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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 217.2
BDBM21642
Purchase
Wt: 321.3
BDBM50027345
Wt: 189.2
BDBM50027346
Wt: 287.3
BDBM50027347
Wt: 203.2
BDBM50027348
Wt: 259.3
BDBM50027349
Wt: 231.2
BDBM50027350
Wt: 245.2
BDBM50027351
Wt: 318.3
BDBM50027136
Wt: 360.4
BDBM50027143
Wt: 346.3
BDBM50027151
Wt: 334.3
BDBM50288344
Wt: 362.4
BDBM50288346
Wt: 348.4
BDBM50288350
Wt: 348.3
BDBM50367254
Purchase
Displayed 1 to 15 (of 99 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 119 hits in this display   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Angiotensin-converting enzyme-related carboxypeptidase


(Rattus norvegicus)
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Angiotensin I converting enzyme of rat brain IgG immobilized enzyme.


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung angiotensin-1 converting enzyme


J Med Chem 31: 1148-60 (1988)


Article DOI: 10.1021/jm00401a014
BindingDB Entry DOI: 10.7270/Q2V125DX
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antihypertensive activity against human renin


J Med Chem 24: 355-61 (1981)


Article DOI: 10.1021/jm00136a001
BindingDB Entry DOI: 10.7270/Q2PC32XP
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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1.70n/an/an/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit lung angiotensin-1 converting enzyme


J Med Chem 31: 1148-60 (1988)


Article DOI: 10.1021/jm00401a014
BindingDB Entry DOI: 10.7270/Q2V125DX
More data for this
Ligand-Target Pair
Angiotensin-Converting Enzyme


(Rattus norvegicus)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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2n/an/an/an/an/an/an/an/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
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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48n/an/an/an/an/an/an/an/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
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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>1.00E+3>-35.6n/an/an/an/an/a7.437



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
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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1.82E+3n/an/an/an/an/an/an/an/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
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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2.40E+3n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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3.70E+3n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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>1.00E+4n/an/an/an/an/an/an/an/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
β-lactamase (Bla2)


(Bacillus anthracis)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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1.79E+4n/an/an/an/an/an/an/an/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
Endothelin-converting enzyme 2 (ECE-2)


(Homo sapiens (Human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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>1.00E+5n/a>1.00E+5n/an/an/an/an/an/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
Solute carrier family 15 member 1


(Rattus norvegicus)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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8.70E+6n/an/an/an/an/an/an/an/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)


Article DOI: 10.1016/s0005-2736(98)00093-5
BindingDB Entry DOI: 10.7270/Q2C24XPC
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 0.0000270n/an/an/an/an/an/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
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 0.120n/an/an/an/an/an/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
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme (ACE) in Bothrops jararaca venom


J Med Chem 45: 5609-16 (2002)


Article DOI: 10.1021/jm020424z
BindingDB Entry DOI: 10.7270/Q270825W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Angiotensin I converting enzyme


J Med Chem 29: 251-60 (1986)


Article DOI: 10.1021/jm00152a014
BindingDB Entry DOI: 10.7270/Q2J67HH7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-Converting Enzyme 2


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/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
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme


J Med Chem 36: 2051-8 (1993)


Article DOI: 10.1021/jm00067a001
BindingDB Entry DOI: 10.7270/Q2NP2524
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/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
3D Structure (crystal)
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Institut de Chimie des Substances Naturelles

Curated by ChEMBL


Assay Description
In vitro activity against angiotensin I converting enzyme especially against Hip-His-Leu residues


J Med Chem 34: 663-9 (1991)


Article DOI: 10.1021/jm00106a030
BindingDB Entry DOI: 10.7270/Q21V5FKF
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 1.60n/an/an/an/an/an/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
3D Structure (crystal)
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 2.30n/an/an/an/an/an/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


(Rattus norvegicus)
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/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
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/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
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Angiotensin I converting enzyme from pig renal cortex, hippuryl-histidyl-leucine as substrate


J Med Chem 32: 289-97 (1989)


Article DOI: 10.1021/jm00122a003
BindingDB Entry DOI: 10.7270/Q2XP75JS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 3n/an/an/an/an/an/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))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



University of Calgary

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory potency against angiotensin I converting enzyme.


J Med Chem 34: 511-7 (1991)


Article DOI: 10.1021/jm00106a005
BindingDB Entry DOI: 10.7270/Q2JS9R1G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 3.60n/an/an/an/an/an/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


(Homo sapiens (human))
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 3.98n/an/an/an/an/an/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
3D Structure (crystal)
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Squibb Institute for Medical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme in rabbit lung with hippuryl-histidyl-leucine as substrate


J Med Chem 31: 204-12 (1988)


Article DOI: 10.1021/jm00396a033
BindingDB Entry DOI: 10.7270/Q2SN0B5P
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 5n/an/an/an/an/an/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
3D Structure (crystal)
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 5.70n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of rabbit lung Angiotensin I converting enzyme with 5 mM hippuryl-histidyl-leucine as substrate


J Med Chem 31: 422-8 (1988)


Article DOI: 10.1021/jm00397a027
BindingDB Entry DOI: 10.7270/Q2S75GWH
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 5.80n/an/an/an/an/an/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)


Article DOI: 10.1021/jm00168a013
BindingDB Entry DOI: 10.7270/Q2CF9QPK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50367254
PNG
(ENALAPRILAT)
Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1
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n/an/a 8.80n/an/an/an/an/an/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 2


(Homo sapiens (human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


J Med Chem 24: 964-9 (1982)


Article DOI: 10.1021/jm00140a010
BindingDB Entry DOI: 10.7270/Q2959J4Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-Converting Enzyme 2


(Homo sapiens (human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 10n/an/an/an/an/an/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
3D Structure (crystal)
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 10n/an/an/an/an/an/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
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 11n/an/an/an/an/an/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
3D Structure (crystal)
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 11n/an/an/an/an/an/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 2


(Homo sapiens (human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 12n/an/an/an/an/an/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
3D Structure (crystal)
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 12n/an/an/an/an/an/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


(Oryctolagus cuniculus)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 13n/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(98)00377-1
BindingDB Entry DOI: 10.7270/Q2XD125K
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 13n/an/an/an/an/an/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
3D Structure (crystal)
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 13n/an/an/an/an/an/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
3D Structure (crystal)
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Angiotensin I converting enzyme


J Med Chem 26: 1267-77 (1983)


Article DOI: 10.1021/jm00363a011
BindingDB Entry DOI: 10.7270/Q29024B9
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of angiotensin I converting enzyme (ACE)


J Med Chem 26: 1277-82 (1983)


Article DOI: 10.1021/jm00363a012
BindingDB Entry DOI: 10.7270/Q2571CK4
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (human))
BDBM21642
PNG
((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...)
Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
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
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n/an/a 15n/an/an/an/an/an/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
3D Structure (crystal)
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