Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/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...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 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...) | 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 | PubMed | 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...) | 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 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...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 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...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 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...) | PDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | 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...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >1.00E+3 | >-35.6 | 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...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 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...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 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...) | 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 Article PubMed | 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...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | >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...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 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...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 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...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 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...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | 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...) | PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | 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...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 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 |