Found 492 hits with Last Name = 'ibrahim' and Initial = 'hs' 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 9
(Homo sapiens (Human)) | BDBM50130745
(CHEMBL3633555)Show SMILES Cc1ccc2NC(=O)\C(=N/c3cccc(c3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C15H13N3O3S/c1-9-5-6-13-12(7-9)14(15(19)18-13)17-10-3-2-4-11(8-10)22(16,20)21/h2-8H,1H3,(H2,16,20,21)(H,17,18,19) | PDB MMDB
NCI pathway 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 |
Egyptian Russian University
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase 9 |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50513670
(CHEMBL4526109)Show SMILES CN1CCN(CC1)c1ccc(cc1)C(\C)=N\Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H25N5O2S/c1-15(21-22-17-5-9-19(10-6-17)27(20,25)26)16-3-7-18(8-4-16)24-13-11-23(2)12-14-24/h3-10,22H,11-14H2,1-2H3,(H2,20,25,26)/b21-15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay |
Eur J Med Chem 179: 547-556 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.081 BindingDB Entry DOI: 10.7270/Q2736V81 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50130740
(CHEMBL3633550)Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(Cl)cc12 Show InChI InChI=1S/C18H14ClN7O4S/c19-9-1-6-14-12(7-9)15(18(28)23-14)24-25-17(27)13-8-22-26(16(13)20)10-2-4-11(5-3-10)31(21,29)30/h1-8H,20H2,(H,25,27)(H2,21,29,30)(H,23,24,28) | PDB MMDB
NCI pathway 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 |
Egyptian Russian University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50130739
(CHEMBL3633549)Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccccc12 Show InChI InChI=1S/C18H15N7O4S/c19-16-13(9-21-25(16)10-5-7-11(8-6-10)30(20,28)29)17(26)24-23-15-12-3-1-2-4-14(12)22-18(15)27/h1-9H,19H2,(H,24,26)(H2,20,28,29)(H,22,23,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.80 | 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 human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50130739
(CHEMBL3633549)Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccccc12 Show InChI InChI=1S/C18H15N7O4S/c19-16-13(9-21-25(16)10-5-7-11(8-6-10)30(20,28)29)17(26)24-23-15-12-3-1-2-4-14(12)22-18(15)27/h1-9H,19H2,(H,24,26)(H2,20,28,29)(H,22,23,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.90 | 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 human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50513665
(CHEMBL4454770)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C18H20N4O3S/c19-26(24,25)17-9-5-15(6-10-17)18(23)21-20-13-14-3-7-16(8-4-14)22-11-1-2-12-22/h3-10,13H,1-2,11-12H2,(H,21,23)(H2,19,24,25)/b20-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay |
Eur J Med Chem 179: 547-556 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.081 BindingDB Entry DOI: 10.7270/Q2736V81 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50130741
(CHEMBL3633551)Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(Br)cc12 Show InChI InChI=1S/C18H14BrN7O4S/c19-9-1-6-14-12(7-9)15(18(28)23-14)24-25-17(27)13-8-22-26(16(13)20)10-2-4-11(5-3-10)31(21,29)30/h1-8H,20H2,(H,25,27)(H2,21,29,30)(H,23,24,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.20 | 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 human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50513662
(CHEMBL4451809)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C19H22N4O3S/c20-27(25,26)18-10-6-16(7-11-18)19(24)22-21-14-15-4-8-17(9-5-15)23-12-2-1-3-13-23/h4-11,14H,1-3,12-13H2,(H,22,24)(H2,20,25,26)/b21-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay |
Eur J Med Chem 179: 547-556 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.081 BindingDB Entry DOI: 10.7270/Q2736V81 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50130736
(CHEMBL3633386)Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3-c3ccccc3)-c3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C25H20N6O5S/c1-36-17-9-12-21-19(13-17)22(25(33)28-21)29-30-24(32)20-14-27-31(23(20)15-5-3-2-4-6-15)16-7-10-18(11-8-16)37(26,34)35/h2-14H,1H3,(H,30,32)(H2,26,34,35)(H,28,29,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30 | 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 human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50130742
(CHEMBL3633552)Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3N)-c3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C19H17N7O5S/c1-31-11-4-7-15-13(8-11)16(19(28)23-15)24-25-18(27)14-9-22-26(17(14)20)10-2-5-12(6-3-10)32(21,29)30/h2-9H,20H2,1H3,(H,25,27)(H2,21,29,30)(H,23,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.5 | 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 human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50130736
(CHEMBL3633386)Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3-c3ccccc3)-c3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C25H20N6O5S/c1-36-17-9-12-21-19(13-17)22(25(33)28-21)29-30-24(32)20-14-27-31(23(20)15-5-3-2-4-6-15)16-7-10-18(11-8-16)37(26,34)35/h2-14H,1H3,(H,30,32)(H2,26,34,35)(H,28,29,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.5 | 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 human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50130737
(CHEMBL3633547)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(cc23)[N+]([O-])=O)c1-c1ccccc1 Show InChI InChI=1S/C24H17N7O6S/c25-38(36,37)17-9-6-15(7-10-17)30-22(14-4-2-1-3-5-14)19(13-26-30)23(32)29-28-21-18-12-16(31(34)35)8-11-20(18)27-24(21)33/h1-13H,(H,29,32)(H2,25,36,37)(H,27,28,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.70 | 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 human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50130740
(CHEMBL3633550)Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(Cl)cc12 Show InChI InChI=1S/C18H14ClN7O4S/c19-9-1-6-14-12(7-9)15(18(28)23-14)24-25-17(27)13-8-22-26(16(13)20)10-2-4-11(5-3-10)31(21,29)30/h1-8H,20H2,(H,25,27)(H2,21,29,30)(H,23,24,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.80 | 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 human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50130751
(CHEMBL3633383)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccccc23)c1-c1ccccc1 Show InChI InChI=1S/C24H18N6O4S/c25-35(33,34)17-12-10-16(11-13-17)30-22(15-6-2-1-3-7-15)19(14-26-30)23(31)29-28-21-18-8-4-5-9-20(18)27-24(21)32/h1-14H,(H,29,31)(H2,25,33,34)(H,27,28,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.30 | 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 human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50130742
(CHEMBL3633552)Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3N)-c3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C19H17N7O5S/c1-31-11-4-7-15-13(8-11)16(19(28)23-15)24-25-18(27)14-9-22-26(17(14)20)10-2-5-12(6-3-10)32(21,29)30/h2-9H,20H2,1H3,(H,25,27)(H2,21,29,30)(H,23,24,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.5 | 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 human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50130752
(CHEMBL3633384)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(Cl)cc23)c1-c1ccccc1 Show InChI InChI=1S/C24H17ClN6O4S/c25-15-6-11-20-18(12-15)21(24(33)28-20)29-30-23(32)19-13-27-31(22(19)14-4-2-1-3-5-14)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,30,32)(H2,26,34,35)(H,28,29,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.60 | 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 human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50130750
(CHEMBL3633382)Show SMILES Cc1ccc2NC(=O)\C(=N/NC(=O)c3cc(-c4ccccc4)n(n3)-c3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C25H20N6O4S/c1-15-7-12-20-19(13-15)23(25(33)27-20)28-29-24(32)21-14-22(16-5-3-2-4-6-16)31(30-21)17-8-10-18(11-9-17)36(26,34)35/h2-14H,1H3,(H,29,32)(H2,26,34,35)(H,27,28,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.70 | 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 human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50130741
(CHEMBL3633551)Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(Br)cc12 Show InChI InChI=1S/C18H14BrN7O4S/c19-9-1-6-14-12(7-9)15(18(28)23-14)24-25-17(27)13-8-22-26(16(13)20)10-2-4-11(5-3-10)31(21,29)30/h1-8H,20H2,(H,25,27)(H2,21,29,30)(H,23,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.20 | 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 human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50513674
(CHEMBL4458485)Show SMILES CN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H18ClN5O4S/c1-28-19-11-2-13(23)12-18(19)20(21(28)29)25-14-3-5-15(6-4-14)26-22(30)27-16-7-9-17(10-8-16)33(24,31)32/h2-12H,1H3,(H2,24,31,32)(H2,26,27,30)/b25-20- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay |
Eur J Med Chem 179: 547-556 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.081 BindingDB Entry DOI: 10.7270/Q2736V81 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50378409
(CHEMBL4170551)Show SMILES Cc1ccc(cc1)C(\CS(=O)(=O)c1ccc(C)cc1)=N\Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C22H23N3O4S2/c1-16-3-7-18(8-4-16)22(15-30(26,27)20-11-5-17(2)6-12-20)25-24-19-9-13-21(14-10-19)31(23,28)29/h3-14,24H,15H2,1-2H3,(H2,23,28,29)/b25-22+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 5.30 | 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 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ... |
