BDBM21642 (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid::CHEMBL1560::Capozide::Captopril::Lopirin::SQ 14,225::SQ14534::US11491146, Compound L-Captopril

SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O

InChI Key InChIKey=FAKRSMQSSFJEIM-RQJHMYQMSA-N

Data  17 KI  67 IC50  5 Kd  3 EC50  1 Koff

PDB links: 15 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 92 hits for monomerid = 21642   

TargetAngiotensin-converting enzyme(Oryctolagus cuniculus)
Squibb Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKi:  1.70nMAssay Description:Inhibitory activity against rabbit lung angiotensin-1 converting enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKi:  1.70nMAssay Description:Antihypertensive activity against human reninMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKi:  2nMAssay Description:Inhibition of ACE (unknown origin) assessed as 3-Hydroxybutyril-glycil-glycil-glycine conversion to 3-hydroxybutyric acid after 60 mins by WST assayMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Rattus norvegicus)
Cnrs

LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKi:  2nMAssay 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
TargetProthrombin(Homo sapiens (Human))
3-Dimensional Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKi:  48nMAssay Description:Inhibitory activity against thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMetallo-beta-lactamase VIM-2(Pseudomonas aeruginosa (g-Proteobacteria))
Individual

US Patent
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKi:  630nMAssay Description:To identify potential MBL inhibitors, the relative change in the formation of hydrolyzed nitrocefin between treated and untreated VIM2 was determined...More data for this Ligand-Target Pair
TargetNeprilysin(Oryctolagus cuniculus (rabbit))
Cnrs

LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKi: >1.00E+3nM ΔG°: >-8.51kcal/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
In DepthDetails ArticlePubMed
TargetSuccinyl-diaminopimelate desuccinylase(Haemophilus influenzae)
Loyola University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKi:  1.82E+3nMAssay Description:Inhibition of Haemophilus influenzae recombinant DapE by competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Pseudomonas aeruginosa)
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKi:  2.40E+3nMAssay Description:Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysisMore data for this Ligand-Target Pair
TargetLeukotriene A-4 hydrolase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKi:  3.70E+3nMAssay Description:Competitive inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using varying levels of L-arginine-7-amino-4-M...More data for this Ligand-Target Pair
TargetEndothelin-converting enzyme 1(Homo sapiens (Human))
Cnrs

LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
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
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKi:  1.20E+4nMAssay Description:Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKi:  1.70E+4nMAssay Description:Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-lactamase(Bacillus anthracis)
Baylor College Of Medicine

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKi:  1.79E+4nMAssay Description:Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysisMore data for this Ligand-Target Pair
TargetEEF1AKMT4-ECE2 readthrough transcript protein(Homo sapiens (Human))
Pharmaleads

LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
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
TargetBeta-lactamase TEM(Escherichia coli)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKi: >3.00E+5nMAssay Description:Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 15 member 1(Rattus norvegicus)
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKi:  8.70E+6nMAssay Description:TP_TRANSPORTER: inhibition of D-Phe-L-Gln uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Oryctolagus cuniculus)
Squibb Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  2.30nMAssay Description:In vitro inhibitory activity was evaluated against angiotensin converting enzyme from rabbit in bovine buffered base. (reported from ref. 1b)More data for this Ligand-Target Pair
In DepthDetails Article
TargetAngiotensin-converting enzyme(Oryctolagus cuniculus)
Squibb Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  13nMAssay Description:Compound was tested for its inhibitory activity against Angiotensin I converting enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Oryctolagus cuniculus)
Squibb Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  20nMAssay Description:Inhibitory concentration against angiotensin converting enzyme (ACE)More data for this Ligand-Target Pair
In DepthDetails Article
TargetAngiotensin-converting enzyme(Oryctolagus cuniculus)
Squibb Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  15nMAssay Description:In vitro inhibition of Angiotensin I converting enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Oryctolagus cuniculus)
Squibb Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  15nMAssay Description:In vitro inhibition of angiotensin I converting enzyme (ACE)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Oryctolagus cuniculus)
Squibb Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  22nMAssay Description:In vitro 50% inhibition of Angiotensin I converting enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Oryctolagus cuniculus)
Squibb Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  15nMAssay Description:Ability to inhibit Angiotensin I converting enzyme was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Oryctolagus cuniculus)
Squibb Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  17nMAssay 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)
Squibb Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  18nMAssay Description:In vitro inhibition of Angiotensin I converting enzyme in rabbit lungMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  11nMAssay Description:Inhibition of human ACE-mediated amyloid beta hydrolysisMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  1.60nMAssay Description:Inhibition of ACE (unknown origin) using 3-Hydroxybutylyl-Gly-Gly-Gly substrate assessed as reduction in 3-Hyroxybutylic acid generation incubated fo...More data for this Ligand-Target Pair
TargetLeukotriene A-4 hydrolase(Cavia porcellus)
Santen Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  6.30E+5nMAssay Description:Inhibition of guinea pig lung leukotriene A4 hydrolaseMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  23nMAssay Description:Inhibition of ACE (unknown origin)More data for this Ligand-Target Pair
TargetLeukotriene A-4 hydrolase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  1.40E+4nMAssay Description:Inhibition of human recombinant leukotriene A4 hydrolaseMore data for this Ligand-Target Pair
TargetMetallo-beta-lactamase VIM-2(Pseudomonas aeruginosa (g-Proteobacteria))
Individual

