BDBM10504 1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)methyl]sulfanyl}methyl)phenyl]-2,2,2-trifluoroethane-1,1-diol::4-Amino-5-fluoro-2-methyl-3-[3-(1,1-dihyroxy-2,2,2-trifluoroethyl)-benzylthiomethyl]quinoline::Aminoquinoline 28
SMILES: Cc1nc2cccc(F)c2c(N)c1CSCc1cccc(c1)C(O)(O)C(F)(F)F
InChI Key: InChIKey=GPBGHVRNVGXPNM-UHFFFAOYSA-N
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 |
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Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM10504![]() (1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)me...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar | DrugBank MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.10E+4 | 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 | ![]() 3D Structure (crystal) |