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BDBM336608 US9744173, Comparator 5

SMILES: C[C@H]1C[C@H]2CSC(N)N[C@]2(CO1)c1cc(NC(=O)c2ccc(cn2)C#N)cs1

InChI Key: InChIKey=VYOMQWNABABLSL-FGDRGJRBSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 336608   
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))
BDBM336608
PNG
(US9744173, Comparator 5)
Show SMILES C[C@H]1C[C@H]2CSC(N)N[C@]2(CO1)c1cc(NC(=O)c2ccc(cn2)C#N)cs1
Show InChI InChI=1S/C19H21N5O2S2/c1-11-4-13-8-28-18(21)24-19(13,10-26-11)16-5-14(9-27-16)23-17(25)15-3-2-12(6-20)7-22-15/h2-3,5,7,9,11,13,18,24H,4,8,10,21H2,1H3,(H,23,25)/t11-,13-,18?,19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Beta-secretase (BACE) is one of the enzymes involved in the generation of the amyloid beta peptide found in the amyloid plaques of Alzheimer's Di...


US Patent US9744173 (2017)


Article DOI: 10.1073/pnas.0504952102
BindingDB Entry DOI: 10.7270/Q2K076CZ
More data for this
Ligand-Target Pair