BDBM50278151 (2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-((1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl)methoxy)tetrahydro-2H-pyran-3-yl acetate::CHEMBL472077
SMILES: CC(=O)O[C@H]1[C@@H](CO)O[C@@H](OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](O)[C@H]1O
InChI Key: InChIKey=GPDJEOLNUXCUQS-OVYGPGRDSA-N
Data: 3 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 1 (Homo sapiens (Human)) | BDBM50278151 ((2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6...) | 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 | 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 recombinant CA1 by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 19: 2273-6 (2009) Article DOI: 10.1016/j.bmcl.2009.02.086 BindingDB Entry DOI: 10.7270/Q2QF8TSW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50278151 ((2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.70 | 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 recombinant CA2 by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 19: 2273-6 (2009) Article DOI: 10.1016/j.bmcl.2009.02.086 BindingDB Entry DOI: 10.7270/Q2QF8TSW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50278151 ((2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6...) | 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 | 101 | 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 recombinant CA9 by stopped flow CO2 hydration assay | Bioorg Med Chem Lett 19: 2273-6 (2009) Article DOI: 10.1016/j.bmcl.2009.02.086 BindingDB Entry DOI: 10.7270/Q2QF8TSW | |||||||||||
More data for this Ligand-Target Pair |