BDBM21638 (2S)-3-(1H-indol-3-yl)-2-[3-(naphthalen-1-yl)-2-(sulfanylmethyl)butanamido]propanoic acid::Mercaptoacyl amino acid compound, (rac)-12::racemic mixture

SMILES CC(C(CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1cccc2ccccc12

InChI Key InChIKey=VTSXTPMKHFFGTJ-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 21638   

TargetNeprilysin(Rabbit)
Cnrs

LigandPNGBDBM21638(racemic mixture | (2S)-3-(1H-indol-3-yl)-2-[3-(nap...)
Affinity DataKi:  51nM ΔG°:  -10.3kcal/molepH: 7.4 T: 2°CAssay Description:NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2008
Entry Details Article
PubMed
LigandPNGBDBM21638(racemic mixture | (2S)-3-(1H-indol-3-yl)-2-[3-(nap...)
Affinity DataKi:  79nMAssay Description:NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2008
Entry Details Article
PubMed
LigandPNGBDBM21638(racemic mixture | (2S)-3-(1H-indol-3-yl)-2-[3-(nap...)
Affinity DataKi:  600nMAssay Description:NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2008
Entry Details Article
PubMed