BDBM21639 (2S)-2-[2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid::Mercaptoacyl amino acid compound, (rac)-13::racemic mixture

SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2ccccc12

InChI Key InChIKey=AXECOZSOSVNVEZ-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 21639   

TargetNeprilysin(Rabbit)
Cnrs

LigandPNGBDBM21639((2S)-2-[2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpr...)
Affinity DataKi:  1.80nM ΔG°:  -12.4kcal/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
LigandPNGBDBM21639((2S)-2-[2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpr...)
Affinity DataKi:  20nMAssay 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
LigandPNGBDBM21639((2S)-2-[2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpr...)
Affinity DataKi:  100nMAssay 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