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SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)N1CC2CC1CO2

InChI Key: InChIKey=VVZYJILCHBDRDY-ZOOXZOTBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50323476   
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))		BDBM50323476
PNG
(CHEMBL1209419 | N-((2S,3R)-4-(1-(3-(2-oxa-5-azabic...)
Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)N1CC2CC1CO2 |r|
Show InChI InChI=1S/C26H31F2N3O3/c1-16(32)30-24(9-17-7-19(27)11-20(28)8-17)25(33)13-29-26(5-6-26)18-3-2-4-21(10-18)31-14-23-12-22(31)15-34-23/h2-4,7-8,10-11,22-25,29,33H,5-6,9,12-15H2,1H3,(H,30,32)/t22?,23?,24-,25+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant BACE-1 expressed in Escherichia coli after 3 hrs by fluorescence polarization assay

Bioorg Med Chem Lett 20: 4789-94 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.112
BindingDB Entry DOI: 10.7270/Q23N24CF
More data for this
Ligand-Target Pair