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BDBM342438 N-(2-((4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4,4a,5,6-tetrahydropyrano [3,4-d][1,3]oxazin-8a(8H)- yl)thiazol-4-yl)-3-chloro-5- (difluoromethoxy) picolinamide::US9771379, Example 13a

SMILES: NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1

InChI Key: InChIKey=AXOMWSFAEGDUQS-KAWBQECESA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 342438   
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))
BDBM342438
PNG
(N-(2-((4aR,6R,8aR)-2- amino-6-(trifluoromethyl)- 4...)
Show SMILES NC1=N[C@]2(CO[C@H](C[C@H]2CO1)C(F)(F)F)c1nc(NC(=O)c2ncc(OC(F)F)cc2Cl)cs1 |r,t:1|
Show InChI InChI=1S/C18H15ClF5N5O4S/c19-9-2-8(33-15(20)21)3-26-12(9)13(30)27-11-5-34-14(28-11)17-6-32-10(18(22,23)24)1-7(17)4-31-16(25)29-17/h2-3,5,7,10,15H,1,4,6H2,(H2,25,29)(H,27,30)/t7-,10+,17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 184n/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