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BDBM342425 N-(2-((4S,4aR,6S,8aR)-2-amino-4-(fluoromethyl)-6-methyl-4,4a,5,6-tetrahydro pyrano[3,4-d][1,3]oxazin-8a(8H)-yl)thiazol-4-yl)-5-(difluoromethoxy)picolinamide ::US9771379, Example 6

SMILES: C[C@H]1C[C@H]2[C@@H](CF)OC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1

InChI Key: InChIKey=HTDTVHMSLWTNIU-TZQADUHGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 342425   
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))		BDBM342425
PNG
(N-(2-((4S,4aR,6S,8aR)-2-amino-4-(fluoromethyl)-6-m...)
Show SMILES C[C@H]1C[C@H]2[C@@H](CF)OC(N)=N[C@]2(CO1)c1nc(NC(=O)c2ccc(OC(F)F)cn2)cs1 |r,c:9|
Show InChI InChI=1S/C19H20F3N5O4S/c1-9-4-11-13(5-20)31-18(23)27-19(11,8-29-9)16-26-14(7-32-16)25-15(28)12-3-2-10(6-24-12)30-17(21)22/h2-3,6-7,9,11,13,17H,4-5,8H2,1H3,(H2,23,27)(H,25,28)/t9-,11-,13+,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 270n/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