Found 80 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050127
((S)-3-(4-Hydroxy-phenyl)-2-[(2S,3R)-2-((S)-2-merca...)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C20H30N2O5S/c1-5-12(4)16(22-19(25)17(28)11(2)3)18(24)21-15(20(26)27)10-13-6-8-14(23)9-7-13/h6-9,11-12,15-17,23,28H,5,10H2,1-4H3,(H,21,24)(H,22,25)(H,26,27)/t12-,15+,16+,17+/m1/s1 | PDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050151
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C17H22N2O4S/c1-11(16(21)19-9-5-8-13(19)17(22)23)18-15(20)14(24)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14,24H,5,8-10H2,1H3,(H,18,20)(H,22,23)/t11-,13?,14-/m0/s1 | PDB
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PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050149
(1-[(S)-2-((S)-2-Mercapto-4-phenyl-butyrylamino)-pr...)Show SMILES C[C@H](NC(=O)[C@@H](S)CCc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12(17(22)20-11-5-8-14(20)18(23)24)19-16(21)15(25)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,25H,5,8-11H2,1H3,(H,19,21)(H,23,24)/t12-,14?,15-/m0/s1 | PDB
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| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050150
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1C(CC2CCCCC12)C(O)=O Show InChI InChI=1S/C21H28N2O4S/c1-13(22-19(24)18(28)11-14-7-3-2-4-8-14)20(25)23-16-10-6-5-9-15(16)12-17(23)21(26)27/h2-4,7-8,13,15-18,28H,5-6,9-12H2,1H3,(H,22,24)(H,26,27)/t13-,15?,16?,17?,18-/m0/s1 | PDB
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050156
((S)-1-[(S)-2-((2S,3S)-2-Mercapto-3-methyl-pentanoy...)Show SMILES CC[C@H](C)[C@H](S)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C16H28N2O4S/c1-5-10(4)13(23)14(19)17-12(9(2)3)15(20)18-8-6-7-11(18)16(21)22/h9-13,23H,5-8H2,1-4H3,(H,17,19)(H,21,22)/t10-,11-,12-,13-/m0/s1 | PDB
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| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050144
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)Show SMILES CC(C)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C19H26N2O4S/c1-12(2)16(18(23)21-10-6-9-14(21)19(24)25)20-17(22)15(26)11-13-7-4-3-5-8-13/h3-5,7-8,12,14-16,26H,6,9-11H2,1-2H3,(H,20,22)(H,24,25)/t14?,15-,16-/m0/s1 | PDB
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| n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050125
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)Show SMILES OC(=O)C1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C23H26N2O4S/c26-21(20(30)15-17-10-5-2-6-11-17)24-18(14-16-8-3-1-4-9-16)22(27)25-13-7-12-19(25)23(28)29/h1-6,8-11,18-20,30H,7,12-15H2,(H,24,26)(H,28,29)/t18-,19?,20-/m0/s1 | PDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050158
(1-[(S)-2-((R)-2-Mercapto-3-phenyl-propionylamino)-...)Show SMILES C[C@H](NC(=O)[C@H](S)Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C17H22N2O4S/c1-11(16(21)19-9-5-8-13(19)17(22)23)18-15(20)14(24)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14,24H,5,8-10H2,1H3,(H,18,20)(H,22,23)/t11-,13?,14+/m0/s1 | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050127
((S)-3-(4-Hydroxy-phenyl)-2-[(2S,3R)-2-((S)-2-merca...)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C20H30N2O5S/c1-5-12(4)16(22-19(25)17(28)11(2)3)18(24)21-15(20(26)27)10-13-6-8-14(23)9-7-13/h6-9,11-12,15-17,23,28H,5,10H2,1-4H3,(H,21,24)(H,22,25)(H,26,27)/t12-,15+,16+,17+/m1/s1 | PDB
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050162
((S)-3-(4-Hydroxy-phenyl)-2-[(S)-2-((S)-2-mercapto-...)Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)CCc1ccccc1 Show InChI InChI=1S/C28H30N2O5S/c31-22-14-11-21(12-15-22)18-24(28(34)35)30-26(32)23(17-20-9-5-2-6-10-20)29-27(33)25(36)16-13-19-7-3-1-4-8-19/h1-12,14-15,23-25,31,36H,13,16-18H2,(H,29,33)(H,30,32)(H,34,35)/t23-,24-,25-/m0/s1 | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050148
((S)-3-(4-Hydroxy-phenyl)-2-[(S)-2-((S)-2-mercapto-...)Show SMILES CC(C)[C@H](NC(=O)[C@@H](S)CCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C24H30N2O5S/c1-15(2)21(26-22(28)20(32)13-10-16-6-4-3-5-7-16)23(29)25-19(24(30)31)14-17-8-11-18(27)12-9-17/h3-9,11-12,15,19-21,27,32H,10,13-14H2,1-2H3,(H,25,29)(H,26,28)(H,30,31)/t19-,20-,21-/m0/s1 | PDB
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050134
(1-[2-((S)-2-Mercapto-4-phenyl-butyrylamino)-2-meth...)Show SMILES CC(C)(NC(=O)[C@@H](S)CCc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C19H26N2O4S/c1-19(2,18(25)21-12-6-9-14(21)17(23)24)20-16(22)15(26)11-10-13-7-4-3-5-8-13/h3-5,7-8,14-15,26H,6,9-12H2,1-2H3,(H,20,22)(H,23,24)/t14?,15-/m0/s1 | PDB
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050136
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCCC1C(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12(17(22)20-10-6-5-9-14(20)18(23)24)19-16(21)15(25)11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,21)(H,23,24)/t12-,14?,15-/m0/s1 | PDB
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050146
(1-[(2S,3R)-2-((S)-2-Mercapto-3-phenyl-propionylami...)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C20H28N2O4S/c1-3-13(2)17(19(24)22-11-7-10-15(22)20(25)26)21-18(23)16(27)12-14-8-5-4-6-9-14/h4-6,8-9,13,15-17,27H,3,7,10-12H2,1-2H3,(H,21,23)(H,25,26)/t13-,15?,16+,17+/m1/s1 | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50369209
(CHEMBL1794012)Show SMILES CC[C@H](C)[C@H](S)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C20H30N2O5S/c1-5-12(4)17(28)19(25)22-16(11(2)3)18(24)21-15(20(26)27)10-13-6-8-14(23)9-7-13/h6-9,11-12,15-17,23,28H,5,10H2,1-4H3,(H,21,24)(H,22,25)(H,26,27)/t12-,15-,16-,17-/m0/s1 | PDB
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050138
((S)-3-(4-Hydroxy-phenyl)-2-[(S)-2-((S)-2-mercapto-...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C24H30N2O5S/c1-15(2)12-19(25-23(29)21(32)14-16-6-4-3-5-7-16)22(28)26-20(24(30)31)13-17-8-10-18(27)11-9-17/h3-11,15,19-21,27,32H,12-14H2,1-2H3,(H,25,29)(H,26,28)(H,30,31)/t19-,20-,21-/m0/s1 | PDB
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050128
((S)-2-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylami...)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C21H24N2O4S/c1-14(21(26)27)22-19(24)17(12-15-8-4-2-5-9-15)23-20(25)18(28)13-16-10-6-3-7-11-16/h2-11,14,17-18,28H,12-13H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t14-,17-,18-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050143
((S)-3-(4-Hydroxy-phenyl)-2-[(2S,3S)-2-((S)-2-merca...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C24H30N2O5S/c1-3-15(2)21(26-22(28)20(32)14-16-7-5-4-6-8-16)23(29)25-19(24(30)31)13-17-9-11-18(27)12-10-17/h4-12,15,19-21,27,32H,3,13-14H2,1-2H3,(H,25,29)(H,26,28)(H,30,31)/t15-,19-,20-,21-/m0/s1 | PDB
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| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050153
((S)-3-(4-Hydroxy-phenyl)-2-[(S)-2-((S)-2-mercapto-...)Show SMILES CCCC[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C24H30N2O5S/c1-2-3-9-19(25-23(29)21(32)15-16-7-5-4-6-8-16)22(28)26-20(24(30)31)14-17-10-12-18(27)13-11-17/h4-8,10-13,19-21,27,32H,2-3,9,14-15H2,1H3,(H,25,29)(H,26,28)(H,30,31)/t19-,20-,21-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050160
((2-SULFANYL-3-PHENYLPROPANOYL)-PHE-TYR | (S)-3-(4-...)Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C27H28N2O5S/c30-21-13-11-20(12-14-21)16-23(27(33)34)29-25(31)22(15-18-7-3-1-4-8-18)28-26(32)24(35)17-19-9-5-2-6-10-19/h1-14,22-24,30,35H,15-17H2,(H,28,32)(H,29,31)(H,33,34)/t22-,23-,24-/m0/s1 | PDB
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| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050143
((S)-3-(4-Hydroxy-phenyl)-2-[(2S,3S)-2-((S)-2-merca...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C24H30N2O5S/c1-3-15(2)21(26-22(28)20(32)14-16-7-5-4-6-8-16)23(29)25-19(24(30)31)13-17-9-11-18(27)12-10-17/h4-12,15,19-21,27,32H,3,13-14H2,1-2H3,(H,25,29)(H,26,28)(H,30,31)/t15-,19-,20-,21-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050138
((S)-3-(4-Hydroxy-phenyl)-2-[(S)-2-((S)-2-mercapto-...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C24H30N2O5S/c1-15(2)12-19(25-23(29)21(32)14-16-6-4-3-5-7-16)22(28)26-20(24(30)31)13-17-8-10-18(27)11-9-17/h3-11,15,19-21,27,32H,12-14H2,1-2H3,(H,25,29)(H,26,28)(H,30,31)/t19-,20-,21-/m0/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050133
(1-[(S)-2-((2S,3S)-2-Mercapto-3-methyl-pentanoylami...)Show SMILES CC[C@H](C)[C@H](S)C(=O)N[C@@H](C)C(=O)N1C(Cc2ccccc12)C(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-4-10(2)15(25)16(21)19-11(3)17(22)20-13-8-6-5-7-12(13)9-14(20)18(23)24/h5-8,10-11,14-15,25H,4,9H2,1-3H3,(H,19,21)(H,23,24)/t10-,11-,14?,15-/m0/s1 | PDB
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| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050145
((S)-3-(4-Hydroxy-phenyl)-2-[(2S,3S)-2-((S)-2-merca...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](S)c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C23H28N2O5S/c1-3-14(2)19(25-22(28)20(31)16-7-5-4-6-8-16)21(27)24-18(23(29)30)13-15-9-11-17(26)12-10-15/h4-12,14,18-20,26,31H,3,13H2,1-2H3,(H,24,27)(H,25,28)(H,29,30)/t14-,18-,19-,20-/m0/s1 | PDB
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050141
((S)-3-(4-Hydroxy-phenyl)-2-[(S)-2-((2S,3S)-2-merca...)Show SMILES CC[C@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C24H30N2O5S/c1-3-15(2)21(32)23(29)25-19(13-16-7-5-4-6-8-16)22(28)26-20(24(30)31)14-17-9-11-18(27)12-10-17/h4-12,15,19-21,27,32H,3,13-14H2,1-2H3,(H,25,29)(H,26,28)(H,30,31)/t15-,19-,20-,21-/m0/s1 | PDB
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050152
((S)-3-(4-Hydroxy-phenyl)-2-[(S)-2-((S)-2-mercapto-...)Show SMILES CC(C)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C23H28N2O5S/c1-14(2)20(25-21(27)19(31)13-15-6-4-3-5-7-15)22(28)24-18(23(29)30)12-16-8-10-17(26)11-9-16/h3-11,14,18-20,26,31H,12-13H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)/t18-,19-,20-/m0/s1 | PDB
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| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050151
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C17H22N2O4S/c1-11(16(21)19-9-5-8-13(19)17(22)23)18-15(20)14(24)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14,24H,5,8-10H2,1H3,(H,18,20)(H,22,23)/t11-,13?,14-/m0/s1 | PDB
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| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050140
((S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-pro...)Show InChI InChI=1S/C12H15NO3S/c1-8(12(15)16)13-11(14)10(17)7-9-5-3-2-4-6-9/h2-6,8,10,17H,7H2,1H3,(H,13,14)(H,15,16)/t8-,10-/m0/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050153
((S)-3-(4-Hydroxy-phenyl)-2-[(S)-2-((S)-2-mercapto-...)Show SMILES CCCC[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C24H30N2O5S/c1-2-3-9-19(25-23(29)21(32)15-16-7-5-4-6-8-16)22(28)26-20(24(30)31)14-17-10-12-18(27)13-11-17/h4-8,10-13,19-21,27,32H,2-3,9,14-15H2,1H3,(H,25,29)(H,26,28)(H,30,31)/t19-,20-,21-/m0/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050152
((S)-3-(4-Hydroxy-phenyl)-2-[(S)-2-((S)-2-mercapto-...)Show SMILES CC(C)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C23H28N2O5S/c1-14(2)20(25-21(27)19(31)13-15-6-4-3-5-7-15)22(28)24-18(23(29)30)12-16-8-10-17(26)11-9-16/h3-11,14,18-20,26,31H,12-13H2,1-2H3,(H,24,28)(H,25,27)(H,29,30)/t18-,19-,20-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050142
((S)-2-[(2S,3R)-2-((S)-3-Benzyloxy-2-mercapto-butyr...)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)C(C)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C26H34N2O6S/c1-4-16(2)22(24(30)27-21(26(32)33)14-18-10-12-20(29)13-11-18)28-25(31)23(35)17(3)34-15-19-8-6-5-7-9-19/h5-13,16-17,21-23,29,35H,4,14-15H2,1-3H3,(H,27,30)(H,28,31)(H,32,33)/t16-,17?,21+,22+,23+/m1/s1 | PDB
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| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050145
((S)-3-(4-Hydroxy-phenyl)-2-[(2S,3S)-2-((S)-2-merca...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](S)c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C23H28N2O5S/c1-3-14(2)19(25-22(28)20(31)16-7-5-4-6-8-16)21(27)24-18(23(29)30)13-15-9-11-17(26)12-10-15/h4-12,14,18-20,26,31H,3,13H2,1-2H3,(H,24,27)(H,25,28)(H,29,30)/t14-,18-,19-,20-/m0/s1 | PDB
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| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050150
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1C(CC2CCCCC12)C(O)=O Show InChI InChI=1S/C21H28N2O4S/c1-13(22-19(24)18(28)11-14-7-3-2-4-8-14)20(25)23-16-10-6-5-9-15(16)12-17(23)21(26)27/h2-4,7-8,13,15-18,28H,5-6,9-12H2,1H3,(H,22,24)(H,26,27)/t13-,15?,16?,17?,18-/m0/s1 | PDB
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| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50369209
(CHEMBL1794012)Show SMILES CC[C@H](C)[C@H](S)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C20H30N2O5S/c1-5-12(4)17(28)19(25)22-16(11(2)3)18(24)21-15(20(26)27)10-13-6-8-14(23)9-7-13/h6-9,11-12,15-17,23,28H,5,10H2,1-4H3,(H,21,24)(H,22,25)(H,26,27)/t12-,15-,16-,17-/m0/s1 | PDB
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| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50369208
(CHEMBL1794004)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C)C(O)=O Show InChI InChI=1S/C36H59NO4/c1-10-22(4)29(30(39)40)37-31(41)36-18-13-23(21(2)3)28(36)24-11-12-26-33(7)16-15-27(38)32(5,6)25(33)14-17-35(26,9)34(24,8)19-20-36/h22-29,38H,2,10-20H2,1,3-9H3,(H,37,41)(H,39,40)/t22-,23-,24+,25-,26+,27-,28+,29-,33-,34+,35+,36-/m0/s1 | PDB
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| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050160
((2-SULFANYL-3-PHENYLPROPANOYL)-PHE-TYR | (S)-3-(4-...)Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C27H28N2O5S/c30-21-13-11-20(12-14-21)16-23(27(33)34)29-25(31)22(15-18-7-3-1-4-8-18)28-26(32)24(35)17-19-9-5-2-6-10-19/h1-14,22-24,30,35H,15-17H2,(H,28,32)(H,29,31)(H,33,34)/t22-,23-,24-/m0/s1 | PDB
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| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50369208
(CHEMBL1794004)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C)C(O)=O Show InChI InChI=1S/C36H59NO4/c1-10-22(4)29(30(39)40)37-31(41)36-18-13-23(21(2)3)28(36)24-11-12-26-33(7)16-15-27(38)32(5,6)25(33)14-17-35(26,9)34(24,8)19-20-36/h22-29,38H,2,10-20H2,1,3-9H3,(H,37,41)(H,39,40)/t22-,23-,24+,25-,26+,27-,28+,29-,33-,34+,35+,36-/m0/s1 | PDB
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| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050128
((S)-2-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylami...)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C21H24N2O4S/c1-14(21(26)27)22-19(24)17(12-15-8-4-2-5-9-15)23-20(25)18(28)13-16-10-6-3-7-11-16/h2-11,14,17-18,28H,12-13H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t14-,17-,18-/m0/s1 | PDB
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| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050142
((S)-2-[(2S,3R)-2-((S)-3-Benzyloxy-2-mercapto-butyr...)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)C(C)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C26H34N2O6S/c1-4-16(2)22(24(30)27-21(26(32)33)14-18-10-12-20(29)13-11-18)28-25(31)23(35)17(3)34-15-19-8-6-5-7-9-19/h5-13,16-17,21-23,29,35H,4,14-15H2,1-3H3,(H,27,30)(H,28,31)(H,32,33)/t16-,17?,21+,22+,23+/m1/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050159
((S)-3-(1H-Indol-3-yl)-2-[(S)-2-((S)-2-mercapto-3-p...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C29H29N3O4S/c33-27(32-25(29(35)36)17-21-18-30-23-14-8-7-13-22(21)23)24(15-19-9-3-1-4-10-19)31-28(34)26(37)16-20-11-5-2-6-12-20/h1-14,18,24-26,30,37H,15-17H2,(H,31,34)(H,32,33)(H,35,36)/t24-,25-,26-/m0/s1 | PDB
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| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050136
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCCC1C(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12(17(22)20-10-6-5-9-14(20)18(23)24)19-16(21)15(25)11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,21)(H,23,24)/t12-,14?,15-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050148
((S)-3-(4-Hydroxy-phenyl)-2-[(S)-2-((S)-2-mercapto-...)Show SMILES CC(C)[C@H](NC(=O)[C@@H](S)CCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C24H30N2O5S/c1-15(2)21(26-22(28)20(32)13-10-16-6-4-3-5-7-16)23(29)25-19(24(30)31)14-17-8-11-18(27)12-9-17/h3-9,11-12,15,19-21,27,32H,10,13-14H2,1-2H3,(H,25,29)(H,26,28)(H,30,31)/t19-,20-,21-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050141
((S)-3-(4-Hydroxy-phenyl)-2-[(S)-2-((2S,3S)-2-merca...)Show SMILES CC[C@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C24H30N2O5S/c1-3-15(2)21(32)23(29)25-19(13-16-7-5-4-6-8-16)22(28)26-20(24(30)31)14-17-9-11-18(27)12-10-17/h4-12,15,19-21,27,32H,3,13-14H2,1-2H3,(H,25,29)(H,26,28)(H,30,31)/t15-,19-,20-,21-/m0/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050131
((S)-3-Benzyloxy-2-[(S)-2-((S)-2-mercapto-3-phenyl-...)Show SMILES OC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C28H30N2O5S/c31-26(30-24(28(33)34)19-35-18-22-14-8-3-9-15-22)23(16-20-10-4-1-5-11-20)29-27(32)25(36)17-21-12-6-2-7-13-21/h1-15,23-25,36H,16-19H2,(H,29,32)(H,30,31)(H,33,34)/t23-,24-,25-/m0/s1 | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050137
((R)-3-Benzylsulfanyl-2-[(S)-2-((S)-2-mercapto-3-ph...)Show SMILES OC(=O)[C@H](CSCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C28H30N2O4S2/c31-26(30-24(28(33)34)19-36-18-22-14-8-3-9-15-22)23(16-20-10-4-1-5-11-20)29-27(32)25(35)17-21-12-6-2-7-13-21/h1-15,23-25,35H,16-19H2,(H,29,32)(H,30,31)(H,33,34)/t23-,24-,25-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050132
((S)-2-[(S)-2-(2-Mercapto-acetylamino)-3-phenyl-pro...)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CS)C(O)=O Show InChI InChI=1S/C14H18N2O4S/c1-9(14(19)20)15-13(18)11(16-12(17)8-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050149
(1-[(S)-2-((S)-2-Mercapto-4-phenyl-butyrylamino)-pr...)Show SMILES C[C@H](NC(=O)[C@@H](S)CCc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12(17(22)20-11-5-8-14(20)18(23)24)19-16(21)15(25)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,25H,5,8-11H2,1H3,(H,19,21)(H,23,24)/t12-,14?,15-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050162
((S)-3-(4-Hydroxy-phenyl)-2-[(S)-2-((S)-2-mercapto-...)Show SMILES OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)CCc1ccccc1 Show InChI InChI=1S/C28H30N2O5S/c31-22-14-11-21(12-15-22)18-24(28(34)35)30-26(32)23(17-20-9-5-2-6-10-20)29-27(33)25(36)16-13-19-7-3-1-4-8-19/h1-12,14-15,23-25,31,36H,13,16-18H2,(H,29,33)(H,30,32)(H,34,35)/t23-,24-,25-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050164
((S)-2-Mercapto-N-((S)-1-methyl-2-oxo-2-pyrrolidin-...)Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCC1 Show InChI InChI=1S/C16H22N2O2S/c1-12(16(20)18-9-5-6-10-18)17-15(19)14(21)11-13-7-3-2-4-8-13/h2-4,7-8,12,14,21H,5-6,9-11H2,1H3,(H,17,19)/t12-,14-/m0/s1 | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050126
((S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-3-p...)Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C18H19NO3S/c20-17(16(23)12-14-9-5-2-6-10-14)19-15(18(21)22)11-13-7-3-1-4-8-13/h1-10,15-16,23H,11-12H2,(H,19,20)(H,21,22)/t15-,16-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050144
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)Show SMILES CC(C)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C19H26N2O4S/c1-12(2)16(18(23)21-10-6-9-14(21)19(24)25)20-17(22)15(26)11-13-7-4-3-5-8-13/h3-5,7-8,12,14-16,26H,6,9-11H2,1-2H3,(H,20,22)(H,24,25)/t14?,15-,16-/m0/s1 | PDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050146
(1-[(2S,3R)-2-((S)-2-Mercapto-3-phenyl-propionylami...)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C20H28N2O4S/c1-3-13(2)17(19(24)22-11-7-10-15(22)20(25)26)21-18(23)16(27)12-14-8-5-4-6-9-14/h4-6,8-9,13,15-17,27H,3,7,10-12H2,1-2H3,(H,21,23)(H,25,26)/t13-,15?,16+,17+/m1/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050158
(1-[(S)-2-((R)-2-Mercapto-3-phenyl-propionylamino)-...)Show SMILES C[C@H](NC(=O)[C@H](S)Cc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C17H22N2O4S/c1-11(16(21)19-9-5-8-13(19)17(22)23)18-15(20)14(24)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14,24H,5,8-10H2,1H3,(H,18,20)(H,22,23)/t11-,13?,14+/m0/s1 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050147
(1-[(2S,3R)-2-((S)-2-Mercapto-2-phenyl-acetylamino)...)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)c1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C19H26N2O4S/c1-3-12(2)15(18(23)21-11-7-10-14(21)19(24)25)20-17(22)16(26)13-8-5-4-6-9-13/h4-6,8-9,12,14-16,26H,3,7,10-11H2,1-2H3,(H,20,22)(H,24,25)/t12-,14?,15+,16+/m1/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50369207
(CHEMBL1794014)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](S)C(C)C)C(=O)N1C(CC2CCCCC12)C(O)=O Show InChI InChI=1S/C20H34N2O4S/c1-5-12(4)16(21-18(23)17(27)11(2)3)19(24)22-14-9-7-6-8-13(14)10-15(22)20(25)26/h11-17,27H,5-10H2,1-4H3,(H,21,23)(H,25,26)/t12-,13?,14?,15?,16-,17-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050130
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)Show SMILES OC(=O)C1(CCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C24H28N2O4S/c27-21(26-24(23(29)30)13-7-8-14-24)19(15-17-9-3-1-4-10-17)25-22(28)20(31)16-18-11-5-2-6-12-18/h1-6,9-12,19-20,31H,7-8,13-16H2,(H,25,28)(H,26,27)(H,29,30)/t19-,20-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050125
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)Show SMILES OC(=O)C1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C23H26N2O4S/c26-21(20(30)15-17-10-5-2-6-11-17)24-18(14-16-8-3-1-4-9-16)22(27)25-13-7-12-19(25)23(28)29/h1-6,8-11,18-20,30H,7,12-15H2,(H,24,26)(H,28,29)/t18-,19?,20-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50369210
(CHEMBL1794011)Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](C(C)c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C25H32N2O5S/c1-4-15(2)22(33)24(30)27-21(16(3)18-8-6-5-7-9-18)23(29)26-20(25(31)32)14-17-10-12-19(28)13-11-17/h5-13,15-16,20-22,28,33H,4,14H2,1-3H3,(H,26,29)(H,27,30)(H,31,32)/t15-,16?,20+,21+,22+/m1/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50369210
(CHEMBL1794011)Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](C(C)c1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C25H32N2O5S/c1-4-15(2)22(33)24(30)27-21(16(3)18-8-6-5-7-9-18)23(29)26-20(25(31)32)14-17-10-12-19(28)13-11-17/h5-13,15-16,20-22,28,33H,4,14H2,1-3H3,(H,26,29)(H,27,30)(H,31,32)/t15-,16?,20+,21+,22+/m1/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050135
((S)-2-[(S)-3-Benzyloxy-2-((S)-2-mercapto-3-phenyl-...)Show SMILES CC(OCc1ccccc1)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H32N2O6S/c1-19(37-18-22-10-6-3-7-11-22)26(31-27(33)25(38)17-20-8-4-2-5-9-20)28(34)30-24(29(35)36)16-21-12-14-23(32)15-13-21/h2-15,19,24-26,32,38H,16-18H2,1H3,(H,30,34)(H,31,33)(H,35,36)/t19?,24-,25-,26-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050137
((R)-3-Benzylsulfanyl-2-[(S)-2-((S)-2-mercapto-3-ph...)Show SMILES OC(=O)[C@H](CSCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C28H30N2O4S2/c31-26(30-24(28(33)34)19-36-18-22-14-8-3-9-15-22)23(16-20-10-4-1-5-11-20)29-27(32)25(35)17-21-12-6-2-7-13-21/h1-15,23-25,35H,16-19H2,(H,29,32)(H,30,31)(H,33,34)/t23-,24-,25-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050140
((S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-pro...)Show InChI InChI=1S/C12H15NO3S/c1-8(12(15)16)13-11(14)10(17)7-9-5-3-2-4-6-9/h2-6,8,10,17H,7H2,1H3,(H,13,14)(H,15,16)/t8-,10-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050126
((S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-3-p...)Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C18H19NO3S/c20-17(16(23)12-14-9-5-2-6-10-14)19-15(18(21)22)11-13-7-3-1-4-8-13/h1-10,15-16,23H,11-12H2,(H,19,20)(H,21,22)/t15-,16-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050130
(1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylamino)-...)Show SMILES OC(=O)C1(CCCC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C24H28N2O4S/c27-21(26-24(23(29)30)13-7-8-14-24)19(15-17-9-3-1-4-10-17)25-22(28)20(31)16-18-11-5-2-6-12-18/h1-6,9-12,19-20,31H,7-8,13-16H2,(H,25,28)(H,26,27)(H,29,30)/t19-,20-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050134
(1-[2-((S)-2-Mercapto-4-phenyl-butyrylamino)-2-meth...)Show SMILES CC(C)(NC(=O)[C@@H](S)CCc1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C19H26N2O4S/c1-19(2,18(25)21-12-6-9-14(21)17(23)24)20-16(22)15(26)11-10-13-7-4-3-5-8-13/h3-5,7-8,14-15,26H,6,9-12H2,1-2H3,(H,20,22)(H,23,24)/t14?,15-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050131
((S)-3-Benzyloxy-2-[(S)-2-((S)-2-mercapto-3-phenyl-...)Show SMILES OC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C28H30N2O5S/c31-26(30-24(28(33)34)19-35-18-22-14-8-3-9-15-22)23(16-20-10-4-1-5-11-20)29-27(32)25(36)17-21-12-6-2-7-13-21/h1-15,23-25,36H,16-19H2,(H,29,32)(H,30,31)(H,33,34)/t23-,24-,25-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050159
((S)-3-(1H-Indol-3-yl)-2-[(S)-2-((S)-2-mercapto-3-p...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C29H29N3O4S/c33-27(32-25(29(35)36)17-21-18-30-23-14-8-7-13-22(21)23)24(15-19-9-3-1-4-10-19)31-28(34)26(37)16-20-11-5-2-6-12-20/h1-14,18,24-26,30,37H,15-17H2,(H,31,34)(H,32,33)(H,35,36)/t24-,25-,26-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050163
((S)-2-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylami...)Show SMILES OC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C31H30N2O4S/c34-29(33-27(31(36)37)20-24-16-9-15-23-14-7-8-17-25(23)24)26(18-21-10-3-1-4-11-21)32-30(35)28(38)19-22-12-5-2-6-13-22/h1-17,26-28,38H,18-20H2,(H,32,35)(H,33,34)(H,36,37)/t26-,27-,28-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050129
(4-Hydroxy-1-[(S)-2-((S)-2-mercapto-3-phenyl-propio...)Show SMILES CC(C)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CC(O)CC1C(O)=O Show InChI InChI=1S/C19H26N2O5S/c1-11(2)16(18(24)21-10-13(22)9-14(21)19(25)26)20-17(23)15(27)8-12-6-4-3-5-7-12/h3-7,11,13-16,22,27H,8-10H2,1-2H3,(H,20,23)(H,25,26)/t13?,14?,15-,16-/m0/s1 | PDB
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| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050129
(4-Hydroxy-1-[(S)-2-((S)-2-mercapto-3-phenyl-propio...)Show SMILES CC(C)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CC(O)CC1C(O)=O Show InChI InChI=1S/C19H26N2O5S/c1-11(2)16(18(24)21-10-13(22)9-14(21)19(25)26)20-17(23)15(27)8-12-6-4-3-5-7-12/h3-7,11,13-16,22,27H,8-10H2,1-2H3,(H,20,23)(H,25,26)/t13?,14?,15-,16-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050135
((S)-2-[(S)-3-Benzyloxy-2-((S)-2-mercapto-3-phenyl-...)Show SMILES CC(OCc1ccccc1)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C29H32N2O6S/c1-19(37-18-22-10-6-3-7-11-22)26(31-27(33)25(38)17-20-8-4-2-5-9-20)28(34)30-24(29(35)36)16-21-12-14-23(32)15-13-21/h2-15,19,24-26,32,38H,16-18H2,1H3,(H,30,34)(H,31,33)(H,35,36)/t19?,24-,25-,26-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050155
((S)-1-[(S)-2-((S)-2-Mercapto-3-phenyl-butyrylamino...)Show SMILES CC(C)[C@H](NC(=O)[C@@H](S)C(C)c1ccccc1)C(=O)N1CCCC[C@H]1C(O)=O Show InChI InChI=1S/C21H30N2O4S/c1-13(2)17(20(25)23-12-8-7-11-16(23)21(26)27)22-19(24)18(28)14(3)15-9-5-4-6-10-15/h4-6,9-10,13-14,16-18,28H,7-8,11-12H2,1-3H3,(H,22,24)(H,26,27)/t14?,16-,17-,18-/m0/s1 | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050163
((S)-2-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylami...)Show SMILES OC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C31H30N2O4S/c34-29(33-27(31(36)37)20-24-16-9-15-23-14-7-8-17-25(23)24)26(18-21-10-3-1-4-11-21)32-30(35)28(38)19-22-12-5-2-6-13-22/h1-17,26-28,38H,18-20H2,(H,32,35)(H,33,34)(H,36,37)/t26-,27-,28-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050147
(1-[(2S,3R)-2-((S)-2-Mercapto-2-phenyl-acetylamino)...)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)c1ccccc1)C(=O)N1CCCC1C(O)=O Show InChI InChI=1S/C19H26N2O4S/c1-3-12(2)15(18(23)21-11-7-10-14(21)19(24)25)20-17(22)16(26)13-8-5-4-6-9-13/h4-6,8-9,12,14-16,26H,3,7,10-11H2,1-2H3,(H,20,22)(H,24,25)/t12-,14?,15+,16+/m1/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050164
((S)-2-Mercapto-N-((S)-1-methyl-2-oxo-2-pyrrolidin-...)Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCC1 Show InChI InChI=1S/C16H22N2O2S/c1-12(16(20)18-9-5-6-10-18)17-15(19)14(21)11-13-7-3-2-4-8-13/h2-4,7-8,12,14,21H,5-6,9-11H2,1H3,(H,17,19)/t12-,14-/m0/s1 | PDB
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50369207
(CHEMBL1794014)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](S)C(C)C)C(=O)N1C(CC2CCCCC12)C(O)=O Show InChI InChI=1S/C20H34N2O4S/c1-5-12(4)16(21-18(23)17(27)11(2)3)19(24)22-14-9-7-6-8-13(14)10-15(22)20(25)26/h11-17,27H,5-10H2,1-4H3,(H,21,23)(H,25,26)/t12-,13?,14?,15?,16-,17-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050133
(1-[(S)-2-((2S,3S)-2-Mercapto-3-methyl-pentanoylami...)Show SMILES CC[C@H](C)[C@H](S)C(=O)N[C@@H](C)C(=O)N1C(Cc2ccccc12)C(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-4-10(2)15(25)16(21)19-11(3)17(22)20-13-8-6-5-7-12(13)9-14(20)18(23)24/h5-8,10-11,14-15,25H,4,9H2,1-3H3,(H,19,21)(H,23,24)/t10-,11-,14?,15-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050155
((S)-1-[(S)-2-((S)-2-Mercapto-3-phenyl-butyrylamino...)Show SMILES CC(C)[C@H](NC(=O)[C@@H](S)C(C)c1ccccc1)C(=O)N1CCCC[C@H]1C(O)=O Show InChI InChI=1S/C21H30N2O4S/c1-13(2)17(20(25)23-12-8-7-11-16(23)21(26)27)22-19(24)18(28)14(3)15-9-5-4-6-10-15/h4-6,9-10,13-14,16-18,28H,7-8,11-12H2,1-3H3,(H,22,24)(H,26,27)/t14?,16-,17-,18-/m0/s1 | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50050156
((S)-1-[(S)-2-((2S,3S)-2-Mercapto-3-methyl-pentanoy...)Show SMILES CC[C@H](C)[C@H](S)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C16H28N2O4S/c1-5-10(4)13(23)14(19)17-12(9(2)3)15(20)18-8-6-7-11(18)16(21)22/h9-13,23H,5-8H2,1-4H3,(H,17,19)(H,21,22)/t10-,11-,12-,13-/m0/s1 | PDB
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INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity was tested against neutral endopeptidase |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50050132
((S)-2-[(S)-2-(2-Mercapto-acetylamino)-3-phenyl-pro...)Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CS)C(O)=O Show InChI InChI=1S/C14H18N2O4S/c1-9(14(19)20)15-13(18)11(16-12(17)8-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11-/m0/s1 | PDB
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| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibitory activity against angiotensin I converting enzyme |
J Med Chem 39: 1210-9 (1996)
Article DOI: 10.1021/jm950590p
BindingDB Entry DOI: 10.7270/Q2DF6RWV |
More data for this
Ligand-Target Pair | |
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