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SMILES: CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2OCOc2c1

InChI Key: InChIKey=IQPYOACTPZONCR-NDEVUPSOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50316858   
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
Beta-secretase 1


(Homo sapiens (Human))		BDBM50316858
PNG
(CHEMBL1088138 | N-((S)-1-((4S,5S,7R)-5-hydroxy-8-(...)
Show SMILES CC(C)CNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C31H43N3O6/c1-19(2)13-24(26(35)14-21(5)29(36)32-17-20(3)4)33-31(38)25(15-22-9-7-6-8-10-22)34-30(37)23-11-12-27-28(16-23)40-18-39-27/h6-12,16,19-21,24-26,35H,13-15,17-18H2,1-5H3,(H,32,36)(H,33,38)(H,34,37)/t21-,24+,25+,26+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.07E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 using fluorescent peptide substrate after 5 mins

Eur J Med Chem 45: 2089-94 (2010)


Article DOI: 10.1016/j.ejmech.2010.01.044
BindingDB Entry DOI: 10.7270/Q2CF9Q86
More data for this
Ligand-Target Pair