BDBM314230 (S)—N—[(S)-1-(6-Acetylamino-2-methoxy-naphthalen-1-ylmethyl)-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl]-2-methylamino-propionamide hydrochloride::US9611224, Example 42

SMILES CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(NC(C)=O)ccc23)C1=O

InChI Key InChIKey=QQPLMKANTFVBLD-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 = 314230   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 314230BDBM314230(US9611224, Example 42 | (S)—N—[(S)-1-(6-...)
Affinity DataIC50: 294nMAssay 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 314230BDBM314230(US9611224, Example 42 | (S)—N—[(S)-1-(6-...)
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