Found 1102 hits with Last Name = 'de luca' and Initial = 'v' 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)) | BDBM50176610
(CHEMBL3808876)Show SMILES NS(=O)(=O)c1ccc(Nc2csc(Nc3ccc(cc3)S(N)(=O)=O)n2)cc1 Show InChI InChI=1S/C15H15N5O4S3/c16-26(21,22)12-5-1-10(2-6-12)18-14-9-25-15(20-14)19-11-3-7-13(8-4-11)27(17,23)24/h1-9,18H,(H,19,20)(H2,16,21,22)(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
| 0.410 | 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 CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016 BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50176458
(CHEMBL3809959)Show InChI InChI=1S/C14H18N4O2S2/c15-22(19,20)12-6-4-11(5-7-12)16-14-17-13(10-21-14)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,16,17)(H2,15,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016 BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50176697
(CHEMBL3809123)Show SMILES [#7]\[#6](-[#7])=[#7]\S(=O)(=O)c1ccc(-[#7]\[#7]=[#6]-2/[#16]-[#6](-[#7]-c3ccc(cc3)S([#7])(=O)=O)=[#7]-[#6]-2=O)cc1 |c:27| Show InChI InChI=1S/C16H16N8O5S3/c17-15(18)24-32(28,29)12-7-3-10(4-8-12)22-23-14-13(25)21-16(30-14)20-9-1-5-11(6-2-9)31(19,26)27/h1-8,22H,(H4,17,18,24)(H2,19,26,27)(H,20,21,25)/b23-14- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016 BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50176459
(CHEMBL3809207)Show InChI InChI=1S/C15H13FN4O2S2/c16-10-1-3-11(4-2-10)18-14-9-23-15(20-14)19-12-5-7-13(8-6-12)24(17,21)22/h1-9,18H,(H,19,20)(H2,17,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.580 | 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 CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016 BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50176460
(CHEMBL3808746)Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(cc3)C(O)=O)cs2)cc1 Show InChI InChI=1S/C16H14N4O4S2/c17-26(23,24)13-7-5-12(6-8-13)19-16-20-14(9-25-16)18-11-3-1-10(2-4-11)15(21)22/h1-9,18H,(H,19,20)(H,21,22)(H2,17,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.620 | 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 CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016 BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50176458
(CHEMBL3809959)Show InChI InChI=1S/C14H18N4O2S2/c15-22(19,20)12-6-4-11(5-7-12)16-14-17-13(10-21-14)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H,16,17)(H2,15,19,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.840 | 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 CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016 BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50176697
(CHEMBL3809123)Show SMILES [#7]\[#6](-[#7])=[#7]\S(=O)(=O)c1ccc(-[#7]\[#7]=[#6]-2/[#16]-[#6](-[#7]-c3ccc(cc3)S([#7])(=O)=O)=[#7]-[#6]-2=O)cc1 |c:27| Show InChI InChI=1S/C16H16N8O5S3/c17-15(18)24-32(28,29)12-7-3-10(4-8-12)22-23-14-13(25)21-16(30-14)20-9-1-5-11(6-2-9)31(19,26)27/h1-8,22H,(H4,17,18,24)(H2,19,26,27)(H,20,21,25)/b23-14- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.850 | 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 CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016 BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10870
(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNR
Curated by ChEMBL
| Assay Description Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stop flow CO2 hydrase assay |
Bioorg Med Chem Lett 26: 4184-90 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.060 BindingDB Entry DOI: 10.7270/Q2H70K9R |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10870
(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNR
Curated by ChEMBL
| Assay Description Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stop flow CO2 hydrase assay |
Bioorg Med Chem Lett 26: 4184-90 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.060 BindingDB Entry DOI: 10.7270/Q2H70K9R |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10870
(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2 | 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 2 preincubated for 15 mins by CO2 hydrase stopped flow assay |
Bioorg Med Chem Lett 26: 1253-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.023 BindingDB Entry DOI: 10.7270/Q21Z4685 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10870
(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degliStudi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrase assay |
Bioorg Med Chem 23: 1728-34 (2015)
Article DOI: 10.1016/j.bmc.2015.02.045 BindingDB Entry DOI: 10.7270/Q22R3T9X |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10870
(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2 | 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-2 by stopped flow CO2 hydrase assay method |
Bioorg Med Chem Lett 25: 3550-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.079 BindingDB Entry DOI: 10.7270/Q23B61XS |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM81920
(p-Hydroxy-benzene derivative, 3a)Show InChI InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2 | 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 anhydrase2 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 24: 1115-20 (2016)
Article DOI: 10.1016/j.bmc.2016.01.037 BindingDB Entry DOI: 10.7270/Q26W9CXH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM81920
(p-Hydroxy-benzene derivative, 3a)Show InChI InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2 | 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 recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem Lett 26: 1941-6 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.014 BindingDB Entry DOI: 10.7270/Q27946J2 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10885
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 3 | 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 2 preincubated for 15 mins by CO2 hydrase stopped flow assay |
Bioorg Med Chem Lett 26: 1253-9 (2016)
Article DOI: 10.1016/j.bmcl.2016.01.023 BindingDB Entry DOI: 10.7270/Q21Z4685 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10885
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNR
Curated by ChEMBL
| Assay Description Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stop flow CO2 hydrase assay |
Bioorg Med Chem Lett 26: 4184-90 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.060 BindingDB Entry DOI: 10.7270/Q2H70K9R |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10885
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNR
Curated by ChEMBL
| Assay Description Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stop flow CO2 hydrase assay |
Bioorg Med Chem Lett 26: 4184-90 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.060 BindingDB Entry DOI: 10.7270/Q2H70K9R |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10885
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degliStudi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrase assay |
Bioorg Med Chem 23: 1728-34 (2015)
Article DOI: 10.1016/j.bmc.2015.02.045 BindingDB Entry DOI: 10.7270/Q22R3T9X |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10885
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 3 | 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-2 by stopped flow CO2 hydrase assay method |
Bioorg Med Chem Lett 25: 3550-5 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.079 BindingDB Entry DOI: 10.7270/Q23B61XS |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10885
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 3 | 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 anhydrase2 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 24: 1115-20 (2016)
Article DOI: 10.1016/j.bmc.2016.01.037 BindingDB Entry DOI: 10.7270/Q26W9CXH |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50176459
(CHEMBL3809207)Show InChI InChI=1S/C15H13FN4O2S2/c16-10-1-3-11(4-2-10)18-14-9-23-15(20-14)19-12-5-7-13(8-6-12)24(17,21)22/h1-9,18H,(H,19,20)(H2,17,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.20 | 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 CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016 BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50585412
(CHEMBL5081030)Show SMILES NS(=O)(=O)c1ccc2N(Cc3cc(F)cc(F)c3)C(=O)C(=O)c2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113997 BindingDB Entry DOI: 10.7270/Q2PV6Q80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50176758
(CHEMBL3809527)Show SMILES NS(=O)(=O)c1ccc(NC2=NC(=O)\C(S2)=N\Nc2ccc(Cl)cc2)cc1 |t:9| Show InChI InChI=1S/C15H12ClN5O3S2/c16-9-1-3-11(4-2-9)20-21-14-13(22)19-15(25-14)18-10-5-7-12(8-6-10)26(17,23)24/h1-8,20H,(H2,17,23,24)(H,18,19,22)/b21-14- | 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 |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016 BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50585408
(CHEMBL5091112) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113997 BindingDB Entry DOI: 10.7270/Q2PV6Q80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50585416
(CHEMBL5075846)Show SMILES NS(=O)(=O)c1ccc2N(Cc3ccc(F)cc3Cl)C(=O)C(=O)c2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113997 BindingDB Entry DOI: 10.7270/Q2PV6Q80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50585419
(CHEMBL5070510)Show SMILES NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)c(Cl)c3)C(=O)C(=O)c2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113997 BindingDB Entry DOI: 10.7270/Q2PV6Q80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50176724
(CHEMBL3809540)Show SMILES NS(=O)(=O)c1ccc(NC2=NC(=O)\C(S2)=N\Nc2ccc(cc2)C(O)=O)cc1 |t:9| Show InChI InChI=1S/C16H13N5O5S2/c17-28(25,26)12-7-5-10(6-8-12)18-16-19-13(22)14(27-16)21-20-11-3-1-9(2-4-11)15(23)24/h1-8,20H,(H,23,24)(H2,17,25,26)(H,18,19,22)/b21-14- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.40 | 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 CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016 BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50585415
(CHEMBL5090178)Show SMILES NS(=O)(=O)c1ccc2N(Cc3ccc(Cl)cc3)C(=O)C(=O)c2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113997 BindingDB Entry DOI: 10.7270/Q2PV6Q80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50585411
(CHEMBL5083309)Show SMILES NS(=O)(=O)c1ccc2N(Cc3ccc(F)cc3)C(=O)C(=O)c2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113997 BindingDB Entry DOI: 10.7270/Q2PV6Q80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50585417
(CHEMBL5077385)Show SMILES NS(=O)(=O)c1ccc2N(Cc3c(F)cccc3Cl)C(=O)C(=O)c2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113997 BindingDB Entry DOI: 10.7270/Q2PV6Q80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50585414
(CHEMBL5092480)Show SMILES NS(=O)(=O)c1ccc2N(Cc3c(F)c(F)c(F)c(F)c3F)C(=O)C(=O)c2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113997 BindingDB Entry DOI: 10.7270/Q2PV6Q80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50585420
(CHEMBL5092817)Show SMILES Cc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(N)(=O)=O)cc1C | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113997 BindingDB Entry DOI: 10.7270/Q2PV6Q80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50585424
(CHEMBL5073857)Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(N)(=O)=O)cc1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113997 BindingDB Entry DOI: 10.7270/Q2PV6Q80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50585427
(CHEMBL5076523)Show SMILES NS(=O)(=O)c1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1 | PDB MMDB
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 |
TBA
| Assay Description Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113997 BindingDB Entry DOI: 10.7270/Q2PV6Q80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50585413
(CHEMBL5077323)Show SMILES NS(=O)(=O)c1ccc2N(Cc3c(F)cccc3F)C(=O)C(=O)c2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113997 BindingDB Entry DOI: 10.7270/Q2PV6Q80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50585423
(CHEMBL5090403)Show SMILES NS(=O)(=O)c1ccc2N(Cc3cc(ccc3F)C(F)(F)F)C(=O)C(=O)c2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113997 BindingDB Entry DOI: 10.7270/Q2PV6Q80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50176361
(CHEMBL3809698)Show SMILES NS(=O)(=O)c1ccc(N\N=C2/SC(Nc3ccc(cc3)S(N)(=O)=O)=NC2=O)cc1 |c:24| Show InChI InChI=1S/C15H14N6O5S3/c16-28(23,24)11-5-1-9(2-6-11)18-15-19-13(22)14(27-15)21-20-10-3-7-12(8-4-10)29(17,25)26/h1-8,20H,(H2,16,23,24)(H2,17,25,26)(H,18,19,22)/b21-14- | 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 |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA2 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016 BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50176459
(CHEMBL3809207)Show InChI InChI=1S/C15H13FN4O2S2/c16-10-1-3-11(4-2-10)18-14-9-23-15(20-14)19-12-5-7-13(8-6-12)24(17,21)22/h1-9,18H,(H,19,20)(H2,17,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.60 | 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 CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016 BindingDB Entry DOI: 10.7270/Q2736STC |
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 |
TBA
| Assay Description Inhibition of human CA12 preincubated for 15 mins by phenol red based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113997 BindingDB Entry DOI: 10.7270/Q2PV6Q80 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50176361
(CHEMBL3809698)Show SMILES NS(=O)(=O)c1ccc(N\N=C2/SC(Nc3ccc(cc3)S(N)(=O)=O)=NC2=O)cc1 |c:24| Show InChI InChI=1S/C15H14N6O5S3/c16-28(23,24)11-5-1-9(2-6-11)18-15-19-13(22)14(27-15)21-20-10-3-7-12(8-4-10)29(17,25)26/h1-8,20H,(H2,16,23,24)(H2,17,25,26)(H,18,19,22)/b21-14- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.80 | 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 CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016 BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50585421
(CHEMBL5079968)Show SMILES NS(=O)(=O)c1ccc2N(Cc3cccc(c3)C(F)(F)F)C(=O)C(=O)c2c1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113997 BindingDB Entry DOI: 10.7270/Q2PV6Q80 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10870
(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degliStudi di Firenze
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydrase assay |
Bioorg Med Chem 23: 1728-34 (2015)
Article DOI: 10.1016/j.bmc.2015.02.045 BindingDB Entry DOI: 10.7270/Q22R3T9X |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10870
(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNR
Curated by ChEMBL
| Assay Description Inhibition of full length human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stop flow CO2 hydrase assay |
Bioorg Med Chem Lett 26: 4184-90 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.060 BindingDB Entry DOI: 10.7270/Q2H70K9R |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM81920
(p-Hydroxy-benzene derivative, 3a)Show InChI InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 6 | 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 anhydrase1 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 24: 1115-20 (2016)
Article DOI: 10.1016/j.bmc.2016.01.037 BindingDB Entry DOI: 10.7270/Q26W9CXH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM81920
(p-Hydroxy-benzene derivative, 3a)Show InChI InChI=1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 6 | 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 recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem Lett 26: 1941-6 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.014 BindingDB Entry DOI: 10.7270/Q27946J2 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM10870
(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNR
Curated by ChEMBL
| Assay Description Inhibition of full length human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stop flow CO2 hydrase assay |
Bioorg Med Chem Lett 26: 4184-90 (2016)
Article DOI: 10.1016/j.bmcl.2016.07.060 BindingDB Entry DOI: 10.7270/Q2H70K9R |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50176361
(CHEMBL3809698)Show SMILES NS(=O)(=O)c1ccc(N\N=C2/SC(Nc3ccc(cc3)S(N)(=O)=O)=NC2=O)cc1 |c:24| Show InChI InChI=1S/C15H14N6O5S3/c16-28(23,24)11-5-1-9(2-6-11)18-15-19-13(22)14(27-15)21-20-10-3-7-12(8-4-10)29(17,25)26/h1-8,20H,(H2,16,23,24)(H2,17,25,26)(H,18,19,22)/b21-14- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.40 | 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 CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016 BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50176724
(CHEMBL3809540)Show SMILES NS(=O)(=O)c1ccc(NC2=NC(=O)\C(S2)=N\Nc2ccc(cc2)C(O)=O)cc1 |t:9| Show InChI InChI=1S/C16H13N5O5S2/c17-28(25,26)12-7-5-10(6-8-12)18-16-19-13(22)14(27-16)21-20-11-3-1-9(2-4-11)15(23)24/h1-8,20H,(H,23,24)(H2,17,25,26)(H,18,19,22)/b21-14- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.40 | 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 CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016 BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50176456
(CHEMBL3810023)Show SMILES NS(=O)(=O)c1ccc(Nc2nc(NNc3nc(-c4ccccc4)c(C#N)c(=O)[nH]3)cs2)cc1 Show InChI InChI=1S/C20H16N8O3S2/c21-10-15-17(12-4-2-1-3-5-12)25-19(26-18(15)29)28-27-16-11-32-20(24-16)23-13-6-8-14(9-7-13)33(22,30)31/h1-9,11,27H,(H,23,24)(H2,22,30,31)(H2,25,26,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.5 | 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 CA9 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016 BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 1
(Homo sapiens (Human)) | BDBM50176610
(CHEMBL3808876)Show SMILES NS(=O)(=O)c1ccc(Nc2csc(Nc3ccc(cc3)S(N)(=O)=O)n2)cc1 Show InChI InChI=1S/C15H15N5O4S3/c16-26(21,22)12-5-1-10(2-6-12)18-14-9-25-15(20-14)19-11-3-7-13(8-4-11)27(17,23)24/h1-9,18H,(H,19,20)(H2,16,21,22)(H2,17,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CA1 preincubated for 15 mins prior to testing by stopped flow CO2 hydrase assay |
Bioorg Med Chem 24: 3043-3051 (2016)
Article DOI: 10.1016/j.bmc.2016.05.016 BindingDB Entry DOI: 10.7270/Q2736STC |
More data for this Ligand-Target Pair | |