4100-4107 (2016)
Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222051
 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-chlorophenyl)acrylo...)Show SMILES Clc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1 Show InChI InChI=1S/C24H18ClNO3/c25-18-8-1-14(2-9-18)3-12-20(27)15-6-10-19(11-7-15)26-23(28)21-16-4-5-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-3+/t16-,17+,21-,22+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 0.475 | -53.2 | 0.506 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Drosophila melanogaster) | BDBM50428443
 (CHEMBL2334360)Show InChI InChI=1S/C5H5NS3/c7-5(8)6-4-2-1-3-9-4/h1-3H,(H2,6,7,8)/p-1 | Reactome pathway KEGG
UniProtKB/TrEMBL
GoogleScholar
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tampere and Tampere University Hospital
Curated by ChEMBL
| Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra... |
Bioorg Med Chem 21: 1516-21 (2013)
Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50395391
 (CHEMBL2164737)Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H23N5O7S3/c22-34(28,29)19-9-1-15(2-10-19)13-14-24-21(27)16-3-5-17(6-4-16)25-35(30,31)20-11-7-18(8-12-20)26-36(23,32)33/h1-12,25-26H,13-14H2,(H,24,27)(H2,22,28,29)(H2,23,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Biostrutture e Bioimmagini-CNR
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA12 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay |
J Med Chem 55: 6776-83 (2012)
Article DOI: 10.1021/jm300818k BindingDB Entry DOI: 10.7270/Q2736S2H |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222055
 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(3-bromophenyl)acryloy...)Show SMILES Brc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1 Show InChI InChI=1S/C24H18BrNO3/c25-18-3-1-2-14(12-18)4-11-20(27)15-7-9-19(10-8-15)26-23(28)21-16-5-6-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b11-4+/t16-,17+,21-,22+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 0.501 | -53.1 | 0.597 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222046
 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-methoxyphenyl)acryl...)Show SMILES COc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1 Show InChI InChI=1S/C25H21NO4/c1-30-20-11-2-15(3-12-20)4-13-21(27)16-7-9-19(10-8-16)26-24(28)22-17-5-6-18(14-17)23(22)25(26)29/h2-13,17-18,22-23H,14H2,1H3/b13-4+/t17-,18+,22-,23+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 0.513 | -53.0 | 0.639 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222052
 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(3-chlorophenyl)acrylo...)Show SMILES Clc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1 Show InChI InChI=1S/C24H18ClNO3/c25-18-3-1-2-14(12-18)4-11-20(27)15-7-9-19(10-8-15)26-23(28)21-16-5-6-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b11-4+/t16-,17+,21-,22+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 0.518 | -53.0 | 0.619 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50387151
 (4-ureidophenyl sulfamate ring derivative 3ao | CHE...)Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NC2c3ccccc3-c3ccccc23)cc1 Show InChI InChI=1S/C20H17N3O4S/c21-28(25,26)27-14-11-9-13(10-12-14)22-20(24)23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H2,21,25,26)(H2,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Romanian Academy
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 |
Bioorg Med Chem 21: 1404-9 (2013)
Article DOI: 10.1016/j.bmc.2012.11.004 BindingDB Entry DOI: 10.7270/Q2XW4M4Q |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50185304
 (SULFASUCCINAMIDE | Sulfasuccinamide)Show InChI InChI=1S/C10H12N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay |
J Med Chem 59: 5077-88 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00492 BindingDB Entry DOI: 10.7270/Q2HT2R80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222049
 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(m-tolyl)acryloyl)phen...)Show SMILES Cc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1 Show InChI InChI=1S/C25H21NO3/c1-15-3-2-4-16(13-15)5-12-21(27)17-8-10-20(11-9-17)26-24(28)22-18-6-7-19(14-18)23(22)25(26)29/h2-13,18-19,22-23H,14H2,1H3/b12-5+/t18-,19+,22-,23+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 0.523 | -53.0 | 0.579 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM222050
 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(o-tolyl)acryloyl)phen...)Show SMILES Cc1ccccc1\C=C\C(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O Show InChI InChI=1S/C25H21NO3/c1-15-4-2-3-5-16(15)10-13-21(27)17-8-11-20(12-9-17)26-24(28)22-18-6-7-19(14-18)23(22)25(26)29/h2-13,18-19,22-23H,14H2,1H3/b13-10+/t18-,19+,22-,23+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 0.529 | -52.9 | 0.537 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Cumhuriyet University
| Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr... |
Bioorg Chem 70: 118-125 (2017)
Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50428841
 (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+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM152638
 (4-(1,3-Dioxoisoindolin-2-yl)benzenesulphonamide (1...)Show InChI InChI=1S/C30H24N4S/c35-30(33-21-8-2-1-3-9-21)34-22-16-14-20(15-17-22)29(25-18-31-27-12-6-4-10-23(25)27)26-19-32-28-13-7-5-11-24(26)28/h1-19,29,31-32H,(H2,33,34,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
King Saud University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 24: 5185-9 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.076 BindingDB Entry DOI: 10.7270/Q25Q4XP2 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50387153
 (CHEMBL2047835)Show InChI InChI=1S/C17H15N3O4S/c18-25(22,23)24-16-9-7-14(8-10-16)19-17(21)20-15-6-5-12-3-1-2-4-13(12)11-15/h1-11H,(H2,18,22,23)(H2,19,20,21) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.537 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Romanian Academy
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-1 |
Bioorg Med Chem 21: 1404-9 (2013)
Article DOI: 10.1016/j.bmc.2012.11.004 BindingDB Entry DOI: 10.7270/Q2XW4M4Q |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50233597
 (CHEMBL4091363)Show InChI InChI=1S/C13H14Br2O4/c1-18-10-5-9(14)8(11(15)12(10)19-2)4-6-3-7(6)13(16)17/h5-7H,3-4H2,1-2H3,(H,16,17)/t6-,7-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Atat£rk University
Curated by ChEMBL
| Assay Description Inhibition of human CA1 using para-nitrophenylacetate as substrate measured over 3 mins by UV-vis spectrophotometric method |
J Med Chem 58: 640-50 (2015)
Article DOI: 10.1021/jm501573b BindingDB Entry DOI: 10.7270/Q2PR7Z6B |
More data for this Ligand-Target Pair | |
Carbonic anhydrase
(Homo sapiens (Human)) | BDBM50492481
 (CHEMBL2402754)Show InChI InChI=1S/C15H15BrN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bezmialem Vakif University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 5228-32 (2013)
Article DOI: 10.1016/j.bmc.2013.06.029 BindingDB Entry DOI: 10.7270/Q2CJ8HFM |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50107373
 (CHEMBL3601461)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)C(C)=O Show InChI InChI=1S/C22H22ClN5O4S/c1-13-21(22(23)28(25-13)16-6-10-18(11-7-16)33(24,30)31)20-12-19(26-27(20)14(2)29)15-4-8-17(32-3)9-5-15/h4-11,20H,12H2,1-3H3,(H2,24,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem Lett 25: 3208-12 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50147167
 (CHEMBL3764098)Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C21H15ClN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Egyptian Russian University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay |
Eur J Med Chem 110: 259-66 (2016)
Article DOI: 10.1016/j.ejmech.2016.01.030 BindingDB Entry DOI: 10.7270/Q2D79D8Q |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50171190
 (CHEMBL3804902)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(\C=N/Nc2nc(cs2)-c2cc3ccccc3oc2=O)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H19FN6O4S2/c29-20-7-5-17(6-8-20)26-19(15-35(34-26)21-9-11-22(12-10-21)41(30,37)38)14-31-33-28-32-24(16-40-28)23-13-18-3-1-2-4-25(18)39-27(23)36/h1-16H,(H,32,33)(H2,30,37,38)/b31-14- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 24: 2882-2886 (2016)
Article DOI: 10.1016/j.bmc.2016.04.052 BindingDB Entry DOI: 10.7270/Q2F47R2P |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50171191
 (CHEMBL3806054)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(\C=N/Nc2nc(cs2)-c2cc3cc(Cl)ccc3oc2=O)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H18ClFN6O4S2/c29-19-3-10-25-17(11-19)12-23(27(37)40-25)24-15-41-28(33-24)34-32-13-18-14-36(21-6-8-22(9-7-21)42(31,38)39)35-26(18)16-1-4-20(30)5-2-16/h1-15H,(H,33,34)(H2,31,38,39)/b32-13- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kurukshetra University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 12 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay |
Bioorg Med Chem 24: 2882-2886 (2016)
Article DOI: 10.1016/j.bmc.2016.04.052 BindingDB Entry DOI: 10.7270/Q2F47R2P |
More data for this Ligand-Target Pair | |