BDBM50037187 (2R)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one::(R)-donepezil
SMILES: COc1cc2C[C@@H](CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
InChI Key: InChIKey=ADEBPBSSDYVVLD-HXUWFJFHSA-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 (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50037187 ((2R)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimeth...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hamburg Curated by ChEMBL | Assay Description Binding affinity tested against acetylcholinesterase in Torpedo californica | J Med Chem 47: 2839-52 (2004) Article DOI: 10.1021/jm031032a BindingDB Entry DOI: 10.7270/Q2P84CN5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Acetylcholinesterase (Rattus norvegicus (rat)) | BDBM50037187 ((2R)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimeth...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Chemical Industries, Ltd. Curated by ChEMBL | Assay Description Inhibition concentration against rat acetylcholinesterase | J Med Chem 37: 3141-53 (1994) BindingDB Entry DOI: 10.7270/Q2JS9PHX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |