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BDBM136871 US8865911, 108

SMILES: CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cc(Cl)cc(c1)C#N

InChI Key: InChIKey=XHPVFJGGOWNHQR-QXONTCKQSA-N

Data: 1 IC50

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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 = 136871   
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))
BDBM136871
PNG
(US8865911, 108)
Show SMILES CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C25H23ClF2N4O/c1-14-22(30)32-25(31-14)21-11-16(18-8-15(13-29)9-19(26)10-18)2-3-17(21)12-24(25)6-4-20(5-7-24)33-23(27)28/h2-3,8-11,20,23H,4-7,12H2,1H3,(H2,30,32)/t20-,24-,25?
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.30n/an/an/an/a9.2n/a



Astrazeneca AB

US Patent


Assay Description
TR-FRET AssayThe beta-secretase enzyme used in the TR-FRET is prepared as follows: The cDNA for the soluble part of the human beta-Secretase (AA 1-AA...


US Patent US8865911 (2014)


BindingDB Entry DOI: 10.7270/Q2T72G4T
More data for this
Ligand-Target Pair