BDBM16047 (4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid::CHEMBL78946::EVNXXAEF::N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine::OM99-2

SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

InChI Key InChIKey=NIOCOJFPGCXNKL-ZKZXETMPSA-N

Data  16 KI  18 IC50  1 Kd

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 2 hits for monomerid = 16047   

TargetBeta-secretase 1(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM16047((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...)
Affinity DataIC50:  1.60nMAssay Description:Inhibition of human BACE1 by FRETMore data for this Ligand-Target Pair
TargetBeta-secretase 1(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM16047((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...)
Affinity DataIC50:  1.60nMAssay Description:Inhibition of human BACE1 by FRET based peptide cleavage assayMore data for this Ligand-Target Pair