BDBM11411 2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide 18::3-(morpholin-4-ylmethyl)-1,1-dioxo-2-(prop-2-en-1-yl)-2H-1,7,2-thieno[3,2-e][1,2]thiazine-6-sulfonamide::3-[(4-Morpholinyl)methyl]-2-(2-propenyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide::Compound 17e1
SMILES: NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(CC=C)S(=O)(=O)c2s1
InChI Key: InChIKey=KDCJIHNQDVKCTE-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM11411 (2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-di...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Alcon Research, Ltd. | Assay Description Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ... | Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Carbonic anhydrase 4 (Homo sapiens (Human)) | BDBM11411 (2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-di...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 23.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Alcon Research, Ltd. | Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy... | Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM11411 (2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-di...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
Alcon Research, Ltd. | Assay Description The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy... | Bioorg Med Chem 8: 957-75 (2000) Article DOI: 10.1016/s0968-0896(00)00026-2 BindingDB Entry DOI: 10.7270/Q23B5XC0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |