BDBM50024102 ((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-acetic acid::(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-GLYCINE::(S) (2-Mercaptomethyl-3-phenyl-propionylamino)-acetic acid::2-[1-(2-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl-ethylamino]-4-phenyl-butyric acid(Thiorphan)::CHEMBL298827

SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1

InChI Key InChIKey=LJJKNPQAGWVLDQ-SNVBAGLBSA-N

Data  7 KI  9 IC50

PDB links: 2 PDB IDs match this monomer.

  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 16 hits for monomerid = 50024102   

TargetNeprilysin(Homo sapiens (Human))
Pharmaleads

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataKi:  1.5nMAssay Description:Inhibition of human recombinant NEP using Suc-Ala-Ala-Phe-AMC as substrate after 30 mins by fluorimetryMore data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataKi:  1.90nMAssay Description:Inhibition of neutral endopeptidase(NEP).More data for this Ligand-Target Pair
TargetNeprilysin(Oryctolagus cuniculus (rabbit))
University Of Paris

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataKi:  1.90nMAssay Description:Tested for binding affinity against neutral endopeptidase (NEP)More data for this Ligand-Target Pair
TargetNeprilysin(Homo sapiens (Human))
Pharmaleads

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataKi:  2.20nMAssay Description:Compound was evaluated for inhibition of recombinant human neprilysin(NEP).More data for this Ligand-Target Pair
TargetNeprilysin(Homo sapiens (Human))
Pharmaleads

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataKi:  5.5nMAssay Description:Inhibition of recombinant human Neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...More data for this Ligand-Target Pair
TargetThermolysin(Bacillus thermoproteolyticus)
University Of Paris

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataKi:  1.80E+3nMAssay Description:Tested for binding against ThermolysinMore data for this Ligand-Target Pair
TargetAminopeptidase N(Homo sapiens (Human))
Pharmaleads

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of recombinant human Aminopeptidase N using L-Ala-beta-NA as substrate preincubated for 30 mins followed by substrate addition measured af...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeprilysin(Homo sapiens (Human))
Pharmaleads

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataIC50:  20nMAssay Description:Inhibition of human NEP using MCA-RPPGFSAFK-Dnp-OH as substrate by fluorescence based analysisMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataIC50:  140nMAssay Description:Inhibitory activity against angiotensin-converting enzyme (ACE).Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataIC50:  4nMAssay Description:Inhibitory activity against EndopeptidaseChecked by AuthorMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataIC50:  860nMAssay Description:Inhibitory activity against angiotensin I converting enzyme (ACE)Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataIC50:  1.90nMAssay Description:Compound was tested for inhibition of rat kidney neutral endopeptidaseMore data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataIC50:  1.90nMAssay Description:Concentration for 50% inhibition of activity of rat kidney enkephalinaseMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
University Of Queensland

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataIC50:  1.02E+4nMAssay Description:Inhibition of human ACE using MCA-RPPGFSAFK-Dnp-OH as substrate by fluorescence based analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThermolysin(Bacillus thermoproteolyticus)
University Of Paris

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataIC50:  1.80E+3nMAssay Description:Tested for binding affinity against ThermolysinMore data for this Ligand-Target Pair
TargetNeprilysin(Oryctolagus cuniculus (rabbit))
University Of Paris

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataIC50:  1.90nMAssay Description:Tested for inhibition against neutral endopeptidase (NEP)More data for this Ligand-Target Pair