null
SMILES: OCC1O[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C2OC(=O)c3cc(O)c(O)c(c3O)-c3c(O)c(O)cc(c3O)C(=O)O[C@H]2[C@@H]1O
InChI Key: InChIKey=HRZHJSQRXBCRAL-MLDWXPKYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Homo sapiens (Human)) | BDBM226177 (Agritannin (1)) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 6.02E+4 | n/a | n/a | n/a | n/a | 8.0 | 25 | |
Catholic University of Daegu | Assay Description Briefly, 140 μL of sodium phosphate buffer (pH 8.0), 20 μL of each tested compound with different concentrations (4, 20, and 100 μM) a... | Bioorg Chem 72: 293-300 (2017) BindingDB Entry DOI: 10.7270/Q2Q52NH6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human)) | BDBM226177 (Agritannin (1)) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | 6.0 | n/a | |
Catholic University of Daegu | Assay Description PTP1B activity was measured by adding 2mM p-NPP and PTP1B in a 50 mM citrate buffer (pH 6.0, 0.1 M NaCl, 1 mMEDTA, and 1 mM dithiothreitol), with or ... | Bioorg Chem 72: 293-300 (2017) BindingDB Entry DOI: 10.7270/Q2Q52NH6 | |||||||||||
More data for this Ligand-Target Pair |