US Patent
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKon:  0.0250M-1s-1Assay Description:Reversible binding affinity to Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) measured for 15 s...More data for this Ligand-Target Pair
TargetMetallo-beta-lactamase VIM-2(Pseudomonas aeruginosa (g-Proteobacteria))
Individual

US Patent
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  3.50E+3nMAssay Description:Inhibition of Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) using nitrocefin as substrate prei...More data for this Ligand-Target Pair
TargetMetallo-beta-lactamase type 2(Klebsiella pneumoniae)
Uit The Arctic University Of Norway

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKd:  1.40E+4nMAssay Description:Binding affinity to His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetMetallo-beta-lactamase type 2(Klebsiella pneumoniae)
Uit The Arctic University Of Norway

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  4.98E+4nMAssay Description:Inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrateMore data for this Ligand-Target Pair
TargetMetallo-beta-lactamase type 2(Klebsiella pneumoniae)
Uit The Arctic University Of Norway

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKd:  1.41E+4nMAssay Description:Binding affinity to His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetMetallo-beta-lactamase type 2(Klebsiella pneumoniae)
Uit The Arctic University Of Norway

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  5.01E+4nMAssay Description:Inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrateMore data for this Ligand-Target Pair
TargetLeukotriene A-4 hydrolase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibitory activity against recombinant human Leukotriene A4 hydrolaseMore data for this Ligand-Target Pair
TargetLeukotriene A-4 hydrolase(Homo sapiens (Human))
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  70nMAssay Description:Inhibitory activity against Leukotriene A4 hydrolase from human leukocytesMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  30nMAssay Description:Compound was tested for inhibitory activity against Angiotensin I converting enzymeMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Oryctolagus cuniculus)
Squibb Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  23nMAssay Description:In vitro inhibition of rabbit lung Angiotensin I converting enzyme (ACE) using Hippuryl-His-Leu as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
TargetNeprilysin(Rattus norvegicus (Rat))
TBA

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  8.30E+5nMAssay Description:In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
TargetAngiotensin-converting enzyme(Rattus norvegicus)
Cnrs

LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  12nMAssay 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(Rattus norvegicus)
Cnrs

LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  156nMAssay Description:In vitro antihypertensive activity determined by inhibition of angiotensin I converting enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Rattus norvegicus)
Cnrs

LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  11nMAssay Description:In vitro inhibitory activity against Angiotensin I converting enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Rattus norvegicus)
Cnrs

LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  15nMAssay Description:Inhibition of Angiotensin I converting enzyme in ratMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  15nMAssay Description:In vitro inhibitory activity against Angiotensin I converting enzymeMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Oryctolagus cuniculus)
Squibb Institute For Medical Research

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  0nMAssay Description:In vitro inhibitory activity against Angiotensin I converting enzymeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  1.30E+3nMAssay Description:In vitro inhibitory activity against Angiotensin I converting enzyme from unpurified guinea pig serumMore data for this Ligand-Target Pair
TargetAngiotensin-converting enzyme(Homo sapiens (Human))
E£Tv£S Lor£Nd University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50:  13nMAssay Description:Inhibition of guinea pig angiotensin I converting enzymeMore data for this Ligand-Target Pair
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