BDBM50468694 CHEMBL4285601
SMILES: COc1cc2oc(cc(=O)c2cc1OC)C(=O)OCC1CCN(Cc2ccccc2)CC1
InChI Key: InChIKey=TVAFVIMAUJSJNE-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50468694 (CHEMBL4285601) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL | Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat... | Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases; ACHE & BCHE (Homo sapiens (Human)) | BDBM50468694 (CHEMBL4285601) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL | Assay Description Inhibition of human serum BuChE using butyrylthiocholine as substrate pretreated for 5 mins followed by substrate addition and measured for 5 mins by... | Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH | |||||||||||
More data for this Ligand-Target Pair |