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-UHFFFAOYSA-N

Data  17 KI  72 IC50  6 Kd  3 EC50  1 Koff

  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 98 hits for monomerid = 21642   

TargetBeta-lactamase(Pseudomonas aeruginosa)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 5.00E+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
In DepthDetails Article
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Rorer Central Research

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 25nMAssay Description:In vitro inhibition of Angiotensin I converting enzyme in Hog plasmaMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAngiotensin-converting enzyme(Rat)
TBA

Curated by ChEMBL
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 Article
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Rorer Central Research

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 12nMAssay Description:Concentration required for 50% inhibition of Angiotensin I converting enzymeMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAngiotensin-converting enzyme(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 22.9nMAssay Description:Inhibitory activity against angiotensin converting enzyme (ACE)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAngiotensin-converting enzyme(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 79.4nMAssay Description:Inhibition of angiotensin I converting enzyme in silicoMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAngiotensin-converting enzyme(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 23nMAssay Description:Inhibitory activity against angiotensin converting enzyme (ACE)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAngiotensin-converting enzyme(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 5nMAssay Description:Inhibition of ACE by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAngiotensin-converting enzyme(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 0.120nMAssay Description:Inhibition of human recombinant ACE by fluorimetryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSuccinyl-diaminopimelate desuccinylase(Haemophilus influenzae (strain ATCC 51907 / DSM 11...)
Loyola University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of Haemophilus influenzae recombinant DapEMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBeta-lactamase(Bacillus anthracis)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 2.58E+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
In DepthDetails Article
PubMed
TargetAngiotensin-converting enzyme(Rabbit)
TBA

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 Article
PubMed
TargetAngiotensin-converting enzyme(Rabbit)
TBA

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 3.60nMAssay Description:In vitro inhibitory activity was evaluated against angiotensin converting enzyme from rabbit in bovine buffered baseMore data for this Ligand-Target Pair
In DepthDetails Article

TargetAngiotensin-converting enzyme(Rabbit)
TBA

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 3.60nMAssay Description:In vitro inhibitory activity was evaluated against angiotensin converting enzyme from rabbit in bovine buffered baseMore data for this Ligand-Target Pair
In DepthDetails Article

TargetAngiotensin-converting enzyme 2(Human)
Rorer Central Research

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 10nMAssay Description:In vitro inhibitory concentration against angiotensin-converting enzymeMore data for this Ligand-Target Pair
In DepthDetails Article

TargetAngiotensin-converting enzyme 2(Human)
Rorer Central Research

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 23nMAssay Description:In vitro inhibition against angiotensin converting enzyme (ACE)More data for this Ligand-Target Pair
In DepthDetails Article

TargetLeukotriene A-4 hydrolase(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKd:  8.47E+3nMAssay Description:Binding affinity to human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H at 35 degC by ITC methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetLeukotriene A-4 hydrolase(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKd:  6.25E+3nMAssay Description:Binding affinity to human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H at 25 degC by ITC methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetLeukotriene A-4 hydrolase(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H using L-arginine-7-amino-4-Methylcoumarine as substrate pr...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetNeprilysin(Human)
Organon Laboratories

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 8.30E+5nMAssay Description:Inhibitory concentration against neutral endopeptidaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAngiotensin-converting enzyme(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 23nMAssay Description:Inhibitory concentration against angiotensin I converting enzymeMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAngiotensin-converting enzyme(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 23nMAssay Description:Inhibitory activity against angiotensin I converting enzyme (ACE)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAngiotensin-converting enzyme(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataEC50:  2.12E+4nMAssay Description:Inhibition of human ACE C domainMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMetallo-beta-lactamase type 2(Pseudomonas aeruginosa (g-Proteobacteria))
Freie University Berlin

