Found 92 hits for monomerid = 21642 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibitory activity against rabbit lung angiotensin-1 converting enzyme |
J Med Chem 31: 1148-60 (1988)
BindingDB Entry DOI: 10.7270/Q2V125DX |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Antihypertensive activity against human renin |
J Med Chem 24: 355-61 (1981)
BindingDB Entry DOI: 10.7270/Q2PC32XP |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| DrugBank PDB Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
E£tv£s Lor£nd University
Curated by ChEMBL
| Assay Description Inhibition of ACE (unknown origin) assessed as 3-Hydroxybutyril-glycil-glycil-glycine conversion to 3-hydroxybutyric acid after 60 mins by WST assay |
J Med Chem 56: 8377-88 (2013)
Article DOI: 10.1021/jm400813y BindingDB Entry DOI: 10.7270/Q2MG7SGG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
| Assay 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, ... |
J Med Chem 45: 1477-86 (2002)
Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB
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| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against thrombin |
Bioorg Med Chem Lett 14: 3727-31 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.002 BindingDB Entry DOI: 10.7270/Q2D79C0Q |
More data for this Ligand-Target Pair | |
Metallo-beta-lactamase VIM-2
(Pseudomonas aeruginosa (g-Proteobacteria)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB
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| PDB US Patent
| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description To identify potential MBL inhibitors, the relative change in the formation of hydrolyzed nitrocefin between treated and untreated VIM2 was determined... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2MG7TB3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| >1.00E+3 | >-8.51 | n/a | n/a | n/a | n/a | n/a | 7.4 | 37 |
CNRS
| Assay Description NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp... |
J Med Chem 45: 1477-86 (2002)
Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1 |
More data for this Ligand-Target Pair | |
Succinyl-diaminopimelate desuccinylase
(Haemophilus influenzae) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Loyola University
Curated by ChEMBL
| Assay Description Inhibition of Haemophilus influenzae recombinant DapE by competitive binding assay |
Bioorg Med Chem Lett 19: 6350-2 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.077 BindingDB Entry DOI: 10.7270/Q2833T06 |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Pseudomonas aeruginosa) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis |
Bioorg Med Chem Lett 22: 6229-32 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Goethe University Frankfurt
Curated by ChEMBL
| Assay 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... |
Bioorg Med Chem 24: 5243-5248 (2016)
Article DOI: 10.1016/j.bmc.2016.08.047 BindingDB Entry DOI: 10.7270/Q2959KH9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Endothelin-converting enzyme 1
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
| Assay 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... |
J Med Chem 45: 1477-86 (2002)
Article DOI: 10.1021/jm0005454 BindingDB Entry DOI: 10.7270/Q2T72FQ1 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
E£tv£s Lor£nd University
Curated by ChEMBL
| Assay Description Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior ... |
J Med Chem 56: 8377-88 (2013)
Article DOI: 10.1021/jm400813y BindingDB Entry DOI: 10.7270/Q2MG7SGG |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB
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| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
E£tv£s Lor£nd University
Curated by ChEMBL
| Assay Description Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior ... |
J Med Chem 56: 8377-88 (2013)
Article DOI: 10.1021/jm400813y BindingDB Entry DOI: 10.7270/Q2MG7SGG |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Bacillus anthracis) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB
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| 1.79E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description Inhibition of Bacillus anthracis MBL Bla2 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis |
Bioorg Med Chem Lett 22: 6229-32 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
EEF1AKMT4-ECE2 readthrough transcript protein
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| Article PubMed
| >1.00E+5 | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaleads
| Assay Description Inhibitory assay against ECE-2. |
J Biol Chem 285: 34390-400 (2010)
Article DOI: 10.1074/jbc.M110.120576 BindingDB Entry DOI: 10.7270/Q29P307K |
More data for this Ligand-Target Pair | |
Beta-lactamase TEM
(Escherichia coli) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB
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| Article PubMed
| >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University
Curated by ChEMBL
| Assay 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... |
J Med Chem 62: 7160-7184 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M |
More data for this Ligand-Target Pair | |
Solute carrier family 15 member 1
(Rattus norvegicus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB
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| 8.70E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of D-Phe-L-Gln uptake in Xenopus laevis oocytes |
Biochim Biophys Acta 1373: 277-81 (1998)
BindingDB Entry DOI: 10.7270/Q2C24XPC |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| Article
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity was evaluated against angiotensin converting enzyme from rabbit in bovine buffered base. (reported from ref. 1b) |
Bioorg Med Chem Lett 1: 581-584 (1991)
Article DOI: 10.1016/S0960-894X(01)81155-0 BindingDB Entry DOI: 10.7270/Q2GF0TZX |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description Compound was tested for its inhibitory activity against Angiotensin I converting enzyme |
Bioorg Med Chem Lett 8: 2123-8 (1999)
BindingDB Entry DOI: 10.7270/Q2XD125K |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory concentration against angiotensin converting enzyme (ACE) |
Bioorg Med Chem Lett 4: 2799-2804 (1994)
Article DOI: 10.1016/S0960-894X(01)80597-7 BindingDB Entry DOI: 10.7270/Q2NP24XX |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibition of Angiotensin I converting enzyme |
J Med Chem 26: 1267-77 (1983)
BindingDB Entry DOI: 10.7270/Q29024B9 |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibition of angiotensin I converting enzyme (ACE) |
J Med Chem 26: 1277-82 (1983)
BindingDB Entry DOI: 10.7270/Q2571CK4 |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description In vitro 50% inhibition of Angiotensin I converting enzyme |
J Med Chem 31: 875-85 (1988)
BindingDB Entry DOI: 10.7270/Q2GT5NRV |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Ability to inhibit Angiotensin I converting enzyme was determined |
J Med Chem 27: 816-8 (1984)
BindingDB Entry DOI: 10.7270/Q20K2956 |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against rabbit lung Angiotensin I converting enzyme at pH 8.3 |
J Med Chem 28: 57-66 (1985)
BindingDB Entry DOI: 10.7270/Q2M90975 |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Rorer Central Research
Curated by ChEMBL
| Assay Description In vitro inhibition of Angiotensin I converting enzyme in rabbit lung |
J Med Chem 33: 1606-15 (1990)
BindingDB Entry DOI: 10.7270/Q2CF9QPK |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of human ACE-mediated amyloid beta hydrolysis |
Eur J Med Chem 79: 184-93 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.009 BindingDB Entry DOI: 10.7270/Q27H1M34 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
RIKEN Center for Sustainable Resource Science
Curated by ChEMBL
| Assay Description Inhibition of ACE (unknown origin) using 3-Hydroxybutylyl-Gly-Gly-Gly substrate assessed as reduction in 3-Hyroxybutylic acid generation incubated fo... |
J Nat Prod 78: 1179-83 (2015)
Article DOI: 10.1021/acs.jnatprod.5b00092 BindingDB Entry DOI: 10.7270/Q28W3G2W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Leukotriene A-4 hydrolase
(Cavia porcellus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 6.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Santen Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of guinea pig lung leukotriene A4 hydrolase |
Bioorg Med Chem Lett 18: 4529-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Santen Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of ACE (unknown origin) |
Bioorg Med Chem Lett 18: 4529-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Santen Pharmaceutical Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of human recombinant leukotriene A4 hydrolase |
Bioorg Med Chem Lett 18: 4529-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Metallo-beta-lactamase VIM-2
(Pseudomonas aeruginosa (g-Proteobacteria)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | n/a | 0.0250 | n/a | n/a | n/a |
UiT The Arctic University of Norway
Curated by ChEMBL
| Assay Description Reversible binding affinity to Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) measured for 15 s... |
J Med Chem 58: 8671-82 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01289 BindingDB Entry DOI: 10.7270/Q2959KCH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Metallo-beta-lactamase VIM-2
(Pseudomonas aeruginosa (g-Proteobacteria)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB
UniProtKB/TrEMBL
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| PDB Article PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UiT The Arctic University of Norway
Curated by ChEMBL
| Assay Description Inhibition of Pseudomonas aeruginosa 301-5473 metallo-beta-lactamase VIM-2 expressed in Escherichia coli BL21(DE3) using nitrocefin as substrate prei... |
J Med Chem 58: 8671-82 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01289 BindingDB Entry DOI: 10.7270/Q2959KCH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Metallo-beta-lactamase type 2
(Klebsiella pneumoniae) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB
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| PDB Article PubMed
| n/a | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a |
UiT The Arctic University of Norway
Curated by ChEMBL
| Assay Description Binding affinity to His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells by surface plasmon resonance assay |
Bioorg Med Chem Lett 26: 1973-7 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.004 BindingDB Entry DOI: 10.7270/Q2FT8NXX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Metallo-beta-lactamase type 2
(Klebsiella pneumoniae) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB
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| PDB Article PubMed
| n/a | n/a | 4.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
UiT The Arctic University of Norway
Curated by ChEMBL
| Assay Description Inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate |
Bioorg Med Chem Lett 26: 1973-7 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.004 BindingDB Entry DOI: 10.7270/Q2FT8NXX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Metallo-beta-lactamase type 2
(Klebsiella pneumoniae) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB
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| PDB Article PubMed
| n/a | n/a | n/a | 1.41E+4 | n/a | n/a | n/a | n/a | n/a |
UiT The Arctic University of Norway
Curated by ChEMBL
| Assay Description Binding affinity to His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells by surface plasmon resonance assay |
Bioorg Med Chem Lett 26: 1973-7 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.004 BindingDB Entry DOI: 10.7270/Q2FT8NXX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Metallo-beta-lactamase type 2
(Klebsiella pneumoniae) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB
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| PDB Article PubMed
| n/a | n/a | 5.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
UiT The Arctic University of Norway
Curated by ChEMBL
| Assay Description Inhibition of His-tagged Klebsiella pneumoniae NDM-1 expressed in Escherichia coli BL21-AI cells using imipinem as substrate |
Bioorg Med Chem Lett 26: 1973-7 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.004 BindingDB Entry DOI: 10.7270/Q2FT8NXX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| DrugBank PDB Article
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against recombinant human Leukotriene A4 hydrolase |
Bioorg Med Chem Lett 5: 2517-2522 (1995)
Article DOI: 10.1016/0960-894X(95)00441-U BindingDB Entry DOI: 10.7270/Q2959J1M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Leukotriene A-4 hydrolase
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| DrugBank PDB Article
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against Leukotriene A4 hydrolase from human leukocytes |
Bioorg Med Chem Lett 1: 551-556 (1991)
Article DOI: 10.1016/S0960-894X(01)80464-9 BindingDB Entry DOI: 10.7270/Q2M32W8B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| DrugBank PDB Article
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against Angiotensin I converting enzyme |
Bioorg Med Chem Lett 3: 1953-1958 (1993)
Article DOI: 10.1016/S0960-894X(01)80994-X BindingDB Entry DOI: 10.7270/Q2057GD5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| Article
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibition of rabbit lung Angiotensin I converting enzyme (ACE) using Hippuryl-His-Leu as substrate |
Bioorg Med Chem Lett 4: 1783-1788 (1994)
Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W |
More data for this Ligand-Target Pair | |
Neprilysin
(Rattus norvegicus (Rat)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
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| Article
| n/a | n/a | 8.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate |
Bioorg Med Chem Lett 4: 1783-1788 (1994)
Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of rat Angiotensin I converting enzyme (ACE), using Hip-Gly-Gly as synthetic substrate. |
J Med Chem 30: 992-8 (1987)
BindingDB Entry DOI: 10.7270/Q29C6Z02 |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB
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| PubMed
| n/a | n/a | 156 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro antihypertensive activity determined by inhibition of angiotensin I converting enzyme |
J Med Chem 26: 381-93 (1983)
BindingDB Entry DOI: 10.7270/Q2XS5VZQ |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme |
J Med Chem 26: 394-403 (1983)
BindingDB Entry DOI: 10.7270/Q2T15473 |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of Angiotensin I converting enzyme in rat |
J Med Chem 28: 1517-21 (1985)
BindingDB Entry DOI: 10.7270/Q2736RGG |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme |
J Med Chem 28: 1603-6 (1985)
BindingDB Entry DOI: 10.7270/Q2ZK5H7D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Angiotensin-converting enzyme
(Oryctolagus cuniculus) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme |
J Med Chem 28: 328-32 (1985)
BindingDB Entry DOI: 10.7270/Q2DN45MJ |
More data for this Ligand-Target Pair | |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme from unpurified guinea pig serum |
J Med Chem 28: 1291-5 (1985)
BindingDB Entry DOI: 10.7270/Q2GF0V34 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Angiotensin-converting enzyme
(Homo sapiens (Human)) | BDBM21642
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of guinea pig angiotensin I converting enzyme |
J Med Chem 29: 1953-61 (1986)
BindingDB Entry DOI: 10.7270/Q2PZ59DG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |