BDBM50148779 Acetic acid (1R,2R)-2-acetoxy-1-(acetyl-benzyloxy-aminocarbonyl)-3-(bis-benzyloxy-phosphoryloxy)-propyl ester::CHEMBL113666
SMILES: CC(=O)O[C@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)[C@@H](OC(C)=O)C(=O)N(OCc1ccccc1)C(C)=O
InChI Key: InChIKey=KWBXGZLAVCHNQR-LOYHVIPDSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human)) | BDBM50148779 (Acetic acid (1R,2R)-2-acetoxy-1-(acetyl-benzyloxy-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.09E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University Curated by ChEMBL | Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli | J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human)) | BDBM50148779 (Acetic acid (1R,2R)-2-acetoxy-1-(acetyl-benzyloxy-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.92E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University Curated by ChEMBL | Assay Description Inhibition constant against 6-phosphogluconate dehydrogenase of sheep liver | J Med Chem 47: 3427-37 (2004) Article DOI: 10.1021/jm031066i BindingDB Entry DOI: 10.7270/Q2S1837H | |||||||||||
More data for this Ligand-Target Pair |