BDBM50029941 2-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-5,6-dimethoxy-indan-1-one; hydrochloride::CHEMBL172409::CHEMBL545317
SMILES: COc1cc2CC(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
InChI Key: InChIKey=DINPORPBMKTYBO-UHFFFAOYSA-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...) | BDBM50029941 (2-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-5,6-dimethox...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd. Curated by ChEMBL | Assay Description Inhibitory activity was calculated for the model Acetylcholinesterase (Expt-1) | J Med Chem 39: 4460-70 (1996) Article DOI: 10.1021/jm950596e BindingDB Entry DOI: 10.7270/Q2HD7WB9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50029941 (2-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-5,6-dimethox...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against Acetylcholinesterase | J Med Chem 39: 4460-70 (1996) Article DOI: 10.1021/jm950596e BindingDB Entry DOI: 10.7270/Q2HD7WB9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50029941 (2-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-5,6-dimethox...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Co., Ltd. Curated by ChEMBL | Assay Description Inhibitory activity was calculated for the model Acetylcholinesterase (Expt-2) | J Med Chem 39: 4460-70 (1996) Article DOI: 10.1021/jm950596e BindingDB Entry DOI: 10.7270/Q2HD7WB9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Mus musculus (mouse)) | BDBM50029941 (2-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-5,6-dimethox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Acetylcholinesterase activity in mouse brain homogenate | Bioorg Med Chem Lett 2: 871-876 (1992) Article DOI: 10.1016/S0960-894X(00)80547-8 BindingDB Entry DOI: 10.7270/Q21R6QDV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Mus musculus (mouse)) | BDBM50029941 (2-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-5,6-dimethox...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Eisai Company, Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against acetylcholinesterase | J Med Chem 38: 4821-9 (1996) BindingDB Entry DOI: 10.7270/Q2QC045T | |||||||||||
More data for this Ligand-Target Pair |