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BDBM10499 1-(3-{[(4-amino-5-fluoro-2-methylquinolin-3-yl)methoxy]methyl}phenyl)-2,2,2-trifluoroethan-1-one::4-Amino-5-fluoro-2-methyl-3-(3-trifluoroacetylbenzyloxymethyl)quinoline::Aminoquinoline 23a

SMILES: Cc1nc2cccc(F)c2c(N)c1COCc1cccc(c1)C(=O)C(F)(F)F

InChI Key: InChIKey=FETZSOAPEQTBLT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 10499   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Acetylcholinesterase


(Tetronarce californica (Pacific electric ray) (Tor...)
BDBM10499
PNG
(1-(3-{[(4-amino-5-fluoro-2-methylquinolin-3-yl)met...)
Show SMILES Cc1nc2cccc(F)c2c(N)c1COCc1cccc(c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C20H16F4N2O2/c1-11-14(18(25)17-15(21)6-3-7-16(17)26-11)10-28-9-12-4-2-5-13(8-12)19(27)20(22,23)24/h2-8H,9-10H2,1H3,(H2,25,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80n/an/an/an/a7.822



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: 10.1128/AAC.00311-07
BindingDB Entry DOI: 10.7270/Q2PC30MT
More data for this
Ligand-Target Pair