BDBM50251343 CHEMBL4076580
SMILES: [Br-].COc1cc2C\C(=C/c3cc[n+](Cc4ccccc4F)cc3)C(=O)c2cc1OC
InChI Key: InChIKey=BLNXPNHAXPHDBZ-YBFXNURJSA-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 (Homo sapiens (Human)) | BDBM50251343 (CHEMBL4076580) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL | Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to ... | Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50251343 (CHEMBL4076580) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Experiment Center of Teaching& Learning, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Curated by ChEMBL | Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate pretreated for 6 mins followed by substrate addition measured up to 180 s... | Eur J Med Chem 133: 184-196 (2017) Article DOI: 10.1016/j.ejmech.2017.02.045 BindingDB Entry DOI: 10.7270/Q2FB55C0 | |||||||||||
More data for this Ligand-Target Pair |