Found 435 hits with Last Name = 'deplano' and Initial = 'a' 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)) | BDBM50515806
(CHEMBL4533252)Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(OS(N)(=O)=O)cc1)C(C)=O |t:9| Show InChI InChI=1S/C18H19N3O5S/c1-12(22)21-18(14-5-9-16(10-6-14)26-27(19,23)24)11-17(20-21)13-3-7-15(25-2)8-4-13/h3-10,18H,11H2,1-2H3,(H2,19,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.420 | 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 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50515804
(CHEMBL4581991)Show SMILES CC(=O)N1N=C(CC1c1cccc(Cl)c1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H16ClN3O4S/c1-11(22)21-17(13-3-2-4-14(18)9-13)10-16(20-21)12-5-7-15(8-6-12)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.720 | 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 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50116585
(CHEMBL3609478)Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccccn2)cc1 Show InChI InChI=1S/C16H19N5O3S/c17-25(23,24)14-6-4-13(5-7-14)19-16(22)21-11-9-20(10-12-21)15-3-1-2-8-18-15/h1-8H,9-12H2,(H,19,22)(H2,17,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.75 | 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 2 preincubated for 15 mins by stopped flow CO2 hydration method |
Bioorg Med Chem Lett 25: 3850-3 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50515810
(CHEMBL4539997)Show SMILES CC(=O)N1N=C(CC1c1cccc(OS(N)(=O)=O)c1)c1ccc(Cl)cc1 |c:4| Show InChI InChI=1S/C17H16ClN3O4S/c1-11(22)21-17(10-16(20-21)12-5-7-14(18)8-6-12)13-3-2-4-15(9-13)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.810 | 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 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515811
(CHEMBL4580659)Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C18H16F3N3O4S/c1-11(25)24-17(13-2-6-14(7-3-13)18(19,20)21)10-16(23-24)12-4-8-15(9-5-12)28-29(22,26)27/h2-9,17H,10H2,1H3,(H2,22,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.830 | 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 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515804
(CHEMBL4581991)Show SMILES CC(=O)N1N=C(CC1c1cccc(Cl)c1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H16ClN3O4S/c1-11(22)21-17(13-3-2-4-14(18)9-13)10-16(20-21)12-5-7-15(8-6-12)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.870 | 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 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50515802
(CHEMBL4456443)Show SMILES CC(=O)N1N=C(CC1c1ccc(OS(N)(=O)=O)cc1)c1ccc(cc1)[N+]([O-])=O |c:4| Show InChI InChI=1S/C17H16N4O6S/c1-11(22)20-17(13-4-8-15(9-5-13)27-28(18,25)26)10-16(19-20)12-2-6-14(7-3-12)21(23)24/h2-9,17H,10H2,1H3,(H2,18,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.880 | 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 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50109271
(CHEMBL3601534)Show SMILES Cc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C18H22N4O4S/c1-14-3-2-4-16(13-14)21-9-11-22(12-10-21)18(23)20-15-5-7-17(8-6-15)26-27(19,24)25/h2-8,13H,9-12H2,1H3,(H,20,23)(H2,19,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.910 | 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 recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50109147
(CHEMBL3601531)Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C17H20N4O4S/c18-26(23,24)25-16-8-6-14(7-9-16)19-17(22)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,19,22)(H2,18,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | 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 recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50109154
(CHEMBL3601540)Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2cc3ccccc3o2)cc1 Show InChI InChI=1S/C23H22N6O5S/c24-35(31,32)34-18-7-5-17(6-8-18)26-23(30)29-13-11-28(12-14-29)22-25-10-9-19(27-22)21-15-16-3-1-2-4-20(16)33-21/h1-10,15H,11-14H2,(H,26,30)(H2,24,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | 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 recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50109270
(CHEMBL3601535)Show SMILES Cc1cccc(N2CCN(CC2)C(=O)Nc2ccc(OS(N)(=O)=O)cc2)c1C Show InChI InChI=1S/C19H24N4O4S/c1-14-4-3-5-18(15(14)2)22-10-12-23(13-11-22)19(24)21-16-6-8-17(9-7-16)27-28(20,25)26/h3-9H,10-13H2,1-2H3,(H,21,24)(H2,20,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | 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 recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50109148
(CHEMBL3601530)Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C18H22N4O4S/c19-27(24,25)26-17-8-6-16(7-9-17)20-18(23)22-12-10-21(11-13-22)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H2,19,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | 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 recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50109154
(CHEMBL3601540)Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2cc3ccccc3o2)cc1 Show InChI InChI=1S/C23H22N6O5S/c24-35(31,32)34-18-7-5-17(6-8-18)26-23(30)29-13-11-28(12-14-29)22-25-10-9-19(27-22)21-15-16-3-1-2-4-20(16)33-21/h1-10,15H,11-14H2,(H,26,30)(H2,24,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | 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 recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50109157
(CHEMBL3601538)Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C21H21BrN6O4S/c22-16-3-1-15(2-4-16)19-9-10-24-20(26-19)27-11-13-28(14-12-27)21(29)25-17-5-7-18(8-6-17)32-33(23,30)31/h1-10H,11-14H2,(H,25,29)(H2,23,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | 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 recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50109156
(CHEMBL3601539)Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H21F3N6O4S/c23-22(24,25)16-3-1-15(2-4-16)19-9-10-27-20(29-19)30-11-13-31(14-12-30)21(32)28-17-5-7-18(8-6-17)35-36(26,33)34/h1-10H,11-14H2,(H,28,32)(H2,26,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1 | 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 recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50109268
(CHEMBL3601537)Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)Nc1ccc(OS(N)(=O)=O)cc1 Show InChI InChI=1S/C18H22N4O5S/c1-26-16-8-4-15(5-9-16)21-10-12-22(13-11-21)18(23)20-14-2-6-17(7-3-14)27-28(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10 | 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 recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50109156
(CHEMBL3601539)Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C22H21F3N6O4S/c23-22(24,25)16-3-1-15(2-4-16)19-9-10-27-20(29-19)30-11-13-31(14-12-30)21(32)28-17-5-7-18(8-6-17)35-36(26,33)34/h1-10H,11-14H2,(H,28,32)(H2,26,33,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.10 | 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 recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50109157
(CHEMBL3601538)Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C21H21BrN6O4S/c22-16-3-1-15(2-4-16)19-9-10-24-20(26-19)27-11-13-28(14-12-27)21(29)25-17-5-7-18(8-6-17)32-33(23,30)31/h1-10H,11-14H2,(H,25,29)(H2,23,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | 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 recombinant carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515839
(CHEMBL4590447)Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)[N+]([O-])=O)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H16N4O6S/c1-11(22)20-17(13-2-6-14(7-3-13)21(23)24)10-16(19-20)12-4-8-15(9-5-12)27-28(18,25)26/h2-9,17H,10H2,1H3,(H2,18,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.20 | 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 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515835
(CHEMBL4454540)Show SMILES CC(=O)N1N=C(CC1c1ccc(F)cc1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H16FN3O4S/c1-11(22)21-17(13-2-6-14(18)7-3-13)10-16(20-21)12-4-8-15(9-5-12)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.5 | 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 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50116582
(CHEMBL3609476)Show SMILES COc1cccc(c1)N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-26-16-4-2-3-15(13-16)21-9-11-22(12-10-21)18(23)20-14-5-7-17(8-6-14)27(19,24)25/h2-8,13H,9-12H2,1H3,(H,20,23)(H2,19,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | 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 2 preincubated for 15 mins by stopped flow CO2 hydration method |
Bioorg Med Chem Lett 25: 3850-3 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50116581
(CHEMBL3609475)Show SMILES COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H22N4O4S/c1-26-17-5-3-2-4-16(17)21-10-12-22(13-11-21)18(23)20-14-6-8-15(9-7-14)27(19,24)25/h2-9H,10-13H2,1H3,(H,20,23)(H2,19,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.90 | 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 2 preincubated for 15 mins by stopped flow CO2 hydration method |
Bioorg Med Chem Lett 25: 3850-3 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50116578
(CHEMBL3609199)Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C17H19ClN4O3S/c18-13-2-1-3-15(12-13)21-8-10-22(11-9-21)17(23)20-14-4-6-16(7-5-14)26(19,24)25/h1-7,12H,8-11H2,(H,20,23)(H2,19,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.5 | 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 2 preincubated for 15 mins by stopped flow CO2 hydration method |
Bioorg Med Chem Lett 25: 3850-3 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50515818
(CHEMBL4464778)Show SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1cccc(OS(N)(=O)=O)c1 |c:4| Show InChI InChI=1S/C18H16F3N3O4S/c1-11(25)24-17(12-5-7-14(8-6-12)18(19,20)21)10-16(23-24)13-3-2-4-15(9-13)28-29(22,26)27/h2-9,17H,10H2,1H3,(H2,22,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.70 | 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 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50116586
(CHEMBL3609479)Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C17H18F3N5O3S/c18-17(19,20)14-2-1-7-22-15(14)24-8-10-25(11-9-24)16(26)23-12-3-5-13(6-4-12)29(21,27)28/h1-7H,8-11H2,(H,23,26)(H2,21,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 4.10 | 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 2 preincubated for 15 mins by stopped flow CO2 hydration method |
Bioorg Med Chem Lett 25: 3850-3 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50334354
(4-(3-(4-fluorophenyl)ureido)benzenesulfonamide | 4...)Show InChI InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 4.5 | 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 preincubated for 15 mins by stopped flow CO2 hydration method |
Bioorg Med Chem Lett 25: 3850-3 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515813
(CHEMBL4565433)Show SMILES COc1ccc(cc1)C1CC(=NN1C(C)=O)c1ccc(OS(N)(=O)=O)cc1 |c:11| Show InChI InChI=1S/C18H19N3O5S/c1-12(22)21-18(14-5-7-15(25-2)8-6-14)11-17(20-21)13-3-9-16(10-4-13)26-27(19,23)24/h3-10,18H,11H2,1-2H3,(H2,19,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.30 | 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 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515837
(CHEMBL4453349)Show SMILES CC(=O)N1N=C(CC1c1ccc(OS(N)(=O)=O)cc1)c1ccc(Cl)cc1Cl |c:4| Show InChI InChI=1S/C17H15Cl2N3O4S/c1-10(23)22-17(11-2-5-13(6-3-11)26-27(20,24)25)9-16(21-22)14-7-4-12(18)8-15(14)19/h2-8,17H,9H2,1H3,(H2,20,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.30 | 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 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50116580
(CHEMBL3609201)Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C17H18Cl2N4O3S/c18-15-6-3-13(11-16(15)19)22-7-9-23(10-8-22)17(24)21-12-1-4-14(5-2-12)27(20,25)26/h1-6,11H,7-10H2,(H,21,24)(H2,20,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.40 | 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 2 preincubated for 15 mins by stopped flow CO2 hydration method |
Bioorg Med Chem Lett 25: 3850-3 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W |
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
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 5.60 | 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 preincubated for 15 mins by stopped flow CO2 hydration method |
Bioorg Med Chem Lett 25: 3850-3 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50116589
(CHEMBL3609482)Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)C(F)(F)F)cc1 Show InChI InChI=1S/C16H17F3N6O3S/c17-16(18,19)13-5-6-21-14(23-13)24-7-9-25(10-8-24)15(26)22-11-1-3-12(4-2-11)29(20,27)28/h1-6H,7-10H2,(H,22,26)(H2,20,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.70 | 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 2 preincubated for 15 mins by stopped flow CO2 hydration method |
Bioorg Med Chem Lett 25: 3850-3 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W |
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
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 5.70 | 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 recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 5.70 | 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 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50515835
(CHEMBL4454540)Show SMILES CC(=O)N1N=C(CC1c1ccc(F)cc1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H16FN3O4S/c1-11(22)21-17(13-2-6-14(18)7-3-13)10-16(20-21)12-4-8-15(9-5-12)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.90 | 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 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515808
(CHEMBL4438539)Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H16ClN3O4S/c1-11(22)21-17(13-2-6-14(18)7-3-13)10-16(20-21)12-4-8-15(9-5-12)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6 | 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 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50109151
(CHEMBL3601543)Show InChI InChI=1S/C17H18FN3O2/c18-13-1-5-15(6-2-13)20-9-11-21(12-10-20)17(23)19-14-3-7-16(22)8-4-14/h1-8,22H,9-12H2,(H,19,23) | 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 |
University of Cagliari
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM75364
(4-(phenylmethyl)-N-(4-sulfamoylphenyl)-1-piperazin...)Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C18H22N4O3S/c19-26(24,25)17-8-6-16(7-9-17)20-18(23)22-12-10-21(11-13-22)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H2,19,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| 6.5 | 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 2 preincubated for 15 mins by stopped flow CO2 hydration method |
Bioorg Med Chem Lett 25: 3850-3 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515834
(CHEMBL4441496)Show SMILES CC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C18H19N3O4S/c1-12-3-5-15(6-4-12)18-11-17(20-21(18)13(2)22)14-7-9-16(10-8-14)25-26(19,23)24/h3-10,18H,11H2,1-2H3,(H2,19,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.5 | 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 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50515807
