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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50036428   
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


(Rattus norvegicus)
BDBM50051796
PNG
((2S,5R)-5-(2-Hydroxy-phenyl)-1-{2-[(S)-2-mercapto-...)
Show SMILES COc1ccc(C[C@H](S)C(=O)NCC(=O)N2[C@@H](CC[C@@H]2c2ccccc2O)C(O)=O)cc1
Show InChI InChI=1S/C23H26N2O6S/c1-31-15-8-6-14(7-9-15)12-20(32)22(28)24-13-21(27)25-17(10-11-18(25)23(29)30)16-4-2-3-5-19(16)26/h2-9,17-18,20,26,32H,10-13H2,1H3,(H,24,28)(H,29,30)/t17-,18+,20+/m1/s1
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n/an/a 0.420n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051798
PNG
((2S,5R)-5-(4-Hydroxy-phenyl)-1-{2-[(S)-3-(4-hydrox...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C22H24N2O6S/c25-15-5-1-13(2-6-15)11-19(31)21(28)23-12-20(27)24-17(9-10-18(24)22(29)30)14-3-7-16(26)8-4-14/h1-8,17-19,25-26,31H,9-12H2,(H,23,28)(H,29,30)/t17-,18+,19+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051784
PNG
((2S,5R)-5-(2-Hydroxy-phenyl)-1-[2-((S)-2-mercapto-...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccccc1)c1ccccc1O
Show InChI InChI=1S/C22H24N2O5S/c25-18-9-5-4-8-15(18)16-10-11-17(22(28)29)24(16)20(26)13-23-21(27)19(30)12-14-6-2-1-3-7-14/h1-9,16-17,19,25,30H,10-13H2,(H,23,27)(H,28,29)/t16-,17+,19+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051785
PNG
((2S,5R)-1-[2-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H24N2O4S/c25-20(14-23-21(26)19(29)13-15-7-3-1-4-8-15)24-17(11-12-18(24)22(27)28)16-9-5-2-6-10-16/h1-10,17-19,29H,11-14H2,(H,23,26)(H,27,28)/t17-,18+,19+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051780
PNG
((2S,5R)-5-(2-Hydroxy-phenyl)-1-{2-[(S)-3-(4-hydrox...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)c1ccccc1O
Show InChI InChI=1S/C22H24N2O6S/c25-14-7-5-13(6-8-14)11-19(31)21(28)23-12-20(27)24-16(9-10-17(24)22(29)30)15-3-1-2-4-18(15)26/h1-8,16-17,19,25-26,31H,9-12H2,(H,23,28)(H,29,30)/t16-,17+,19+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051791
PNG
((2S,5R)-5-(3-Hydroxy-phenyl)-1-{2-[(S)-3-(4-hydrox...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)c1cccc(O)c1
Show InChI InChI=1S/C22H24N2O6S/c25-15-6-4-13(5-7-15)10-19(31)21(28)23-12-20(27)24-17(8-9-18(24)22(29)30)14-2-1-3-16(26)11-14/h1-7,11,17-19,25-26,31H,8-10,12H2,(H,23,28)(H,29,30)/t17-,18+,19+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051803
PNG
((2S,5R)-1-{2-[3-(4-Chloro-phenyl)-2-mercapto-propi...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)C(S)Cc1ccc(Cl)cc1)c1ccccc1O
Show InChI InChI=1S/C22H23ClN2O5S/c23-14-7-5-13(6-8-14)11-19(31)21(28)24-12-20(27)25-16(9-10-17(25)22(29)30)15-3-1-2-4-18(15)26/h1-8,16-17,19,26,31H,9-12H2,(H,24,28)(H,29,30)/t16-,17+,19?/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051784
PNG
((2S,5R)-5-(2-Hydroxy-phenyl)-1-[2-((S)-2-mercapto-...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccccc1)c1ccccc1O
Show InChI InChI=1S/C22H24N2O5S/c25-18-9-5-4-8-15(18)16-10-11-17(22(28)29)24(16)20(26)13-23-21(27)19(30)12-14-6-2-1-3-7-14/h1-9,16-17,19,25,30H,10-13H2,(H,23,27)(H,28,29)/t16-,17+,19+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051803
PNG
((2S,5R)-1-{2-[3-(4-Chloro-phenyl)-2-mercapto-propi...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)C(S)Cc1ccc(Cl)cc1)c1ccccc1O
Show InChI InChI=1S/C22H23ClN2O5S/c23-14-7-5-13(6-8-14)11-19(31)21(28)24-12-20(27)25-16(9-10-17(25)22(29)30)15-3-1-2-4-18(15)26/h1-8,16-17,19,26,31H,9-12H2,(H,24,28)(H,29,30)/t16-,17+,19?/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051790
PNG
((2S,5R)-5-(3-Hydroxy-phenyl)-1-[2-((S)-2-mercapto-...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C22H24N2O5S/c25-16-8-4-7-15(12-16)17-9-10-18(22(28)29)24(17)20(26)13-23-21(27)19(30)11-14-5-2-1-3-6-14/h1-8,12,17-19,25,30H,9-11,13H2,(H,23,27)(H,28,29)/t17-,18+,19+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051800
PNG
(1-{2-[(S)-3-(4-Hydroxy-phenyl)-2-mercapto-propiony...)
Show SMILES Cc1cccc(c1)C1CCC(N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C23H26N2O5S/c1-14-3-2-4-16(11-14)18-9-10-19(23(29)30)25(18)21(27)13-24-22(28)20(31)12-15-5-7-17(26)8-6-15/h2-8,11,18-20,26,31H,9-10,12-13H2,1H3,(H,24,28)(H,29,30)/t18?,19?,20-/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051791
PNG
((2S,5R)-5-(3-Hydroxy-phenyl)-1-{2-[(S)-3-(4-hydrox...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)c1cccc(O)c1
Show InChI InChI=1S/C22H24N2O6S/c25-15-6-4-13(5-7-15)10-19(31)21(28)23-12-20(27)24-17(8-9-18(24)22(29)30)14-2-1-3-16(26)11-14/h1-7,11,17-19,25-26,31H,8-10,12H2,(H,23,28)(H,29,30)/t17-,18+,19+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051785
PNG
((2S,5R)-1-[2-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H24N2O4S/c25-20(14-23-21(26)19(29)13-15-7-3-1-4-8-15)24-17(11-12-18(24)22(27)28)16-9-5-2-6-10-16/h1-10,17-19,29H,11-14H2,(H,23,26)(H,27,28)/t17-,18+,19+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051794
PNG
((2S,5R)-1-{2-[(S)-3-(4-Amino-phenyl)-2-mercapto-pr...)
Show SMILES Nc1ccc(C[C@H](S)C(=O)NCC(=O)N2[C@@H](CC[C@@H]2c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C22H25N3O4S/c23-16-8-6-14(7-9-16)12-19(30)21(27)24-13-20(26)25-17(10-11-18(25)22(28)29)15-4-2-1-3-5-15/h1-9,17-19,30H,10-13,23H2,(H,24,27)(H,28,29)/t17-,18+,19+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051799
PNG
((2S,5R)-1-{2-[(S)-2-Mercapto-3-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(C[C@H](S)C(=O)NCC(=O)N2[C@@H](CC[C@@H]2c2ccccc2OC)C(O)=O)cc1
Show InChI InChI=1S/C24H28N2O6S/c1-31-16-9-7-15(8-10-16)13-21(33)23(28)25-14-22(27)26-18(11-12-19(26)24(29)30)17-5-3-4-6-20(17)32-2/h3-10,18-19,21,33H,11-14H2,1-2H3,(H,25,28)(H,29,30)/t18-,19+,21+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051796
PNG
((2S,5R)-5-(2-Hydroxy-phenyl)-1-{2-[(S)-2-mercapto-...)
Show SMILES COc1ccc(C[C@H](S)C(=O)NCC(=O)N2[C@@H](CC[C@@H]2c2ccccc2O)C(O)=O)cc1
Show InChI InChI=1S/C23H26N2O6S/c1-31-15-8-6-14(7-9-15)12-20(32)22(28)24-13-21(27)25-17(10-11-18(25)23(29)30)16-4-2-3-5-19(16)26/h2-9,17-18,20,26,32H,10-13H2,1H3,(H,24,28)(H,29,30)/t17-,18+,20+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051804
PNG
((2S,5R)-1-[2-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES Cc1cccc(c1)[C@H]1CC[C@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H26N2O4S/c1-15-6-5-9-17(12-15)18-10-11-19(23(28)29)25(18)21(26)14-24-22(27)20(30)13-16-7-3-2-4-8-16/h2-9,12,18-20,30H,10-11,13-14H2,1H3,(H,24,27)(H,28,29)/t18-,19+,20+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051790
PNG
((2S,5R)-5-(3-Hydroxy-phenyl)-1-[2-((S)-2-mercapto-...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C22H24N2O5S/c25-16-8-4-7-15(12-16)17-9-10-18(22(28)29)24(17)20(26)13-23-21(27)19(30)11-14-5-2-1-3-6-14/h1-8,12,17-19,25,30H,9-11,13H2,(H,23,27)(H,28,29)/t17-,18+,19+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051799
PNG
((2S,5R)-1-{2-[(S)-2-Mercapto-3-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(C[C@H](S)C(=O)NCC(=O)N2[C@@H](CC[C@@H]2c2ccccc2OC)C(O)=O)cc1
Show InChI InChI=1S/C24H28N2O6S/c1-31-16-9-7-15(8-10-16)13-21(33)23(28)25-14-22(27)26-18(11-12-19(26)24(29)30)17-5-3-4-6-20(17)32-2/h3-10,18-19,21,33H,11-14H2,1-2H3,(H,25,28)(H,29,30)/t18-,19+,21+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051786
PNG
((2S,5R)-1-{2-[(S)-3-(4-Hydroxy-phenyl)-2-mercapto-...)
Show SMILES Cc1ccc(cc1)[C@H]1CC[C@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C23H26N2O5S/c1-14-2-6-16(7-3-14)18-10-11-19(23(29)30)25(18)21(27)13-24-22(28)20(31)12-15-4-8-17(26)9-5-15/h2-9,18-20,26,31H,10-13H2,1H3,(H,24,28)(H,29,30)/t18-,19+,20+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50407847
PNG
(CHEMBL2115220)
Show SMILES Cc1ccccc1[C@H]1CC[C@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C23H26N2O5S/c1-14-4-2-3-5-17(14)18-10-11-19(23(29)30)25(18)21(27)13-24-22(28)20(31)12-15-6-8-16(26)9-7-15/h2-9,18-20,26,31H,10-13H2,1H3,(H,24,28)(H,29,30)/t18-,19+,20+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051778
PNG
((2S,5R)-1-[2-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES Cc1ccccc1[C@H]1CC[C@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H26N2O4S/c1-15-7-5-6-10-17(15)18-11-12-19(23(28)29)25(18)21(26)14-24-22(27)20(30)13-16-8-3-2-4-9-16/h2-10,18-20,30H,11-14H2,1H3,(H,24,27)(H,28,29)/t18-,19+,20+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051800
PNG
(1-{2-[(S)-3-(4-Hydroxy-phenyl)-2-mercapto-propiony...)
Show SMILES Cc1cccc(c1)C1CCC(N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C23H26N2O5S/c1-14-3-2-4-16(11-14)18-9-10-19(23(29)30)25(18)21(27)13-24-22(28)20(31)12-15-5-7-17(26)8-6-15/h2-8,11,18-20,26,31H,9-10,12-13H2,1H3,(H,24,28)(H,29,30)/t18?,19?,20-/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051795
PNG
((2S,5R)-5-(3-Hydroxy-phenyl)-1-{2-[(S)-3-(3-hydrox...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1cccc(O)c1)c1cccc(O)c1
Show InChI InChI=1S/C22H24N2O6S/c25-15-5-1-3-13(9-15)10-19(31)21(28)23-12-20(27)24-17(7-8-18(24)22(29)30)14-4-2-6-16(26)11-14/h1-6,9,11,17-19,25-26,31H,7-8,10,12H2,(H,23,28)(H,29,30)/t17-,18+,19+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051805
PNG
((2S,5R)-1-[2-((R)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@H](S)Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H24N2O4S/c25-20(14-23-21(26)19(29)13-15-7-3-1-4-8-15)24-17(11-12-18(24)22(27)28)16-9-5-2-6-10-16/h1-10,17-19,29H,11-14H2,(H,23,26)(H,27,28)/t17-,18+,19-/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051787
PNG
((2S,5R)-1-{2-[(S)-3-(4-Hydroxy-phenyl)-2-mercapto-...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C22H24N2O5S/c25-16-8-6-14(7-9-16)12-19(30)21(27)23-13-20(26)24-17(10-11-18(24)22(28)29)15-4-2-1-3-5-15/h1-9,17-19,25,30H,10-13H2,(H,23,27)(H,28,29)/t17-,18+,19+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051789
PNG
((2S,5R)-1-{2-[(S)-3-(4-Hydroxy-phenyl)-2-mercapto-...)
Show SMILES COc1ccccc1[C@H]1CC[C@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C23H26N2O6S/c1-31-19-5-3-2-4-16(19)17-10-11-18(23(29)30)25(17)21(27)13-24-22(28)20(32)12-14-6-8-15(26)9-7-14/h2-9,17-18,20,26,32H,10-13H2,1H3,(H,24,28)(H,29,30)/t17-,18+,20+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051794
PNG
((2S,5R)-1-{2-[(S)-3-(4-Amino-phenyl)-2-mercapto-pr...)
Show SMILES Nc1ccc(C[C@H](S)C(=O)NCC(=O)N2[C@@H](CC[C@@H]2c2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C22H25N3O4S/c23-16-8-6-14(7-9-16)12-19(30)21(27)24-13-20(26)25-17(10-11-18(25)22(28)29)15-4-2-1-3-5-15/h1-9,17-19,30H,10-13,23H2,(H,24,27)(H,28,29)/t17-,18+,19+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051780
PNG
((2S,5R)-5-(2-Hydroxy-phenyl)-1-{2-[(S)-3-(4-hydrox...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)c1ccccc1O
Show InChI InChI=1S/C22H24N2O6S/c25-14-7-5-13(6-8-14)11-19(31)21(28)23-12-20(27)24-16(9-10-17(24)22(29)30)15-3-1-2-4-18(15)26/h1-8,16-17,19,25-26,31H,9-12H2,(H,23,28)(H,29,30)/t16-,17+,19+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051788
PNG
((2S,5R)-1-[2-((S)-2-Mercapto-3-methyl-pentanoylami...)
Show SMILES CC[C@H](C)C(S)C(=O)NCC(=O)N1[C@@H](CC[C@@H]1c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H26N2O4S/c1-3-12(2)17(26)18(23)20-11-16(22)21-14(9-10-15(21)19(24)25)13-7-5-4-6-8-13/h4-8,12,14-15,17,26H,3,9-11H2,1-2H3,(H,20,23)(H,24,25)/t12-,14+,15-,17?/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051782
PNG
((2S,5R)-1-{2-[3-(4-Fluoro-phenyl)-2-mercapto-propi...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)C(S)Cc1ccc(F)cc1)c1cccc(O)c1
Show InChI InChI=1S/C22H23FN2O5S/c23-15-6-4-13(5-7-15)10-19(31)21(28)24-12-20(27)25-17(8-9-18(25)22(29)30)14-2-1-3-16(26)11-14/h1-7,11,17-19,26,31H,8-10,12H2,(H,24,28)(H,29,30)/t17-,18+,19?/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051787
PNG
((2S,5R)-1-{2-[(S)-3-(4-Hydroxy-phenyl)-2-mercapto-...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C22H24N2O5S/c25-16-8-6-14(7-9-16)12-19(30)21(27)23-13-20(26)24-17(10-11-18(24)22(28)29)15-4-2-1-3-5-15/h1-9,17-19,25,30H,10-13H2,(H,23,27)(H,28,29)/t17-,18+,19+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051795
PNG
((2S,5R)-5-(3-Hydroxy-phenyl)-1-{2-[(S)-3-(3-hydrox...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1cccc(O)c1)c1cccc(O)c1
Show InChI InChI=1S/C22H24N2O6S/c25-15-5-1-3-13(9-15)10-19(31)21(28)23-12-20(27)24-17(7-8-18(24)22(29)30)14-4-2-6-16(26)11-14/h1-6,9,11,17-19,25-26,31H,7-8,10,12H2,(H,23,28)(H,29,30)/t17-,18+,19+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051789
PNG
((2S,5R)-1-{2-[(S)-3-(4-Hydroxy-phenyl)-2-mercapto-...)
