BDBM600714 US11629154, Example I-068

SMILES COc1cnc(cn1)C(=O)Nc1ccc(Cl)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@@H](C)OC[C@H]12

InChI Key InChIKey=IHFWWLNJKOKOAJ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 600714   

TargetBeta-secretase 1(Human)
Shionogi

US Patent
LigandPNGBDBM600714(US11629154, Example I-068)
Affinity DataIC50: 11.2nMAssay Description:To explore the BACE1 versus BACE2 enzyme selectivity, the binding affinity (Ki) to the respective purified enzymes was determined in a competitive ra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2023
Entry Details
US Patent

TargetBeta-secretase 2(Human)
Shionogi

US Patent
LigandPNGBDBM600714(US11629154, Example I-068)
Affinity DataIC50: 275nMAssay Description:To explore the BACE1 versus BACE2 enzyme selectivity, the binding affinity (Ki) to the respective purified enzymes was determined in a competitive ra...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/27/2023
Entry Details
US Patent