BDBM50449479 CHEMBL4168520
SMILES: [O-]S(=O)(=O)C(F)(F)F.CN(C)C(=O)Oc1cccc2[n+](C)cc(cc12)C(=O)NCCOCCOCCN1C(=O)c2ccccc2C1=O
InChI Key: InChIKey=SBALZZMYQHEXTR-UHFFFAOYSA-O
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 (Homo sapiens (Human)) | BDBM50449479 (CHEMBL4168520) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS Curated by ChEMBL | Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured eve... | Eur J Med Chem 155: 171-182 (2018) Article DOI: 10.1016/j.ejmech.2018.05.057 BindingDB Entry DOI: 10.7270/Q2Q52S5C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Bos taurus (bovine)) | BDBM50449479 (CHEMBL4168520) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS Curated by ChEMBL | Assay Description Inhibition of bovine erythrocytes AChE using acetylthiocholine iodide as substrate by Ellman's method | Eur J Med Chem 155: 171-182 (2018) Article DOI: 10.1016/j.ejmech.2018.05.057 BindingDB Entry DOI: 10.7270/Q2Q52S5C | |||||||||||
More data for this Ligand-Target Pair |