BDBM50117574 1-Benzyl-1-methyl-4-[3-(5-methyl-1-phenyl-1H-pyrazol-3-yl)-3-oxo-propyl]-piperidinium::1-Benzyl-4-[3-(2,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-oxo-propyl]-1-methyl-piperidinium::CHEMBL87014
SMILES: Cc1cc(nn1-c1ccccc1)C(=O)CCC1CC[N+](C)(Cc2ccccc2)CC1
InChI Key: InChIKey=OQDJCMHCDIHYKT-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)) | BDBM50117574 (1-Benzyl-1-methyl-4-[3-(5-methyl-1-phenyl-1H-pyraz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 22 | 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)) | BDBM50117574 (1-Benzyl-1-methyl-4-[3-(5-methyl-1-phenyl-1H-pyraz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | n/a | n/a | 430 | 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 | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50117574 (1-Benzyl-1-methyl-4-[3-(5-methyl-1-phenyl-1H-pyraz...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas Curated by ChEMBL | Assay Description Inhibitory activity against Acetylcholinesterase enzyme using human AChE assay | J Med Chem 47: 5492-500 (2004) Article DOI: 10.1021/jm049695v BindingDB Entry DOI: 10.7270/Q2765G3W | |||||||||||
More data for this Ligand-Target Pair |