BDBM314249 (S)-2-(Azetidin-3-ylamino)-N—((S)-1-((6-bromo-2-methoxy naphthalen-1-yl)methyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[13]azepin-3-yl)propanamide dihydrochloride::US9611224, Example 62

SMILES COc1ccc2cc(Br)ccc2c1CN1c2ccccc2CC[C@H](NC(=O)[C@H](C)NC2CNC2)C1=O

InChI Key InChIKey=ACBJSBRIKPDCDF-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 = 314249   

TargetBaculoviral IAP repeat-containing protein 2(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 314249BDBM314249(US9611224, Example 62 | (S)-2-(Azetidin-3-ylamino)...)
Affinity DataIC50: 2.38E+3nMAssay Description:The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6× ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2019
Entry Details
US Patent

TargetBaculoviral IAP repeat-containing protein 3(Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 314249BDBM314249(US9611224, Example 62 | (S)-2-(Azetidin-3-ylamino)...)
Affinity DataIC50: 5.48E+4nMAssay Description:The peptide AVPIAQKSEK-(ε-biotin)-OH (SEQ ID NO: 1) 1:2 TFA (Peptide A) was identified as a substrate for the TR-FRET assay by screening the 6× ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2019
Entry Details
US Patent