Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50323341' 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)) | BDBM50323341
(CHEMBL1209039)Show SMILES NS(=O)(=O)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C14H20N4O3S2/c15-23(20,21)13-18-17-12(22-13)16-11(19)7-14-4-8-1-9(5-14)3-10(2-8)6-14/h8-10H,1-7H2,(H2,15,20,21)(H,16,17,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney
Curated by ChEMBL
| Assay Description Inhibition of human CA2 |
Eur J Med Chem 46: 1949-63 (2011)
Article DOI: 10.1016/j.ejmech.2011.01.047 BindingDB Entry DOI: 10.7270/Q22808QQ |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50323341
(CHEMBL1209039)Show SMILES NS(=O)(=O)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C14H20N4O3S2/c15-23(20,21)13-18-17-12(22-13)16-11(19)7-14-4-8-1-9(5-14)3-10(2-8)6-14/h8-10H,1-7H2,(H2,15,20,21)(H,16,17,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of human carbonic anhydrase-2 cytosolic isoform after 15 mins by Stopped-flow CO2 hydrase assay |
Bioorg Med Chem 21: 2314-8 (2013)
Article DOI: 10.1016/j.bmc.2013.02.022 BindingDB Entry DOI: 10.7270/Q2Q241MT |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50323341
(CHEMBL1209039)Show SMILES NS(=O)(=O)c1nnc(NC(=O)CC23CC4CC(CC(C4)C2)C3)s1 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C14H20N4O3S2/c15-23(20,21)13-18-17-12(22-13)16-11(19)7-14-4-8-1-9(5-14)3-10(2-8)6-14/h8-10H,1-7H2,(H2,15,20,21)(H,16,17,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem Lett 20: 4376-81 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.082 BindingDB Entry DOI: 10.7270/Q2C24XCB |
More data for this Ligand-Target Pair | 3D Structure (docked) |