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SMILES: [I-].CCCOc1ccc2S\C(=C/C=C/c3sc4ccccc4[n+]3CC)N(CC)c2c1

InChI Key: InChIKey=WJXSIJUIBOTFHQ-UAQFLBAKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50095990   
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))		BDBM50095990
PNG
(CHEMBL3593282)
Show SMILES [I-].CCCOc1ccc2S\C(=C/C=C/c3sc4ccccc4[n+]3CC)N(CC)c2c1
Show InChI InChI=1S/C18H20FN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13+,14+,17?/m1/s1
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Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of Amyloid beta (1 to 42) (unknown origin) aggregation assessed as amount of fibrils formation after 2 hrs by thioflavin T based spectrofl...

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