BDBM153265 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one::Isoquercitrin (6)::Quercetin 3-O-β-D-glucoside (11)
SMILES: OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChI Key: InChIKey=OVSQVDMCBVZWGM-QSOFNFLRSA-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 |
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Aurora kinase B (Homo sapiens (Human)) | BDBM153265 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University | Assay Description The kinase assay was performed using the EMD Millipore KinaseProfiler service assay protocol. Aurora B kinase was supplied by EMD Millipore Corp. The... | Chem Biol Drug Des 85: 574-85 (2015) Article DOI: 10.1111/cbdd.12445 BindingDB Entry DOI: 10.7270/Q2M61J08 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM153265 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Similars | n/a | n/a | 8.48E+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 | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM153265 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid PDB UniChem Similars | n/a | n/a | 1.00E+5 | 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 |