BDBM50017129 (S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-ylamino)propanoyl)pyrrolidine-2-carboxylic acid::(S)-1-[(R)-2-((R)-1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-pyrrolidine-2-carboxylic acid::(S)-1-{(S)-2-[1-((S)-Ethoxycarbonyl)-3-phenyl-propylamino]-propionyl}-pyrrolidine-2-carboxylic acid::(S,S,S)-1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-pyrrolidine-2-carboxylic acid::(SSS)1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-pyrrolidine-2-carboxylic acid::1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-pyrrolidine-2-carboxylic acid::1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-pyrrolidine-2-carboxylic acid (Enalapril)::1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-pyrrolidine-2-carboxylic acid(Enalapril)::2-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid(enalapril)::CHEMBL578::ENALAPRIL::Enalapril maleate::Lexxel::Teczem::Vaseretic::Vasotec

SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O

InChI Key InChIKey=GBXSMTUPTTWBMN-XIRDDKMYSA-N

Data  1 KI  22 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50017129   

TargetSolute carrier family 15 member 1(Rattus norvegicus)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataKi:  4.30E+6nMAssay Description:TP_TRANSPORTER: inhibition of D-Phe-L-Gln uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Oryctolagus cuniculus)
Ciba-Geigy Corporation

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50:  2nMAssay Description:Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Oryctolagus cuniculus)
Ciba-Geigy Corporation

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50:  123nMAssay Description:Inhibition of rabbit lung ACE assessed as hippuryl-histidyl-leucine hydrolysis after 30 mins by colorimetric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50:  140nMAssay Description:Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50:  4.5nMAssay Description:In vitro inhibitory activity against Angiotensin I converting enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAngiotensin-converting enzyme(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50:  140nMAssay Description:In vitro inhibitory activity against Angiotensin I converting enzyme from unpurified guinea pig serumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAngiotensin-converting enzyme(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50:  140nMAssay Description:Inhibition of guinea pig angiotensin I converting enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAngiotensin-converting enzyme(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50:  140nMAssay Description:Compound was tested for its inhibitory potency against Angiotensin I converting enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAngiotensin-converting enzyme(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50:  1.27E+3nMAssay Description:Compound tested in vitro for inhibition of Angiotensin I converting enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAngiotensin-converting enzyme(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50:  4.5nMAssay Description:Inhibitory activity against angiotensin I converting enzyme (ACE)Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAngiotensin-converting enzyme(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of Angiotensin I converting enzyme (ACE) in Bothrops jararaca venomMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50:  1.20nMAssay Description:In vitro inhibition against angiotensin converting enzyme (ACE)More data for this Ligand-Target Pair
In DepthDetails Article
TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University Of California

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50: >5.00E+5nMAssay Description:Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSuccinyl-diaminopimelate desuccinylase(Haemophilus influenzae)
Loyola University

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of Haemophilus influenzae recombinant DapEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme 2(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50:  1.20E+3nMAssay Description:In vitro inhibition of Angiotensin I converting enzyme in Hog plasmaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 15 member 1(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50:  1.50E+7nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSolute carrier family 15 member 1(Homo sapiens (Human))
University Of Michigan

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50:  4.50E+6nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Oryctolagus cuniculus)
Ciba-Geigy Corporation

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50:  8.00E+3nMAssay Description:In vitro inhibitory activity against rabbit lung Angiotensin I converting enzyme at pH 8.3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Oryctolagus cuniculus)
Ciba-Geigy Corporation

Curated by ChEMBL
LigandPNGBDBM50017129((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...)
Affinity DataIC50:  800nMAssay Description:In vitro inhibition of Angiotensin I converting enzyme in rabbit lungMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed