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-UHFFFAOYSA-N

Data  9 KI  9 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50024102   

TargetNeprilysin(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
In Depth
Date in BDB:
10/27/2012
Entry Details Article
PubMed
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
In Depth
Date in BDB:
10/27/2012
Entry Details Article
PubMed
TargetNeprilysin(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
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAngiotensin-converting enzyme(Human)
University of Bath

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 Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetNeprilysin(Human)
University of Bath

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
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetAngiotensin-converting enzyme(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataIC50: 140nMAssay Description:Inhibitory activity against angiotensin-converting enzyme (ACE).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetNeprilysin(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
In Depth
Date in BDB:
8/21/2010
Entry Details Article

TargetNeprilysin(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataIC50: 4nMAssay Description:Inhibitory activity against EndopeptidaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetAngiotensin-converting enzyme(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataIC50: 860nMAssay Description:Inhibitory activity against angiotensin I converting enzyme (ACE)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetNeprilysin(Human)
University of Bath

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
In Depth
Date in BDB:
2/12/2015
Entry Details Article
PubMed
TargetNeprilysin(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataKi:  1.90nMAssay Description:Binding affinity to neutral endopeptidase (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetNeprilysin(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
In Depth
Date in BDB:
8/21/2010
Entry Details Article

TargetNeprilysin(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
In Depth
Date in BDB:
10/27/2012
Entry Details Article
PubMed
TargetNeprilysin(Human)
University of Bath

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
In Depth
Date in BDB:
8/21/2010
Entry Details Article

TargetNeprilysin(Human)
University of Bath

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
In Depth
Date in BDB:
12/13/2016
Entry Details Article
PubMed
TargetAngiotensin-converting enzyme(Human)
University of Bath

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Affinity DataKi:  130nMAssay Description:Binding affinity to angiotensin-converting enzyme (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
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
In Depth
Date in BDB:
10/27/2012
Entry Details Article
PubMed
TargetAminopeptidase N(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 Depth
Date in BDB:
12/13/2016
Entry Details Article
PubMed