Show SMILES COc1ccccc1[C@H]1CC[C@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C23H26N2O6S/c1-31-19-5-3-2-4-16(19)17-10-11-18(23(29)30)25(17)21(27)13-24-22(28)20(32)12-14-6-8-15(26)9-7-14/h2-9,17-18,20,26,32H,10-13H2,1H3,(H,24,28)(H,29,30)/t17-,18+,20+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50407847
PNG
(CHEMBL2115220)
Show SMILES Cc1ccccc1[C@H]1CC[C@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C23H26N2O5S/c1-14-4-2-3-5-17(14)18-10-11-19(23(29)30)25(18)21(27)13-24-22(28)20(31)12-15-6-8-16(26)9-7-15/h2-9,18-20,26,31H,10-13H2,1H3,(H,24,28)(H,29,30)/t18-,19+,20+/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50407845
PNG
(CHEMBL2114220)
Show SMILES Cc1ccccc1[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C23H26N2O5S/c1-14-4-2-3-5-17(14)18-10-11-19(23(29)30)25(18)21(27)13-24-22(28)20(31)12-15-6-8-16(26)9-7-15/h2-9,18-20,26,31H,10-13H2,1H3,(H,24,28)(H,29,30)/t18-,19+,20-/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051778
PNG
((2S,5R)-1-[2-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES Cc1ccccc1[C@H]1CC[C@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H26N2O4S/c1-15-7-5-6-10-17(15)18-11-12-19(23(28)29)25(18)21(26)14-24-22(27)20(30)13-16-8-3-2-4-9-16/h2-10,18-20,30H,11-14H2,1H3,(H,24,27)(H,28,29)/t18-,19+,20+/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051801
PNG
((2S,5R)-1-{2-[3-(4-Carboxy-phenyl)-2-mercapto-prop...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)C(S)Cc1ccc(cc1)C(O)=O)c1ccccc1O
Show InChI InChI=1S/C23H24N2O7S/c26-18-4-2-1-3-15(18)16-9-10-17(23(31)32)25(16)20(27)12-24-21(28)19(33)11-13-5-7-14(8-6-13)22(29)30/h1-8,16-17,19,26,33H,9-12H2,(H,24,28)(H,29,30)(H,31,32)/t16-,17+,19?/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051782
PNG
((2S,5R)-1-{2-[3-(4-Fluoro-phenyl)-2-mercapto-propi...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)C(S)Cc1ccc(F)cc1)c1cccc(O)c1
Show InChI InChI=1S/C22H23FN2O5S/c23-15-6-4-13(5-7-15)10-19(31)21(28)24-12-20(27)25-17(8-9-18(25)22(29)30)14-2-1-3-16(26)11-14/h1-7,11,17-19,26,31H,8-10,12H2,(H,24,28)(H,29,30)/t17-,18+,19?/m1/s1
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n/an/a 5.30n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051786
PNG
((2S,5R)-1-{2-[(S)-3-(4-Hydroxy-phenyl)-2-mercapto-...)
Show SMILES Cc1ccc(cc1)[C@H]1CC[C@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C23H26N2O5S/c1-14-2-6-16(7-3-14)18-10-11-19(23(29)30)25(18)21(27)13-24-22(28)20(31)12-15-4-8-17(26)9-5-15/h2-9,18-20,26,31H,10-13H2,1H3,(H,24,28)(H,29,30)/t18-,19+,20+/m1/s1
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n/an/a 5.5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051804
PNG
((2S,5R)-1-[2-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES Cc1cccc(c1)[C@H]1CC[C@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H26N2O4S/c1-15-6-5-9-17(12-15)18-10-11-19(23(28)29)25(18)21(26)14-24-22(27)20(30)13-16-7-3-2-4-8-16/h2-9,12,18-20,30H,10-11,13-14H2,1H3,(H,24,27)(H,28,29)/t18-,19+,20+/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051798
PNG
((2S,5R)-5-(4-Hydroxy-phenyl)-1-{2-[(S)-3-(4-hydrox...)
Show SMILES OC(=O)[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C22H24N2O6S/c25-15-5-1-13(2-6-15)11-19(31)21(28)23-12-20(27)24-17(9-10-18(24)22(29)30)14-3-7-16(26)8-4-14/h1-8,17-19,25-26,31H,9-12H2,(H,23,28)(H,29,30)/t17-,18+,19+/m1/s1
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n/an/a 6.40n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051793
PNG
((2S,5R)-1-[2-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES Cc1ccc(cc1)[C@H]1CC[C@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H26N2O4S/c1-15-7-9-17(10-8-15)18-11-12-19(23(28)29)25(18)21(26)14-24-22(27)20(30)13-16-5-3-2-4-6-16/h2-10,18-20,30H,11-14H2,1H3,(H,24,27)(H,28,29)/t18-,19+,20+/m1/s1
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n/an/a 6.80n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051797
PNG
((2R,5S)-1-[2-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES Cc1ccccc1[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H26N2O4S/c1-15-7-5-6-10-17(15)18-11-12-19(23(28)29)25(18)21(26)14-24-22(27)20(30)13-16-8-3-2-4-9-16/h2-10,18-20,30H,11-14H2,1H3,(H,24,27)(H,28,29)/t18-,19+,20-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051781
PNG
((2S,5R)-1-[(S)-2-((S)-2-Mercapto-3-phenyl-propiony...)
Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1[C@@H](CC[C@@H]1c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H26N2O4S/c1-15(24-21(26)20(30)14-16-8-4-2-5-9-16)22(27)25-18(12-13-19(25)23(28)29)17-10-6-3-7-11-17/h2-11,15,18-20,30H,12-14H2,1H3,(H,24,26)(H,28,29)/t15-,18+,19-,20-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50407845
PNG
(CHEMBL2114220)
Show SMILES Cc1ccccc1[C@@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C23H26N2O5S/c1-14-4-2-3-5-17(14)18-10-11-19(23(29)30)25(18)21(27)13-24-22(28)20(31)12-15-6-8-16(26)9-7-15/h2-9,18-20,26,31H,10-13H2,1H3,(H,24,28)(H,29,30)/t18-,19+,20-/m0/s1
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n/an/a 12.5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051793
PNG
((2S,5R)-1-[2-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES Cc1ccc(cc1)[C@H]1CC[C@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H26N2O4S/c1-15-7-9-17(10-8-15)18-11-12-19(23(28)29)25(18)21(26)14-24-22(27)20(30)13-16-5-3-2-4-6-16/h2-10,18-20,30H,11-14H2,1H3,(H,24,27)(H,28,29)/t18-,19+,20+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50051779
PNG
((2S,5S)-1-[2-((S)-2-Mercapto-3-phenyl-propionylami...)
Show SMILES Cc1ccccc1[C@@H]1CC[C@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H26N2O4S/c1-15-7-5-6-10-17(15)18-11-12-19(23(28)29)25(18)21(26)14-24-22(27)20(30)13-16-8-3-2-4-9-16/h2-10,18-20,30H,11-14H2,1H3,(H,24,27)(H,28,29)/t18-,19-,20-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50051802
PNG
((2S,5R)-5-(4-Amino-phenyl)-1-{2-[(S)-3-(4-hydroxy-...)
Show SMILES Nc1ccc(cc1)[C@H]1CC[C@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C22H25N3O5S/c23-15-5-3-14(4-6-15)17-9-10-18(22(29)30)25(17)20(27)12-24-21(28)19(31)11-13-1-7-16(26)8-2-13/h1-8,17-19,26,31H,9-12,23H2,(H,24,28)(H,29,30)/t17-,18+,19+/m1/s1
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n/an/a 23n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of rat angiotensin I converting enzyme


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50407846
PNG
(CHEMBL2114222)
Show SMILES Cc1ccccc1[C@H]1CC[C@@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C23H26N2O4S/c1-15-7-5-6-10-17(15)18-11-12-19(23(28)29)25(18)21(26)14-24-22(27)20(30)13-16-8-3-2-4-9-16/h2-10,18-20,30H,11-14H2,1H3,(H,24,27)(H,28,29)/t18-,19-,20+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of neutral endopeptidase


J Med Chem 39: 2594-608 (1996)


Article DOI: 10.1021/jm950783c
BindingDB Entry DOI: 10.7270/Q25B0353
More data for this
Ligand-Target Pair
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