BDBM50346416 6-chloro-2-methoxy-N-(2-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methylthio)ethyl)acridin-9-amine::CHEMBL1782742
SMILES: COc1ccc2nc3cc(Cl)ccc3c(NCCSC[C@@H]3CCCN4CCCC[C@H]34)c2c1
InChI Key: InChIKey=XNSCYIBQQMVLBX-AVRWGWEMSA-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 (Bos taurus (bovine)) | BDBM50346416 (6-chloro-2-methoxy-N-(2-(((1R,9aR)-octahydro-1H-qu...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Genova Curated by ChEMBL | Assay Description Inhibition of bovine erythrocyte AChE using acetylthiocholine iodide as a substrate after 20 mins by Ellman's assay | Eur J Med Chem 46: 2170-84 (2011) Article DOI: 10.1016/j.ejmech.2011.02.071 BindingDB Entry DOI: 10.7270/Q2BK1CPG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Butyrylcholinesterase (BuChE) (Equus caballus (Horse)) | BDBM50346416 (6-chloro-2-methoxy-N-(2-(((1R,9aR)-octahydro-1H-qu...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Genova Curated by ChEMBL | Assay Description Inhibition of Equine serum BChE using butyrylthiocoline iodide as a substrate after 20 mins by Ellman's assay | Eur J Med Chem 46: 2170-84 (2011) Article DOI: 10.1016/j.ejmech.2011.02.071 BindingDB Entry DOI: 10.7270/Q2BK1CPG | |||||||||||
More data for this Ligand-Target Pair |