BDBM50339449 1,2,3,4-Tetra-O-acetyl-6-sulfamoyl-beta-D-mannopyranose::CHEMBL1688310
SMILES: CC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChI Key: InChIKey=QDAXJNRNUATRQE-PEBLQZBPSA-N
Data: 5 KI
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 9 (Homo sapiens (Human)) | BDBM50339449 (1,2,3,4-Tetra-O-acetyl-6-sulfamoyl-beta-D-mannopyr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 |
Griffith University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay | J Med Chem 54: 1481-9 (2011) Article DOI: 10.1021/jm101525j BindingDB Entry DOI: 10.7270/Q25T3KSX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50339449 (1,2,3,4-Tetra-O-acetyl-6-sulfamoyl-beta-D-mannopyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 12 catalytic domain by CO2 hydration assay | J Med Chem 54: 1481-9 (2011) Article DOI: 10.1021/jm101525j BindingDB Entry DOI: 10.7270/Q25T3KSX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50339449 (1,2,3,4-Tetra-O-acetyl-6-sulfamoyl-beta-D-mannopyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay | Bioorg Med Chem 21: 1419-26 (2013) Article DOI: 10.1016/j.bmc.2012.10.043 BindingDB Entry DOI: 10.7270/Q2FT8ND6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50339449 (1,2,3,4-Tetra-O-acetyl-6-sulfamoyl-beta-D-mannopyr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 11.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 2 by CO2 hydration assay | J Med Chem 54: 1481-9 (2011) Article DOI: 10.1021/jm101525j BindingDB Entry DOI: 10.7270/Q25T3KSX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50339449 (1,2,3,4-Tetra-O-acetyl-6-sulfamoyl-beta-D-mannopyr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University Curated by ChEMBL | Assay Description Inhibition of human carbonic anhydrase 1 by CO2 hydration assay | J Med Chem 54: 1481-9 (2011) Article DOI: 10.1021/jm101525j BindingDB Entry DOI: 10.7270/Q25T3KSX | |||||||||||
More data for this Ligand-Target Pair |