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-XLCYBJAPSA-N

Data  3 KI  31 IC50  1 Kd

PDB links: 9 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 34 hits for monomerid = 50251742   

TargetEEF1AKMT4-ECE2 readthrough transcript protein(Homo sapiens (Human))
Pharmaleads

LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataKi:  1.20nM IC50:  2.33nMAssay Description:Inhibitory assay against ECE-2.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataKi:  4nMAssay Description:Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidneyMore data for this Ligand-Target Pair
TargetThermolysin(Bacillus thermoproteolyticus)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataKi:  28nMAssay Description:Inhibitory constant against thermolysin.More data for this Ligand-Target Pair
TargetEndothelin-converting enzyme 1(Homo sapiens (Human))
Cea

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of human somatic ECE1More data for this Ligand-Target Pair
TargetNeprilysin(Homo sapiens (Human))
Cea

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  30nMAssay Description:Inhibition of human somatic NEPMore data for this Ligand-Target Pair
TargetNeprilysin(Homo sapiens (Human))
Cea

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
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
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  4.20nMAssay Description:compound was tested for inhibitory activity against neutral endopeptidase (NEP)More data for this Ligand-Target Pair
TargetEndothelin-converting enzyme 1(Homo sapiens (Human))
Cea

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  100nMAssay Description:Inhibition of Endothelin-converting enzyme of guinea pig lung membraneMore data for this Ligand-Target Pair
TargetEndothelin-converting enzyme 1(Homo sapiens (Human))
Cea

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  800nMAssay Description:Inhibition of endothelin-converting enzyme in human umbilical vein endothelial cellsMore data for this Ligand-Target Pair
TargetEndothelin-converting enzyme 1(Homo sapiens (Human))
Cea

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
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
TargetEndothelin-converting enzyme 1(Homo sapiens (Human))
Cea

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  1.20E+3nMAssay Description:In vitro inhibition against recombinant human Endothelin converting enzyme 1 activityMore data for this Ligand-Target Pair
TargetNeprilysin(Homo sapiens (Human))
Cea

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  30nMAssay Description:Inhibition of neutral endopeptidase 24.11(NEP)More data for this Ligand-Target Pair
TargetEndothelin-converting enzyme 1(Homo sapiens (Human))
Cea

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  4.00E+3nMAssay Description:Inhibition of putative Endothelin-converting enzyme partially purified from rabbit lung membranesMore data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
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
TargetEndothelin-converting enzyme 1(Bos taurus)
TBA

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
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
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  0.600nMAssay Description:Inhibition of enkephalinase activity in synaptic membranes prepared from rat striatumMore data for this Ligand-Target Pair
TargetEndothelin-converting enzyme 1(Homo sapiens (Human))
Cea

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
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
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  27nMAssay Description:In vitro inhibition of Neutral endopeptidase (NEP) enzymeMore data for this Ligand-Target Pair
TargetEndothelin-converting enzyme 1(Homo sapiens (Human))
Cea

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  0.800nMAssay Description:Inhibitory activity against human bronchiolar smooth muscle Endothelin-converting enzyme 1More data for this Ligand-Target Pair
TargetThermolysin(Bacillus thermoproteolyticus)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  33nMAssay Description:Inhibitory activity against thermolysin with 0.5 uM [Leu5]-enkephalin (NEN)More data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  26nMAssay Description:Evaluation of in vitro inhibitory activity against Neutral endopeptidaseMore data for this Ligand-Target Pair
TargetEndothelin-converting enzyme 1(Homo sapiens (Human))
Cea

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
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
TargetNeprilysin(Homo sapiens (Human))
Cea

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  30nMAssay Description:Inhibitory activity against neutral endopeptidase (NEP).More data for this Ligand-Target Pair
TargetEndothelin-converting enzyme 1(Homo sapiens (Human))
Cea

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  1.20E+3nMAssay Description:In Vitro inhibition of recombinant human endothelin converting enzyme-1More data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  30nMAssay Description:In vitro inhibition of rat neutral endopeptidaseMore data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  200nMAssay Description:Inhibitory activity against neutral endopeptidase (NEP) from rat cortex brain membraneMore data for this Ligand-Target Pair
TargetNeprilysin(Homo sapiens (Human))
Cea

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  100nMAssay Description:Inhibitory activity against neutral endopeptidase (NEP) from human blood serumMore data for this Ligand-Target Pair
TargetEndothelin-converting enzyme 1(Homo sapiens (Human))
Cea

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  800nMAssay Description:Inhibitory concentration against human ECE-1 by RIAMore data for this Ligand-Target Pair
TargetEndothelin-converting enzyme 1(Homo sapiens (Human))
Cea

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  17nMAssay Description:Inhibition of human recombinant ECE1 by fluorimetryMore data for this Ligand-Target Pair
TargetThermolysin(Bacillus thermoproteolyticus)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataKd:  28nMAssay Description:Binding affinity against ThermolysinMore data for this Ligand-Target Pair
TargetNeprilysin(Oryctolagus cuniculus (rabbit))
Berlex Laboratories

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  2nMAssay Description:Inhibitory activity against big ET-1 of Neutral endopeptidaseMore data for this Ligand-Target Pair
TargetNeprilysin(Oryctolagus cuniculus (rabbit))
Berlex Laboratories

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  6nMAssay Description:Inhibitory activity against Leu-enkeph of Neutral endopeptidaseMore data for this Ligand-Target Pair
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
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
TargetNeprilysin(Oryctolagus cuniculus (rabbit))
Berlex Laboratories

Curated by ChEMBL
LigandPNGBDBM50251742((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Affinity DataIC50:  0.400nMAssay Description:Inhibition of enkephalinase activity in membranes prepared from rabbitMore data for this Ligand-Target Pair