Eur J Med Chem 152: 1-9 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.016 BindingDB Entry DOI: 10.7270/Q2MK6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50130743
(CHEMBL3633553)Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C18H14N8O6S/c19-16-13(8-21-25(16)9-1-4-11(5-2-9)33(20,31)32)17(27)24-23-15-12-7-10(26(29)30)3-6-14(12)22-18(15)28/h1-8H,19H2,(H,24,27)(H2,20,31,32)(H,22,23,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.40 | 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 human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50130746
(CHEMBL3633385)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(Br)cc23)c1-c1ccccc1 Show InChI InChI=1S/C24H17BrN6O4S/c25-15-6-11-20-18(12-15)21(24(33)28-20)29-30-23(32)19-13-27-31(22(19)14-4-2-1-3-5-14)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,30,32)(H2,26,34,35)(H,28,29,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.5 | 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 human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50130739
(CHEMBL3633549)Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccccc12 Show InChI InChI=1S/C18H15N7O4S/c19-16-13(9-21-25(16)10-5-7-11(8-6-10)30(20,28)29)17(26)24-23-15-12-3-1-2-4-14(12)22-18(15)27/h1-9H,19H2,(H,24,26)(H2,20,28,29)(H,22,23,27) | PDB MMDB
NCI pathway 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 |
Egyptian Russian University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
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 |
Egyptian Russian University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
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 |
Egyptian Russian University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 184: (2019)
Article DOI: 10.1016/j.ejmech.2019.111768 BindingDB Entry DOI: 10.7270/Q2QC06T5 |
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 |
TBA
| Assay Description Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112897 BindingDB Entry DOI: 10.7270/Q2183B6N |
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 |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay |
Eur J Med Chem 179: 547-556 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.081 BindingDB Entry DOI: 10.7270/Q2736V81 |
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 |
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 CO2 hydration assay |
Eur J Med Chem 157: 28-36 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.054 BindingDB Entry DOI: 10.7270/Q2348P24 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50130750
(CHEMBL3633382)Show SMILES Cc1ccc2NC(=O)\C(=N/NC(=O)c3cc(-c4ccccc4)n(n3)-c3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C25H20N6O4S/c1-15-7-12-20-19(13-15)23(25(33)27-20)28-29-24(32)21-14-22(16-5-3-2-4-6-16)31(30-21)17-8-10-18(11-9-17)36(26,34)35/h2-14H,1H3,(H,29,32)(H2,26,34,35)(H,27,28,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.90 | 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 human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50513674
(CHEMBL4458485)Show SMILES CN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H18ClN5O4S/c1-28-19-11-2-13(23)12-18(19)20(21(28)29)25-14-3-5-15(6-4-14)26-22(30)27-16-7-9-17(10-8-16)33(24,31)32/h2-12H,1H3,(H2,24,31,32)(H2,26,27,30)/b25-20- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay |
Eur J Med Chem 179: 547-556 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.081 BindingDB Entry DOI: 10.7270/Q2736V81 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50130749
(CHEMBL3633381)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccc(Br)cc12 Show InChI InChI=1S/C24H17BrN6O4S/c25-15-6-11-19-18(12-15)22(24(33)27-19)28-29-23(32)20-13-21(14-4-2-1-3-5-14)31(30-20)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,29,32)(H2,26,34,35)(H,27,28,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.40 | 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 human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50130738
(CHEMBL3633548)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)N(Cc3ccccc3)c3ccccc23)c1-c1ccccc1 Show InChI InChI=1S/C31H24N6O4S/c32-42(40,41)24-17-15-23(16-18-24)37-29(22-11-5-2-6-12-22)26(19-33-37)30(38)35-34-28-25-13-7-8-14-27(25)36(31(28)39)20-21-9-3-1-4-10-21/h1-19H,20H2,(H,35,38)(H2,32,40,41)/b34-28- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Egyptian Russian University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50130746
(CHEMBL3633385)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(Br)cc23)c1-c1ccccc1 Show InChI InChI=1S/C24H17BrN6O4S/c25-15-6-11-20-18(12-15)21(24(33)28-20)29-30-23(32)19-13-27-31(22(19)14-4-2-1-3-5-14)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,30,32)(H2,26,34,35)(H,28,29,33) | 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 |
Egyptian Russian University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50130740
(CHEMBL3633550)Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(Cl)cc12 Show InChI InChI=1S/C18H14ClN7O4S/c19-9-1-6-14-12(7-9)15(18(28)23-14)24-25-17(27)13-8-22-26(16(13)20)10-2-4-11(5-3-10)31(21,29)30/h1-8H,20H2,(H,25,27)(H2,21,29,30)(H,23,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.10 | 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 human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50130742
(CHEMBL3633552)Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3N)-c3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C19H17N7O5S/c1-31-11-4-7-15-13(8-11)16(19(28)23-15)24-25-18(27)14-9-22-26(17(14)20)10-2-5-12(6-3-10)32(21,29)30/h2-9H,20H2,1H3,(H,25,27)(H2,21,29,30)(H,23,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.10 | 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 human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50513664
(CHEMBL4447743)Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C19H24N4O2S/c1-15(21-22-17-7-11-19(12-8-17)26(20,24)25)16-5-9-18(10-6-16)23-13-3-2-4-14-23/h5-12,22H,2-4,13-14H2,1H3,(H2,20,24,25)/b21-15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay |
Eur J Med Chem 179: 547-556 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.081 BindingDB Entry DOI: 10.7270/Q2736V81 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50130744
(CHEMBL3633554)Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)N(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C25H21N7O4S/c26-23-20(14-28-32(23)17-10-12-18(13-11-17)37(27,35)36)24(33)30-29-22-19-8-4-5-9-21(19)31(25(22)34)15-16-6-2-1-3-7-16/h1-14H,15,26H2,(H,30,33)(H2,27,35,36)/b29-22- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.20 | 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 human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50130743
(CHEMBL3633553)Show SMILES Nc1c(cnn1-c1ccc(cc1)S(N)(=O)=O)C(=O)N\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C18H14N8O6S/c19-16-13(8-21-25(16)9-1-4-11(5-2-9)33(20,31)32)17(27)24-23-15-12-7-10(26(29)30)3-6-14(12)22-18(15)28/h1-8H,19H2,(H,24,27)(H2,20,31,32)(H,22,23,28) | 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
| 7.40 | 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 human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50130748
(CHEMBL3633380)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(=O)N\N=C1/C(=O)Nc2ccc(Cl)cc12 Show InChI InChI=1S/C24H17ClN6O4S/c25-15-6-11-19-18(12-15)22(24(33)27-19)28-29-23(32)20-13-21(14-4-2-1-3-5-14)31(30-20)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,29,32)(H2,26,34,35)(H,27,28,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.40 | 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 human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50378906
(CHEMBL4169017)Show SMILES NS(=O)(=O)c1ccc(N\N=C(/CS(=O)(=O)c2ccccc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H18FN3O4S2/c21-16-8-6-15(7-9-16)20(14-29(25,26)18-4-2-1-3-5-18)24-23-17-10-12-19(13-11-17)30(22,27)28/h1-13,23H,14H2,(H2,22,27,28)/b24-20+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Egyptian Russian University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ... |
Eur J Med Chem 152: 1-9 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.016 BindingDB Entry DOI: 10.7270/Q2MK6GGD |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50130736
(CHEMBL3633386)Show SMILES COc1ccc2NC(=O)\C(=N/NC(=O)c3cnn(c3-c3ccccc3)-c3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C25H20N6O5S/c1-36-17-9-12-21-19(13-17)22(25(33)28-21)29-30-24(32)20-14-27-31(23(20)15-5-3-2-4-6-15)16-7-10-18(11-8-16)37(26,34)35/h2-14H,1H3,(H,30,32)(H2,26,34,35)(H,28,29,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.60 | 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 human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50504623
