BDBM21644 (2S)-3-(1H-indol-3-yl)-2-[(2S,3S)-3-phenyl-2-(sulfanylmethyl)butanamido]propanoic acid::Mercaptoacyl amino acid compound, 9a

SMILES C[C@@H]([C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccccc1

InChI Key InChIKey=NJEGUEXVKDRURH-WNYOCNMUSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 21644   

TargetNeprilysin(Oryctolagus cuniculus (rabbit))
Cnrs

LigandPNGBDBM21644((2S)-3-(1H-indol-3-yl)-2-[(2S,3S)-3-phenyl-2-(sulf...)
Affinity DataKi:  2.20nM ΔG°:  -12.3kcal/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 DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Rattus norvegicus)
Cnrs

LigandPNGBDBM21644((2S)-3-(1H-indol-3-yl)-2-[(2S,3S)-3-phenyl-2-(sulf...)
Affinity DataKi:  29nMAssay Description:Specific activity of ACE was assayed in black 96-well microplates with or without various concentrations of inhibitors. N-Cbz-Phe-His-Leu was added, ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndothelin-converting enzyme 1(Homo sapiens (Human))
Cnrs

LigandPNGBDBM21644((2S)-3-(1H-indol-3-yl)-2-[(2S,3S)-3-phenyl-2-(sulf...)
Affinity DataKi:  100nMAssay Description:ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed