BDBM50432609 CHEMBL2347203::US8999980, I-6

SMILES C[C@]1(CCOC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F

InChI Key InChIKey=ZTXUJRWOHXVUAT-SFHVURJKSA-N

Data  10 IC50

PDB links: 1 PDB ID matches this monomer.

  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 10 hits for monomerid = 50432609   

TargetBeta-secretase 1(Homo sapiens (Human))
Shionogi

US Patent
LigandPNGBDBM50432609(CHEMBL2347203 | US8999980, I-6)
Affinity DataIC50:  54nMpH: 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
TargetBeta-secretase 1(Homo sapiens (Human))
Shionogi

US Patent
LigandPNGBDBM50432609(CHEMBL2347203 | US8999980, I-6)
Affinity DataIC50:  54nMAssay Description:Inhibition of recombinant human BACE1 using biotin-XSEVNLDAEFRHDSGC-Eu as substrate after 3 hrs by fluorescence assayMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Shionogi

US Patent
LigandPNGBDBM50432609(CHEMBL2347203 | US8999980, I-6)
Affinity DataIC50:  14nMAssay Description:Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLIS...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Shionogi

US Patent
LigandPNGBDBM50432609(CHEMBL2347203 | US8999980, I-6)
Affinity DataIC50:  51nMAssay Description:Inhibition of human BACE1 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...More data for this Ligand-Target Pair
TargetBeta-secretase 2(Homo sapiens (Human))
Shionogi Pharmaceutical Research Center

Curated by ChEMBL
LigandPNGBDBM50432609(CHEMBL2347203 | US8999980, I-6)
Affinity DataIC50:  166nMAssay Description:Inhibition of BACE2 (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate incubated for 2 hrs by FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1(Homo sapiens (Human))
Shionogi

US Patent
LigandPNGBDBM50432609(CHEMBL2347203 | US8999980, I-6)
Affinity DataIC50:  118nMAssay 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
TargetBeta-secretase 1(Homo sapiens (Human))
Shionogi

US Patent
LigandPNGBDBM50432609(CHEMBL2347203 | US8999980, I-6)
Affinity DataIC50:  118nMAssay Description:Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escherichia coli BL21(DE3) using Biotin-epsilon-amino-n-capronic acid-SEVNLDA...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Shionogi

US Patent
LigandPNGBDBM50432609(CHEMBL2347203 | US8999980, I-6)
Affinity DataIC50:  3.70nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells harboring wild-type human beta-APP assessed as reduction in secreted amyloid beta (1 to 40) after 24 hrs b...More data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Shionogi

US Patent
LigandPNGBDBM50432609(CHEMBL2347203 | US8999980, I-6)
Affinity DataIC50:  32nMAssay Description:Inhibition of BACE1 (1 to 454 residues) (unknown origin) using APP harboring Swedish Lys/Met mutant-derived peptide as substrate by FRET assayMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Shionogi

US Patent
LigandPNGBDBM50432609(CHEMBL2347203 | US8999980, I-6)
Affinity DataIC50:  3.70nMAssay 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