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SMILES: CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3cccc(OC)c3)c2)C1=O)C(N)=O

InChI Key: InChIKey=GIVJUCUMMPCAOP-IARZGTGTSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50410860   
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))		BDBM50410860
PNG
(CHEMBL410532)
Show SMILES CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3cccc(OC)c3)c2)C1=O)C(N)=O
Show InChI InChI=1S/C31H44N4O4/c1-5-10-26(29(32)36)27(17-21(2)3)30(37)34-28-15-6-7-16-35(31(28)38)20-22-11-8-12-23(18-22)33-24-13-9-14-25(19-24)39-4/h8-9,11-14,18-19,21,26-28,33H,5-7,10,15-17,20H2,1-4H3,(H2,32,36)(H,34,37)/t26-,27+,28-/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