BDBM153632 US8999980, I-54

SMILES CC1=C[C@](C)(N=C(N)O1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F

InChI Key InChIKey=LLUIVDBCIQNSNG-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 153632   

TargetBeta-secretase 1(Human)
Shionogi

US Patent
LigandPNGBDBM153632(US8999980, I-54)
Affinity DataIC50: 97nMpH: 5.0 T: 2°CAssay Description:48.5 .mu.L of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=.epsilon.-amino-n-capronic acid, Eu=Europium cryptate) was added to each well...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/5/2015
Entry Details
Go to US Patent

TargetBeta-secretase 1(Human)
Shionogi

US Patent
LigandPNGBDBM153632(US8999980, I-54)
Affinity DataIC50: 66nMAssay Description:Inhibition of human recombinant BACE1 (43 to 545 residues) expressed in Escherichia coli BL21(DE3) using APP Swedish Lys-Met/Asn-Leu mutant as substr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Shionogi

US Patent
LigandPNGBDBM153632(US8999980, I-54)
Affinity DataIC50: 4.40nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells transfected with human wild type beta-APP assessed as reduction in amyloid beta (1 to 40) levels after 24 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed