BDBM21630 (2S)-3-(1H-indol-3-yl)-2-[2-(4-phenylphenyl)-3-sulfanylpropanamido]propanoic acid::Mercaptoacyl amino acid compound, (rac)-5::racemic mixture

SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CS)c1ccc(cc1)-c1ccccc1

InChI Key InChIKey=LZXLVSWNKGNKNT-GITCGBDTSA-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 = 21630   

TargetAngiotensin-converting enzyme(Rattus norvegicus)
Cnrs

LigandPNGBDBM21630((2S)-3-(1H-indol-3-yl)-2-[2-(4-phenylphenyl)-3-sul...)
Affinity DataKi:  77nMAssay 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
TargetNeprilysin(Oryctolagus cuniculus (rabbit))
Cnrs

LigandPNGBDBM21630((2S)-3-(1H-indol-3-yl)-2-[2-(4-phenylphenyl)-3-sul...)
Affinity DataKi:  135nM ΔG°:  -9.74kcal/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
TargetEndothelin-converting enzyme 1(Homo sapiens (Human))
Cnrs

LigandPNGBDBM21630((2S)-3-(1H-indol-3-yl)-2-[2-(4-phenylphenyl)-3-sul...)
Affinity DataKi:  4.15E+3nMAssay 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