BDBM10503 1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)methyl]sulfanyl}methyl)phenyl]-2,2,2-trifluoroethan-1-one::4-Amino-5-fluoro-2-methyl-3-(3-trifluoroacetylbenzylthiomethyl)quinoline::Aminoquinoline 27
SMILES: Cc1nc2cccc(F)c2c(N)c1CSCc1cccc(c1)C(=O)C(F)(F)F
InChI Key: InChIKey=VPRFBYAXJXJEIV-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 (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM10503 (1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)me...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of Torpedo californica AChE | J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM10503 (1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)me...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.8 | 22 |
Syngenta | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at ... | J Med Chem 44: 3203-15 (2001) Article DOI: 10.1021/jm010826r BindingDB Entry DOI: 10.7270/Q2PC30MT | |||||||||||
More data for this Ligand-Target Pair |