null
SMILES: CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChI Key: InChIKey=PRBMNHXZLHBQIF-SVRUBWSYSA-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 9 (Homo sapiens (Human)) | BDBM50299577 ((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.08E+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 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 9 (Homo sapiens (Human)) | BDBM50299577 ((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.08E+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 cloned CA9 catalytic domain by stopped flow CO2 hydration assay | J Med Chem 52: 6421-32 (2009) Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50299577 ((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.12E+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 cloned CA1 by stopped flow CO2 hydration assay | J Med Chem 52: 6421-32 (2009) Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50299577 ((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.12E+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 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 | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM50299577 ((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.61E+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 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 12 (Homo sapiens (Human)) | BDBM50299577 ((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.61E+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 cloned CA12 catalytic domain by stopped flow CO2 hydration assay | J Med Chem 52: 6421-32 (2009) Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50299577 ((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.98E+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 cloned CA2 by stopped flow CO2 hydration assay | J Med Chem 52: 6421-32 (2009) Article DOI: 10.1021/jm900914e BindingDB Entry DOI: 10.7270/Q2N29XV0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50299577 ((2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-((2R,3R,4S,5R...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.98E+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) |