BDBM50117580 1-Benzyl-1-methyl-4-[3-oxo-3-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-propyl]-piperidinium::CHEMBL315385::TAK-147
SMILES: C[N+]1(Cc2ccccc2)CCC(CCC(=O)c2ccc3CCCCNc3c2)CC1
InChI Key: InChIKey=ONUDLXFZUHMOLF-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 (Homo sapiens (Human)) | BDBM50117580 (1-Benzyl-1-methyl-4-[3-oxo-3-(2,3,4,5-tetrahydro-1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | <500 | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories Ltd. Curated by ChEMBL | Assay Description In vitro inhibition of human recombinant AChE. | Bioorg Med Chem Lett 12: 2565-8 (2002) BindingDB Entry DOI: 10.7270/Q2CZ37Q4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50117580 (1-Benzyl-1-methyl-4-[3-oxo-3-(2,3,4,5-tetrahydro-1...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 331 | n/a | n/a | n/a | n/a |
Organon Laboratories Ltd. Curated by ChEMBL | Assay Description In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm. | Bioorg Med Chem Lett 12: 2565-8 (2002) BindingDB Entry DOI: 10.7270/Q2CZ37Q4 | |||||||||||
More data for this Ligand-Target Pair |