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKd:  4.35E+5nMAssay Description:Binding affinity to C-terminal 6His-tagged full length biotin-labeled NDM-1 (unknown origin) expressed in Escherichia coli BL21-DE3 assessed as disso...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetAngiotensin-converting enzyme(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 12nMAssay Description:Inhibition of angiotensin-converting enzyme (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetMetallo-beta-lactamase type 2(Pseudomonas aeruginosa (g-Proteobacteria))
Freie University Berlin

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 1.97E+5nMAssay Description:Inhibition of NDM-1 (1 to 270 residues) (unknown origin) expressed in Escherichia coli Transetta (DE3) using FC5 as fluorescence substrate preincubat...More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetAngiotensin-converting enzyme(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 6.30nMAssay Description:Inhibition of ACE (unknown origin) using tripeptide Hip-His-Leu-OH as substrate incubated for 4 mins by fluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetAngiotensin-converting enzyme(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 30nMAssay Description:Inhibition of ACE (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetMetallo-beta-lactamase type 2(Pseudomonas aeruginosa (g-Proteobacteria))
Freie University Berlin

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 1.57E+5nMAssay Description:Inhibition of NDM1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetAngiotensin-converting enzyme(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 420nMAssay Description:Inhibition of angiotensin converting enzyme (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetMetallo-beta-lactamase VIM-2(Pseudomonas aeruginosa (g-Proteobacteria))
Individual

US Patent
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 6.60E+3nMAssay 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
In DepthDetails
US Patent

TargetAngiotensin-converting enzyme(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataEC50:  1.42E+6nMAssay Description:Inhibition of human ACE Y1096F mutantMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAngiotensin-converting enzyme(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataEC50:  1.85E+4nMAssay Description:Inhibition of human ACE K1087A mutantMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetLeukotriene A-4 hydrolase(Human)
Goethe-University Frankfurt

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataKd:  6.37E+3nMAssay Description:Binding affinity to human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H at 15 degC by ITC methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAngiotensin-converting enzyme(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 25nMAssay Description:Inhibition of ACE (unknown origin) using hippuryl-L-histidyl-L-leucine as substrate preincubated with substrate for 30 mins followed by enzyme additi...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAngiotensin-converting enzyme(Human)
Washington University

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 6.30nMAssay Description:Inhibition of human ACE using Hip-His-Leu-OH as substrate after 1 hr by fluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAngiotensin-converting enzyme(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 3.20nMAssay Description:Inhibition of Wistar rat plasma angiotensin 1-converting enzyme using H-hippuryl-His-Leu-OH as substrate after 20 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
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 Article
PubMed
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
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 Article
PubMed
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
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 Article
PubMed
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
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 Article
PubMed
TargetAngiotensin-converting enzyme 2(Human)
Rorer Central Research

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 9nMAssay Description:Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAngiotensin-converting enzyme(Rabbit)
TBA

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 23nMAssay Description:In vitro inhibitory activity against rabbit lung Angiotensin I converting enzymeMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAngiotensin-converting enzyme(Rabbit)
TBA

Curated by ChEMBL
LigandPNGBDBM21642((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Affinity DataIC50: 23nMAssay Description:In vitro inhibitory activity against rabbit lung Angiotensin I converting enzymeMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAngiotensin-converting enzyme(Human)
Washington 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
In DepthDetails Article
PubMed
TargetLeukotriene A-4 hydrolase(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
In DepthDetails Article

TargetLeukotriene A-4 hydrolase(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
In DepthDetails Article

TargetMetallo-beta-lactamase type 2(Pseudomonas aeruginosa (g-Proteobacteria))
Freie University Berlin

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
In DepthDetails Article
PubMed
TargetMetallo-beta-lactamase type 2(Pseudomonas aeruginosa (g-Proteobacteria))
Freie University Berlin

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
In DepthDetails Article
PubMed
TargetMetallo-beta-lactamase type 2(Pseudomonas aeruginosa (g-Proteobacteria))
Freie University Berlin

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
In DepthDetails Article
PubMed
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