(CHEMBL4561870)Show SMILES CC(=O)N1N=C(CC1c1cccc(OS(N)(=O)=O)c1)c1ccc(F)cc1 |c:4| Show InChI InChI=1S/C17H16FN3O4S/c1-11(22)21-17(10-16(20-21)12-5-7-14(18)8-6-12)13-3-2-4-15(9-13)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.5 | 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 2 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50109154
(CHEMBL3601540)Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(CC2)c2nccc(n2)-c2cc3ccccc3o2)cc1 Show InChI InChI=1S/C23H22N6O5S/c24-35(31,32)34-18-7-5-17(6-8-18)26-23(30)29-13-11-28(12-14-29)22-25-10-9-19(27-22)21-15-16-3-1-2-4-20(16)33-21/h1-10,15H,11-14H2,(H,26,30)(H2,24,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.70 | 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 recombinant carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50116588
(CHEMBL3609481)Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C#N)cc1 Show InChI InChI=1S/C17H18N6O3S/c18-12-13-2-1-7-20-16(13)22-8-10-23(11-9-22)17(24)21-14-3-5-15(6-4-14)27(19,25)26/h1-7H,8-11H2,(H,21,24)(H2,19,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.80 | 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 2 preincubated for 15 mins by stopped flow CO2 hydration method |
Bioorg Med Chem Lett 25: 3850-3 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50515830
(CHEMBL4470818)Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1cccc(OS(N)(=O)=O)c1 |c:4| Show InChI InChI=1S/C17H16ClN3O4S/c1-11(22)21-17(12-5-7-14(18)8-6-12)10-16(20-21)13-3-2-4-15(9-13)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.90 | 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 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50515808
(CHEMBL4438539)Show SMILES CC(=O)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C17H16ClN3O4S/c1-11(22)21-17(13-2-6-14(18)7-3-13)10-16(20-21)12-4-8-15(9-5-12)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.90 | 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 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50109152
(CHEMBL3601542)Show InChI InChI=1S/C17H19N3O2/c21-16-8-6-14(7-9-16)18-17(22)20-12-10-19(11-13-20)15-4-2-1-3-5-15/h1-9,21H,10-13H2,(H,18,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.10 | 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 recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50515834
(CHEMBL4441496)Show SMILES CC(=O)N1N=C(CC1c1ccc(C)cc1)c1ccc(OS(N)(=O)=O)cc1 |c:4| Show InChI InChI=1S/C18H19N3O4S/c1-12-3-5-15(6-4-12)18-11-17(20-21(18)13(2)22)14-7-9-16(10-8-14)25-26(19,23)24/h3-10,18H,11H2,1-2H3,(H2,19,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.10 | 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 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50515809
(CHEMBL4529542)Show SMILES CC(=O)N1N=C(CC1c1cccc(Cl)c1)c1cccc(OS(N)(=O)=O)c1 |c:4| Show InChI InChI=1S/C17H16ClN3O4S/c1-11(22)21-17(13-5-2-6-14(18)8-13)10-16(20-21)12-4-3-7-15(9-12)25-26(19,23)24/h2-9,17H,10H2,1H3,(H2,19,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.30 | 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 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50116588
(CHEMBL3609481)Show SMILES NS(=O)(=O)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2C#N)cc1 Show InChI InChI=1S/C17H18N6O3S/c18-12-13-2-1-7-20-16(13)22-8-10-23(11-9-22)17(24)21-14-3-5-15(6-4-14)27(19,25)26/h1-7H,8-11H2,(H,21,24)(H2,19,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.5 | 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 1 preincubated for 15 mins by stopped flow CO2 hydration method |
Bioorg Med Chem Lett 25: 3850-3 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.060 BindingDB Entry DOI: 10.7270/Q20Z752W |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50515824
(CHEMBL4519062)Show SMILES CC(=O)N1N=C(CC1c1ccc(OS(N)(=O)=O)cc1)c1ccc(Cl)c(Cl)c1 |c:4| Show InChI InChI=1S/C17H15Cl2N3O4S/c1-10(23)22-17(11-2-5-13(6-3-11)26-27(20,24)25)9-16(21-22)12-4-7-14(18)15(19)8-12/h2-8,17H,9H2,1H3,(H2,20,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.70 | 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 9 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50515822
(CHEMBL4473899)Show SMILES CC(=O)N1N=C(CC1c1ccc(OS(N)(=O)=O)cc1)c1ccc(C)cc1 |c:4| Show InChI InChI=1S/C18H19N3O4S/c1-12-3-5-14(6-4-12)17-11-18(21(20-17)13(2)22)15-7-9-16(10-8-15)25-26(19,23)24/h3-10,18H,11H2,1-2H3,(H2,19,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.70 | 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 assessed as inhibitory constant incubated for 15 mins by phenol red dye based stopped flow assay |
Eur J Med Chem 182: (2019)
Article DOI: 10.1016/j.ejmech.2019.111638 BindingDB Entry DOI: 10.7270/Q2GT5RJD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50109153
(CHEMBL3601541)Show InChI InChI=1S/C18H21N3O2/c22-17-8-6-16(7-9-17)19-18(23)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h1-9,22H,10-14H2,(H,19,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.90 | 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 recombinant carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5619-25 (2015)
Article DOI: 10.1016/j.bmc.2015.07.024 BindingDB Entry DOI: 10.7270/Q21J9CK1 |
More data for this Ligand-Target Pair | |