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BDBM472829 US10829500, Exam. 4

SMILES: NC1=N[C@@](CF)(C[S@]2(=O)=NCCCCN12)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F

InChI Key: InChIKey=VGEZZRMHKSHFMA-KGMZSHBCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 472829   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM472829
PNG
(US10829500, Exam. 4)
Show SMILES NC1=N[C@@](CF)(C[S@]2(=O)=NCCCCN12)c1nc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C20H20F2N8O2S/c21-11-20(12-33(32)26-7-1-2-8-30(33)19(24)29-20)17-14(22)4-6-16(27-17)28-18(31)15-5-3-13(9-23)10-25-15/h3-6,10H,1-2,7-8,11-12H2,(H2,24,29)(H,27,28,31)/t20-,33-/m0/s1
PDB
MMDB

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PC cid
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US Patent
n/an/a 96n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
It has been found that the compounds of the present invention are associated with inhibition of BACE1 activity.


US Patent US10829500 (2020)

More data for this
Ligand-Target Pair