BDBM50346435 (1S,9aR)-1-((9H-thioxanthen-9-yl)methyl)octahydro-1H-quinolizine::CHEMBL1782718
SMILES: C([C@@H]1CCCN2CCCC[C@H]12)C1c2ccccc2Sc2ccccc12
InChI Key: InChIKey=WVOUDCCPOUYBDE-LAUBAEHRSA-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)) | BDBM50346435 ((1S,9aR)-1-((9H-thioxanthen-9-yl)methyl)octahydro-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.00E+3 | 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)) | BDBM50346435 ((1S,9aR)-1-((9H-thioxanthen-9-yl)methyl)octahydro-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 150 | 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 |