Found 94 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 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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
UniProtKB/SwissProt UniProtKB/TrEMBL
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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 A4 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
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
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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 A4 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
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
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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
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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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 | MMDB
KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar
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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 | |
Neutral Endopeptidase (NEP)
(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
Reactome pathway KEGG
UniProtKB/SwissProt
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| 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 | Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 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)
Article DOI: 10.1021/jm00389a006 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 | Reactome pathway KEGG
UniProtKB/SwissProt
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| Article 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)
Article DOI: 10.1021/jm00357a013 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 | Reactome pathway KEGG
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| Article PubMed
| 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)
Article DOI: 10.1021/jm00357a014 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 | Reactome pathway KEGG
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| Article PubMed
| 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)
Article DOI: 10.1021/jm00148a024 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
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| DrugBank PDB Article 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)
Article DOI: 10.1021/jm00149a010 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 | MMDB
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UniProtKB/SwissProt
DrugBank GoogleScholar
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| Article PubMed
| n/a | n/a | 27 | 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)
Article DOI: 10.1021/jm00381a012 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
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| 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)
Article DOI: 10.1021/jm00147a030 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
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| DrugBank PDB Article 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)
Article DOI: 10.1021/jm00160a026 BindingDB Entry DOI: 10.7270/Q2PZ59DG |
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 | Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against Angiotensin I converting enzyme |
J Med Chem 29: 411-7 (1986)
Article DOI: 10.1021/jm00153a017 BindingDB Entry DOI: 10.7270/Q218372M |
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 | Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratori Guidotti S.p.A.
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against rat serum angiotensin I converting enzyme using hippuryl-glycyl-glycine as substrate |
J Med Chem 36: 699-707 (1993)
Article DOI: 10.1021/jm00058a006 BindingDB Entry DOI: 10.7270/Q21N81RS |
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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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Corporation
Curated by ChEMBL
| Assay Description Compound tested in vitro for inhibition of Angiotensin I converting enzyme |
J Med Chem 32: 1600-6 (1989)
Article DOI: 10.1021/jm00127a033 BindingDB Entry DOI: 10.7270/Q2M61KVW |
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 | MMDB
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| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Ciba-Geigy Corporation
Curated by ChEMBL
| Assay Description Evaluation of in vitro inhibitory activity against Angiotensin I converting enzyme |
J Med Chem 38: 5023-30 (1996)
Article DOI: 10.1021/jm00026a009 BindingDB Entry DOI: 10.7270/Q26D5TMH |
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
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland
Curated by ChEMBL
| Assay Description Inhibitory activity against angiotensin I converting enzyme (ACE) |
J Med Chem 43: 305-41 (2000)
Checked by Author Article DOI: 10.1021/jm990412m BindingDB Entry DOI: 10.7270/Q2JD4XH4 |
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
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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 |
Organon Laboratories
Curated by ChEMBL
| Assay Description Inhibitory concentration against angiotensin I converting enzyme |
J Med Chem 48: 6523-43 (2005)
Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Neprilysin
(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
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 8.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories
Curated by ChEMBL
| Assay Description Inhibitory concentration against neutral endopeptidase |
J Med Chem 48: 6523-43 (2005)
Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 |
More data for this Ligand-Target Pair | |
Leukotriene A4 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
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| DrugBank PDB Article PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay 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... |
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) |
Leukotriene A4 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
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 6.25E+3 | n/a | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Binding affinity to human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H at 25 degC by ITC method |
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) |
Leukotriene A4 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
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 6.37E+3 | n/a | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Binding affinity to human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H at 15 degC by ITC method |
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) |
Leukotriene A4 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
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 8.47E+3 | n/a | n/a | n/a | n/a | n/a |
Goethe-University Frankfurt
Curated by ChEMBL
| Assay Description Binding affinity to human C-terminal his6-tagged/N-terminal T7 gene leader sequence-tagged LTA4H at 35 degC by ITC method |
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) |
ACEI-ACE2
(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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| PDB 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 against angiotensin converting enzyme (ACE) |
Bioorg Med Chem Lett 4: 2673-2676 (1994)
Article DOI: 10.1016/S0960-894X(01)80694-6 BindingDB Entry DOI: 10.7270/Q2X34XXT |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
ACEI-ACE2
(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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| PDB Article
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vitro inhibitory concentration against angiotensin-converting enzyme |
Bioorg Med Chem Lett 4: 2715-2720 (1994)
Article DOI: 10.1016/S0960-894X(01)80703-4 BindingDB Entry DOI: 10.7270/Q2SB467B |
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 | MMDB
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| Article
| n/a | n/a | 2.40E+3 | 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 |
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 | MMDB
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| Article
| n/a | n/a | 3.60 | 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 |
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 | |
metallo-beta-lactamase IMP-1
(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
UniProtKB/TrEMBL
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| PDB Article PubMed
| n/a | n/a | 5.00E+3 | 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) |
β-lactamase (Bla2)
(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
UniProtKB/TrEMBL
GoogleScholar
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| PDB Article PubMed
| n/a | n/a | 2.58E+4 | 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) |
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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| Article PubMed
| n/a | n/a | 3.30E+3 | 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 |
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 | |
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 | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Dipartimento di Chimica
Curated by ChEMBL
| Assay Description Inhibition of human recombinant ACE by fluorimetry |
Bioorg Med Chem Lett 19: 4715-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.06.064 BindingDB Entry DOI: 10.7270/Q2GH9JWT |
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
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of ACE by fluorometric assay |
J Nat Prod 51: 357-359 (1988)
Article DOI: 10.1021/np50056a033 BindingDB Entry DOI: 10.7270/Q2XW4M1C |
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
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University
Curated by ChEMBL
| Assay Description Inhibitory activity against angiotensin converting enzyme (ACE) |
J Med Chem 36: 2390-403 (1993)
Article DOI: 10.1021/jm00068a017 BindingDB Entry DOI: 10.7270/Q2Z320V9 |
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 | 79.4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan
Curated by ChEMBL
| Assay Description Inhibition of angiotensin I converting enzyme in silico |
J Med Chem 40: 3161-72 (1997)
Article DOI: 10.1021/jm970211n BindingDB Entry DOI: 10.7270/Q2MG7QPB |
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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| n/a | n/a | 20 | 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: 434-42 (1985)
Article DOI: 10.1021/jm00382a008 BindingDB Entry DOI: 10.7270/Q2RV0PVJ |
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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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibition of porcine plasma Angiotensin I converting enzyme by using fluorometric assay |
J Med Chem 28: 1062-6 (1985)
Article DOI: 10.1021/jm00146a014 BindingDB Entry DOI: 10.7270/Q2H996C6 |
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 | Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description In vivo inhibitory activity against Angiotensin I converting enzyme was evaluated in renal hypertensive rats |
J Med Chem 28: 1067-71 (1985)
Article DOI: 10.1021/jm00146a015 BindingDB Entry DOI: 10.7270/Q2CJ8FPX |
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
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| DrugBank PDB Article PubMed
| n/a | n/a | 2.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University
Curated by ChEMBL
| Assay Description Inhibitory activity against angiotensin converting enzyme (ACE) |
J Med Chem 36: 2390-403 (1993)
Article DOI: 10.1021/jm00068a017 BindingDB Entry DOI: 10.7270/Q2Z320V9 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
ACEI-ACE2
(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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antibodypedia antibodypedia GoogleScholar
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| PDB Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Concentration required for 50% inhibition of Angiotensin I converting enzyme |
J Med Chem 24: 104-9 (1981)
Article DOI: 10.1021/jm00133a021 BindingDB Entry DOI: 10.7270/Q2ZW1MGC |
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 | Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 70 | 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)
Article DOI: 10.1021/jm00148a024 BindingDB Entry DOI: 10.7270/Q2736RGG |
More data for this Ligand-Target Pair | |
ACEI-ACE2
(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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| PDB Article PubMed
| n/a | n/a | 25 | 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 Hog plasma |
J Med Chem 33: 1606-15 (1990)
Article DOI: 10.1021/jm00168a013 BindingDB Entry DOI: 10.7270/Q2CF9QPK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |