BDBM50251742 (3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yl hydrogen (S)-1-((S)-1-(1H-indol-3-yl)-3-oxobutan-2-ylamino)-4-methyl-1-oxopentan-2-ylphosphoramidate::(S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid::(S)-2-{(S)-2-[Hydroxy-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid::(S)-2-{(S)-2-[Hydroxy-((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid::(S)-2-{(S)-2-[Hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-1-oxo-pentylamino}-3-(1H-indol-3-yl)-propionic acid::(S)-2-{(S)-2-[Hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid::(S)-3-(1-Hydroxy-1H-indol-3-yl)-2-{(S)-2-[hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-propionic acid::(phosphoramidon) 2-{2-[Hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid::2-{2-[Hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid::2-{2-[Hydroxy-(3,4,6-trihydroxy-5-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid( Phosphoramidon)::CHEMBL479579::N-alpha-L-rhamnopyranosyloxy(hydroxyphosphinyl)-L-Leucyl-L-Tryptophan::Phosphoramidon::Phosporamidon::phosphramidon

SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key InChIKey=ZPHBZEQOLSRPAK-UHFFFAOYSA-N

Data  4 KI  31 IC50  1 Kd

  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 35 hits for monomerid = 50251742   

TargetEndothelin-converting enzyme 1(Human)
Novartis Institute For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 1.20E+3nMAssay Description:In Vitro inhibition of recombinant human endothelin converting enzyme-1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetNeprilysin(Rat)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of enkephalinase activity in synaptic membranes prepared from rat striatumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2012
Entry Details Article
PubMed
TargetEndothelin-converting enzyme 1(Human)
Novartis Institute For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of endothelin converting enzyme in an RIA assay using ET-1 as substrate (value corresponds to <25% inhibition when assayed at a 100 uM scr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2012
Entry Details Article
PubMed
TargetNeprilysin(Rat)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 27nMAssay Description:In vitro inhibition of Neutral endopeptidase (NEP) enzymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/28/2012
Entry Details Article
PubMed
TargetEndothelin-converting enzyme 1(Human)
Novartis Institute For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 0.800nMAssay Description:Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
TargetThermolysin(Bacillus thermoproteolyticus)
Berlex Laboratories

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 33nMAssay Description:Inhibitory activity against thermolysin with 0.5 uM [Leu5]-enkephalin (NEN)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
TargetNeprilysin(Rat)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 26nMAssay Description:Evaluation of in vitro inhibitory activity against Neutral endopeptidaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/31/2012
Entry Details Article
PubMed
TargetEndothelin-converting enzyme 1(Human)
Novartis Institute For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2012
Entry Details Article
PubMed
TargetNeprilysin(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 30nMAssay Description:Inhibitory activity against neutral endopeptidase (NEP).More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2012
Entry Details Article
PubMed
TargetNeprilysin(Rabbit)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 0.400nMAssay Description:Inhibition of enkephalinase activity in membranes prepared from rabbitMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2012
Entry Details Article
PubMed
TargetNeprilysin(Rat)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 30nMAssay Description:In vitro inhibition of rat neutral endopeptidaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2012
Entry Details Article
PubMed
TargetNeprilysin(Rat)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 200nMAssay Description:Inhibitory activity against neutral endopeptidase (NEP) from rat cortex brain membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetNeprilysin(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 100nMAssay Description:Inhibitory activity against neutral endopeptidase (NEP) from human blood serumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetEndothelin-converting enzyme 1(Human)
Novartis Institute For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 800nMAssay Description:Inhibitory concentration against human ECE-1 by RIAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetEndothelin-converting enzyme 1(Human)
Novartis Institute For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 17nMAssay Description:Inhibition of human recombinant ECE1 by fluorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/24/2012
Entry Details Article
PubMed
TargetThermolysin(Bacillus thermoproteolyticus)
Berlex Laboratories

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataKd:  28nMAssay Description:Binding affinity against ThermolysinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2020
Entry Details Article
PubMed
TargetNeprilysin(Rat)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 34nMAssay Description:Inhibition of rat kidney NEP using glutaryl-Ala-Ala-beta-naphthylamide as substrate preincubated with enzyme for 15 mins followed by substrate additi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetNeprilysin(Rabbit)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 6nMAssay Description:Inhibitory activity against Leu-enkeph of Neutral endopeptidaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
TargetEndothelin-converting enzyme 1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 3.10E+3nMAssay Description:Inhibition of Endothelin-converting enzyme (ECE) from microsomal fractions of bovine cultured endothelial cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2012
Entry Details Article

TargetNeprilysin(Rat)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 4.20nMAssay Description:Inhibitory activity against neutral endopeptidase (NEP)prepared from microsomal fractions of rat small intestineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2012
Entry Details Article

TargetEndothelin-converting enzyme 1(Human)
Novartis Institute For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of putative Endothelin-converting enzyme partially purified from rabbit lung membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2012
Entry Details Article

TargetNeprilysin(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 30nMAssay Description:Inhibition of neutral endopeptidase 24.11(NEP)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2012
Entry Details Article

TargetEndothelin-converting enzyme 1(Human)
Novartis Institute For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 1.20E+3nMAssay Description:In vitro inhibition against recombinant human Endothelin converting enzyme 1 activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2012
Entry Details Article

TargetEndothelin-converting enzyme 1(Human)
Novartis Institute For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 500nMAssay Description:In vitro inhibition of phosphoramidon-sensitive membrane bound zinc metalloprotease Endothelin-converting enzyme from partially purified guinea pig l...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2012
Entry Details Article

TargetEndothelin-converting enzyme 1(Human)
Novartis Institute For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 800nMAssay Description:Inhibition of endothelin-converting enzyme in human umbilical vein endothelial cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2012
Entry Details Article

TargetEndothelin-converting enzyme 1(Human)
Novartis Institute For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 100nMAssay Description:Inhibition of Endothelin-converting enzyme of guinea pig lung membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2012
Entry Details Article

TargetNeprilysin(Rat)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 4.20nMAssay Description:compound was tested for inhibitory activity against neutral endopeptidase (NEP)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2012
Entry Details Article

TargetNeprilysin(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 2nMAssay Description:Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2012
Entry Details Article
PubMed
TargetNeprilysin(Human)
Novartis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 30nMAssay Description:Inhibition of human somatic NEPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMed
TargetEndothelin-converting enzyme 1(Human)
Novartis Institute For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of human somatic ECE1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMed
TargetNeprilysin(Rabbit)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataIC50: 2nMAssay Description:Inhibitory activity against big ET-1 of Neutral endopeptidaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2012
Entry Details Article
PubMed
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataKi:  1.20nM IC50: 2.33nMAssay Description:Inhibitory assay against ECE-2.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2012
Entry Details Article
PubMed
TargetNeprilysin(Rat)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataKi:  4nMAssay Description:Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of humanMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/14/2012
Entry Details Article
PubMed
TargetThermolysin(Bacillus thermoproteolyticus)
Berlex Laboratories

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataKi:  28nMAssay Description:Inhibitory constant against thermolysin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/22/2012
Entry Details Article
PubMed
TargetElastase(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
Helmholtz Institute For Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL
LigandPNGBDBM50251742((S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trih...)
Affinity DataKi:  57nMAssay Description:Inhibition of Pseudomonas aeruginosa LasB elastase using aminobenzoyl-Ala-Gly-Leu-Ala-p-nitro-benzyl-amide as substrate b microtiter-based fluorimetr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed