null

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

InChI Key InChIKey=LJJKNPQAGWVLDQ-SNVBAGLBSA-N

PDB links: 2 PDB IDs match this monomer.

  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 18 hits for monomerid = 50024102   

TargetNeprilysin(Homo sapiens (Human))
Pharmaleads , Paris BioPark, 11 Rue Watt, 75013 Paris, France.

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

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)copy SMILEScopy InChI
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 , Paris BioPark, 11 Rue Watt, 75013 Paris, France.

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)copy SMILEScopy InChI
Affinity DataKi:  1.90nMMore data for this Ligand-Target Pair
TargetNeprilysin(Homo sapiens (Human))
Pharmaleads , Paris BioPark, 11 Rue Watt, 75013 Paris, France.

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)copy SMILEScopy InChI
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 , Paris BioPark, 11 Rue Watt, 75013 Paris, France.

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)copy SMILEScopy InChI
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
TargetAngiotensin-converting enzyme(Homo sapiens (Human))TBA
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)copy SMILEScopy InChI
Affinity DataKi:  130nMMore data for this Ligand-Target Pair
In DepthDetails
TargetThermolysin(Bacillus thermoproteolyticus)
INSERM

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)copy SMILEScopy InChI
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2V989WWPubMed
TargetAngiotensin-converting enzyme(Homo sapiens (Human))TBA
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2D2223ZPubMed
TargetNeprilysin(Homo sapiens (Human))
Pharmaleads , Paris BioPark, 11 Rue Watt, 75013 Paris, France.

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)copy SMILEScopy InChI
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))TBA
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)copy SMILEScopy InChI
Affinity DataIC50: 140nMAssay Description:Inhibitory activity against angiotensin-converting enzyme (ACE).Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2JD4XH4PubMed
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Inhibitory activity against EndopeptidaseChecked by AuthorMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))TBA
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)copy SMILEScopy InChI
Affinity DataIC50: 860nMAssay Description:Inhibitory activity against angiotensin I converting enzyme (ACE)Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2JD4XH4PubMed
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50024102(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)copy SMILEScopy InChI
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...)copy SMILEScopy InChI
Affinity DataIC50: 1.90nMAssay Description:Concentration for 50% inhibition of activity of rat kidney enkephalinaseMore data for this Ligand-Target Pair
TargetThermolysin(Bacillus thermoproteolyticus)
INSERM

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

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