(CHEMBL4517834)Show SMILES CN1C(=O)\C(=N/Nc2ccc(cc2)S(N)(=O)=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C15H13ClN4O3S/c1-20-13-7-2-9(16)8-12(13)14(15(20)21)19-18-10-3-5-11(6-4-10)24(17,22)23/h2-8,18H,1H3,(H2,17,22,23)/b19-14- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.80 | 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 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 184: (2019)
Article DOI: 10.1016/j.ejmech.2019.111768 BindingDB Entry DOI: 10.7270/Q2QC06T5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50130746
(CHEMBL3633385)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1ncc(C(=O)N\N=C2/C(=O)Nc3ccc(Br)cc23)c1-c1ccccc1 Show InChI InChI=1S/C24H17BrN6O4S/c25-15-6-11-20-18(12-15)21(24(33)28-20)29-30-23(32)19-13-27-31(22(19)14-4-2-1-3-5-14)16-7-9-17(10-8-16)36(26,34)35/h1-13H,(H,30,32)(H2,26,34,35)(H,28,29,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.80 | 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 human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 6 hrs by stopped flow CO2 hydrase assay |
Eur J Med Chem 103: 583-93 (2015)
Article DOI: 10.1016/j.ejmech.2015.09.021 BindingDB Entry DOI: 10.7270/Q2HH6MX8 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50513668
(CHEMBL4571534)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C17H15N5O3S/c18-26(24,25)16-7-3-14(4-8-16)17(23)21-20-11-13-1-5-15(6-2-13)22-10-9-19-12-22/h1-12H,(H,21,23)(H2,18,24,25)/b20-11+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli by stopped flow CO2 hydration assay |
Eur J Med Chem 179: 547-556 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.081 BindingDB Entry DOI: 10.7270/Q2736V81 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50513668
(CHEMBL4571534)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C17H15N5O3S/c18-26(24,25)16-7-3-14(4-8-16)17(23)21-20-11-13-1-5-15(6-2-13)22-10-9-19-12-22/h1-12H,(H,21,23)(H2,18,24,25)/b20-11+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay |
Eur J Med Chem 179: 547-556 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.081 BindingDB Entry DOI: 10.7270/Q2736V81 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50504620
(GW280670X)Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C14H11ClN4O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,18H,(H2,16,21,22)(H,17,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8.30 | 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 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 184: (2019)
Article DOI: 10.1016/j.ejmech.2019.111768 BindingDB Entry DOI: 10.7270/Q2QC06T5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50504624
(CHEMBL4585407)Show SMILES CCN1C(=O)\C(=N/Nc2ccc(cc2)S(N)(=O)=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C16H15ClN4O3S/c1-2-21-14-8-3-10(17)9-13(14)15(16(21)22)20-19-11-4-6-12(7-5-11)25(18,23)24/h3-9,19H,2H2,1H3,(H2,18,23,24)/b20-15- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8.40 | 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 9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Eur J Med Chem 184: (2019)
Article DOI: 10.1016/j.ejmech.2019.111768 BindingDB Entry DOI: 10.7270/Q2QC06T5 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50513672
(CHEMBL4442272)Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C18H20N4O4S/c19-27(24,25)17-7-3-15(4-8-17)18(23)21-20-13-14-1-5-16(6-2-14)22-9-11-26-12-10-22/h1-8,13H,9-12H2,(H,21,23)(H2,19,24,25)/b20-13+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay |
Eur J Med Chem 179: 547-556 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.081 BindingDB Entry DOI: 10.7270/Q2736V81 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50513664
(CHEMBL4447743)Show SMILES C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C19H24N4O2S/c1-15(21-22-17-7-11-19(12-8-17)26(20,24)25)16-5-9-18(10-6-16)23-13-3-2-4-14-23/h5-12,22H,2-4,13-14H2,1H3,(H2,20,24,25)/b21-15+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay |
Eur J Med Chem 179: 547-556 (2019)
Article DOI: 10.1016/j.ejmech.2019.06.081 BindingDB Entry DOI: 10.7270/Q2736V81 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50378408
(CHEMBL4172408)Show SMILES Cc1ccc(cc1)S(=O)(=O)C\C(=N/Nc1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H20ClN3O4S2/c1-15-2-10-19(11-3-15)30(26,27)14-21(16-4-6-17(22)7-5-16)25-24-18-8-12-20(13-9-18)31(23,28)29/h2-13,24H,14H2,1H3,(H2,23,28,29)/b25-21+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 8.70 | 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 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ... |
Eur J Med Chem 152: 1-9 (2018)
Article DOI: 10.1016/j.ejmech.2018.04.016 BindingDB Entry DOI: 10.7270/Q2MK6GGD |
More data for this Ligand-Target Pair | |