BDBM21641 2-(2-benzyl-3-sulfanylpropanamido)acetic acid::CHEMBL10247::Thiorphan

SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1

InChI Key InChIKey=LJJKNPQAGWVLDQ-UHFFFAOYSA-N

Data  9 KI  34 IC50

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 42 hits for monomerid = 21641   

TargetNeprilysin(Oryctolagus cuniculus (rabbit))
Cnrs

LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataKi:  4nM ΔG°:  -11.9kcal/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
TargetNeprilysin(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataKi:  4.70nMAssay Description:Compound was evaluated for inhibition of recombinant human neprilysin(NEP).More data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataKi:  40nMAssay Description:Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidneyMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Rattus norvegicus)
Cnrs

LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataKi: >100nMAssay 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
TargetThermolysin(Bacillus thermoproteolyticus)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataKi:  1.80E+3nMAssay Description:Inhibitory constant against thermolysin.More data for this Ligand-Target Pair
TargetThermolysin(Bacillus thermoproteolyticus)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataKi:  1.81E+3nMAssay Description:pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)More data for this Ligand-Target Pair
TargetEndothelin-converting enzyme 1(Homo sapiens (Human))
Cnrs

LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataKi: >1.00E+4nMAssay 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
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Theravance Biopharma Us

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataKi: <1.00E+4nMAssay Description:Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEEF1AKMT4-ECE2 readthrough transcript protein(Homo sapiens (Human))
Pharmaleads

LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataKi: >1.00E+5nM IC50: >1.00E+5nMAssay Description:Inhibitory assay against ECE-2.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeprilysin(Oryctolagus cuniculus (rabbit))
Cnrs

LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  4nMAssay Description:Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...More data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  6nMAssay Description:Tested in vitro for the inhibition against neutral endopeptidase (NEP) from rat kidneyMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
University Of Paris

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  140nMAssay Description:Inhibitory concentration was evaluated by Inhibiting 50% of Angiotensin I converting enzyme activity using 50 microM N-Cbz-Phe-His-Leu as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeprilysin(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human NEP-mediated amyloid beta hydrolysisMore data for this Ligand-Target Pair
TargetNeprilysin(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  4.30nMAssay Description:Inhibition of neutral endopeptidaseMore data for this Ligand-Target Pair
TargetThermolysin(Bacillus thermoproteolyticus)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  9.50E+3nMAssay Description:Inhibitory concentration required to inhibit thermolysinMore data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  5nMAssay Description:In vitro inhibitory activity against neutral endopeptidase (NEP 24.11) from rat kidney cortex membranesMore data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  7.90nMAssay Description:In vitro inhibition of neutral endopeptidase from rat kidney.More data for this Ligand-Target Pair
TargetNeprilysin(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  7.90nMAssay Description:In vitro inhibition of Neutral EndopeptidaseMore data for this Ligand-Target Pair
TargetEndothelin-converting enzyme 1(Homo sapiens (Human))
Cnrs

LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50: >1.00E+5nMAssay Description:In vitro inhibition against recombinant human Endothelin converting enzyme 1 activityMore data for this Ligand-Target Pair
In DepthDetails Article
TargetNeprilysin(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  4.80nMAssay Description:Inhibition of neutral endopeptidase 24.11(NEP)More data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  6nMAssay Description:In vitro inhibition against neutral endopeptidase 24.11 (NEP) in rat kidney cortex membraneMore data for this Ligand-Target Pair
TargetNeprilysin(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  5nMAssay Description:In vitro inhibitory concentration against neutral endopeptidaseMore data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  4nMAssay Description:In vitro inhibition of enkephalinase purified from rat kidney.More data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  3nMAssay Description:Inhibition of enkephalinase activity in synaptic membranes prepared from rat striatumMore data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  4.80nMAssay Description:In vitro inhibition of Neutral endopeptidase (NEP) enzymeMore data for this Ligand-Target Pair
TargetEndothelin-converting enzyme 1(Homo sapiens (Human))
Cnrs

LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  8nMAssay Description:Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  5.40nMAssay Description:Evaluation of in vitro inhibitory activity against Neutral endopeptidaseMore data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  4.80nMAssay Description:In vitro inhibition of rat neutral endopeptidaseMore data for this Ligand-Target Pair
TargetEndothelin-converting enzyme 1(Homo sapiens (Human))
Cnrs

LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50: >1.00E+5nMAssay Description:In Vitro inhibition of recombinant human endothelin converting enzyme-1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeprilysin [1-24](Sus scrofa)
Dipartimento Di Chimica

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  6.20nMAssay Description:Inhibition of pig kidney NEP by fluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
University Of Paris

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  316nMAssay Description:Inhibition of angiotensin I converting enzyme in silicoMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeprilysin(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  2nMAssay Description:Inhibition of NEP (unknown origin) preincubated for 10 mins followed by fluorogenic substrate addition and measured after 20 mins by fluorescence ass...More data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  8.30nMAssay Description:The compound was tested in vitro for inhibition of Neutral endopeptidase by using ANF(atrial natriuretic factor) as substrateMore data for this Ligand-Target Pair
TargetNeprilysin(Oryctolagus cuniculus (rabbit))
Cnrs

LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  20nMAssay Description:Inhibitory activity against big ET-1 of Neutral endopeptidaseMore data for this Ligand-Target Pair
TargetNeprilysin(Oryctolagus cuniculus (rabbit))
Cnrs

LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  5nMAssay Description:Inhibitory activity against Leu-enkeph of Neutral endopeptidaseMore data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  1.5nMAssay Description:The compound was tested in vitro for inhibition of Neutral endopeptidase by using Leu enkephalin as substrateMore data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  4.80nMAssay Description:In vitro inhibition of rat neutral endopeptidase by using GAAP as substrateMore data for this Ligand-Target Pair
TargetNeprilysin(Oryctolagus cuniculus (rabbit))
Cnrs

LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  5nMAssay Description:Inhibition of enkephalinase activity in membranes prepared from rabbitMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Oryctolagus cuniculus)
Dainippon Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  420nMAssay Description:In vitro inhibitory activity against angiotensin I converting enzyme (ACE) from rabbit lungMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  2.60nMAssay Description:The compound was tested in vitro for its inhibitory activity against Enkephalinase enzymeMore data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  18nMT: 2°CAssay Description:Enzyme inhibition assay using neutrol endopeptiase EC 3.4.24.11 (NEP).More data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM21641(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Affinity DataIC50:  40nMAssay Description:The compound was tested for its inhibitory activity against neutral endopeptidase (EC.3.4.24.111) in rat kidneyMore data for this Ligand-Target Pair