BDBM50157913 4a,12a-dihydroxy-3-methoxy-4,4,6a,12b-tetramethyl-9-(3,4,5-trimethoxyphenyl)-1,4a,5,6,6a,12,12a,12b-octahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11-dione::CHEMBL367571
SMILES: COC1=CC(=O)[C@@]2(C)[C@](O)(CC[C@@]3(C)Oc4cc(oc(=O)c4C[C@@]23O)-c2cc(OC)c(OC)c(OC)c2)C1(C)C
InChI Key: InChIKey=AENKBRFCOPMCEQ-RYTSNQFKSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cholinesterases (Homo sapiens (Human)) | BDBM50157913 (4a,12a-dihydroxy-3-methoxy-4,4,6a,12b-tetramethyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL | Assay Description Inhibitory concentration against Butyrylcholinesterase activity | Bioorg Med Chem Lett 15: 353-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.067 BindingDB Entry DOI: 10.7270/Q2CN73CD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50157913 (4a,12a-dihydroxy-3-methoxy-4,4,6a,12b-tetramethyl-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL | Assay Description Inhibitory concentration against Acetylcholinesterase activity | Bioorg Med Chem Lett 15: 353-6 (2004) Article DOI: 10.1016/j.bmcl.2004.10.067 BindingDB Entry DOI: 10.7270/Q2CN73CD | |||||||||||
More data for this Ligand-Target Pair |