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SMILES: [O-]S(=O)(=O)C(F)(F)F.CCN1\C(Sc2ccc(OCc3no[n+]([O-])c3C(N)=O)cc12)=C\C=C\c1sc2ccc(OCc3no[n+]([O-])c3C(N)=O)cc2[n+]1CC

InChI Key: InChIKey=FYOIUZCREGUNRZ-LCCWGKBJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50095986   
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
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50095986
PNG
(CHEMBL3593277)
Show SMILES [O-]S(=O)(=O)C(F)(F)F.CCN1\C(Sc2ccc(OCc3no[n+]([O-])c3C(N)=O)cc12)=C\C=C\c1sc2ccc(OCc3no[n+]([O-])c3C(N)=O)cc2[n+]1CC
Show InChI InChI=1S/C24H27N7O6/c1-2-27-23(36)20-18(34)19(35)24(37-20)31-12-28-17-21(25)29-15(30-22(17)31)8-10-26-9-7-13-3-5-14(6-4-13)11-16(32)33/h3-6,12,18-20,24,26,34-35H,2,7,9,11H2,1H3,(H,27,36)(H,32,33)(H2,25,29,30)/t18-,19+,20+,24?/m1/s1
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Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of Amyloid beta (1 to 40) (unknown origin) aggregation assessed as amount of fibrils formation at 100 uM after 2 hrs by thioflavin T based...

Bioorg Med Chem 23: 4688-98 (2015)


Article DOI: 10.1016/j.bmc.2015.05.050
BindingDB Entry DOI: 10.7270/Q29888RC
More data for this
Ligand-Target Pair