BDBM210067 US9270353, 13

SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(C)C=CSC(N)=N1

InChI Key InChIKey=ZKYGEVYKGMFLJI-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 210067   

TargetBeta-secretase 1(Human)
Shionogi

US Patent
LigandPNGBDBM210067(US9270353, 13)
Affinity DataIC50: 1.00E+3nMpH: 5.0Assay Description:48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/30/2017
Entry Details
Go to US Patent

TargetBeta-secretase 1(Human)
Shionogi

US Patent
LigandPNGBDBM210067(US9270353, 13)
Affinity DataIC50: 21nMAssay Description:Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escherichia coli BL21 (DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu fluorogenic pept...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Shionogi

US Patent
LigandPNGBDBM210067(US9270353, 13)
Affinity DataIC50: 4.40nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM210067(US9270353, 13)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed