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SMILES: CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc(cc3)C(F)(F)F)c2)C1=O)C(N)=O

InChI Key: InChIKey=KRWRGTSQDVTHAM-VJGNERBWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50410861   
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))		BDBM50410861
PNG
(CHEMBL424684)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc(cc3)C(F)(F)F)c2)C1=O)C(N)=O
Show InChI InChI=1S/C31H41F3N4O3/c1-4-8-25(28(35)39)26(17-20(2)3)29(40)37-27-11-5-6-16-38(30(27)41)19-21-9-7-10-24(18-21)36-23-14-12-22(13-15-23)31(32,33)34/h7,9-10,12-15,18,20,25-27,36H,4-6,8,11,16-17,19H2,1-3H3,(H2,35,39)(H,37,40)/t25-,26+,27-/m0/s1
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MMDB

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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of beta-amyloid peptide production in CHO N9 cell line

Bioorg Med Chem Lett 16: 2357-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.055
BindingDB Entry DOI: 10.7270/Q2WD405K
More data for this
Ligand-Target Pair