BDBM50020516 2-(3-{2-[2-hydroxy-(E)-1-methenylimino]-1-methyl-1H-imidazol-3-ium-3-ylmethoxymethyl}-1-methyl-1H-imidazol-3-ium-2-yl)-(E)-1-iminomethen-1-ol::CHEMBL146158
SMILES: Cn1cc[n+](COC[n+]2ccn(C)c2CN=O)c1CN=O
InChI Key: InChIKey=RJPZCBUHOAIOBC-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 (Electrophorus electricus (Electric eel)) | BDBM50020516![]() (2-(3-{2-[2-hydroxy-(E)-1-methenylimino]-1-methyl-1...) | UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SRI International Curated by ChEMBL | Assay Description Inhibition of eel acetylcholinesterase (AChE) activity by 50% | J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50020516![]() (2-(3-{2-[2-hydroxy-(E)-1-methenylimino]-1-methyl-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 | 7.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
SRI International Curated by ChEMBL | Assay Description Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC). | J Med Chem 32: 493-503 (1989) BindingDB Entry DOI: 10.7270/Q2JD4XCB | |||||||||||
More data for this Ligand-Target Pair |