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SMILES: C[C@H]1C[C@H]2CCOC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1

InChI Key: InChIKey=WEXHYPFPKMDMOE-ZBUHCNDUSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 342424   
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))		BDBM342424
PNG
(N-(2-((5aR,7S,9aR)-2-amino-7-methyl-5,5a,6,7-tetra...)
Show SMILES C[C@H]1C[C@H]2CCOC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ncc(OC(F)F)cc2C)cs1 |r,c:8|
Show InChI InChI=1S/C20H23F2N5O4S/c1-10-5-13(31-18(21)22)7-24-15(10)16(28)25-14-8-32-17(26-14)20-9-30-11(2)6-12(20)3-4-29-19(23)27-20/h5,7-8,11-12,18H,3-4,6,9H2,1-2H3,(H2,23,27)(H,25,28)/t11-,12+,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 71n/an/an/an/an/an/a



PFIZER INC.

US Patent


Assay Description
A synthetic APP substrate that can be cleaved by beta-secretase having N-terminal biotin and made fluorescent by the covalent attachment of Oregon Gr...

US Patent US9771379 (2017)


BindingDB Entry DOI: 10.7270/Q2R78HC1
More data for this
Ligand-Target Pair