Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50012189 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 |
|---|
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM21653
((2S)-2-[(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28)/t18-,19+,21-/m0/s1 | PDB
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| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115846
((S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((R)-5-m...)Show SMILES COc1ccc2[C@H](CCc2c1)[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20+,22-/m0/s1 | PDB
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| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115843
((2S)-2-[(2R)-2-[(1R)-5-bromo-2,3-dihydro-1H-inden-...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2cc(Br)ccc12 Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19+,21-/m0/s1 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115842
(2-(2-Indan-1-yl-3-mercapto-propionylamino)-3-(1H-i...)Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2ccccc12 Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28) | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115850
((S)-3-(1H-Indol-3-yl)-2-[(S)-3-mercapto-2-((R)-5-m...)Show SMILES COc1ccc2[C@H](CCc2c1)[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20-,22-/m0/s1 | PDB
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| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115837
(2-[2-(5-Cyano-indan-1-yl)-3-mercapto-propionylamin...)Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(ccc12)C#N Show InChI InChI=1S/C24H23N3O3S/c25-11-14-5-7-17-15(9-14)6-8-19(17)20(13-31)23(28)27-22(24(29)30)10-16-12-26-21-4-2-1-3-18(16)21/h1-5,7,9,12,19-20,22,26,31H,6,8,10,13H2,(H,27,28)(H,29,30) | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115840
((S)-2-[(S)-2-(5-Bromo-indan-1-yl)-3-mercapto-propi...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@H]1CCc2cc(Br)ccc12 Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19-,21-/m0/s1 | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115839
(2-[2-(5-Hydroxy-indan-1-yl)-3-mercapto-propionylam...)Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(O)ccc12 Show InChI InChI=1S/C23H24N2O4S/c26-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)25-21(23(28)29)10-14-11-24-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,24,26,30H,5,7,10,12H2,(H,25,27)(H,28,29) | PDB
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INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115840
((S)-2-[(S)-2-(5-Bromo-indan-1-yl)-3-mercapto-propi...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@H]1CCc2cc(Br)ccc12 Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19-,21-/m0/s1 | PDB
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| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115850
((S)-3-(1H-Indol-3-yl)-2-[(S)-3-mercapto-2-((R)-5-m...)Show SMILES COc1ccc2[C@H](CCc2c1)[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20-,22-/m0/s1 | PDB
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| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115845
(2-[2-(5-Bromo-indan-1-yl)-3-mercapto-propionylamin...)Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(Br)ccc12 Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29) | PDB
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INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115841
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(5-methoxy-indan...)Show SMILES COc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29) | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115849
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(5-methylsulfany...)Show SMILES CSc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O3S2/c1-31-16-7-9-17-14(10-16)6-8-19(17)20(13-30)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,30H,6,8,11,13H2,1H3,(H,26,27)(H,28,29) | PDB
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INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115839
(2-[2-(5-Hydroxy-indan-1-yl)-3-mercapto-propionylam...)Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(O)ccc12 Show InChI InChI=1S/C23H24N2O4S/c26-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)25-21(23(28)29)10-14-11-24-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,24,26,30H,5,7,10,12H2,(H,25,27)(H,28,29) | PDB
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INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115836
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(4-methoxy-indan...)Show SMILES COc1cccc2C(CCc12)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-22-8-4-6-16-17(9-10-18(16)22)19(13-31)23(27)26-21(24(28)29)11-14-12-25-20-7-3-2-5-15(14)20/h2-8,12,17,19,21,25,31H,9-11,13H2,1H3,(H,26,27)(H,28,29) | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115838
(2-[2-(5-Ethoxy-indan-1-yl)-3-mercapto-propionylami...)Show SMILES CCOc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C25H28N2O4S/c1-2-31-17-8-10-18-15(11-17)7-9-20(18)21(14-32)24(28)27-23(25(29)30)12-16-13-26-22-6-4-3-5-19(16)22/h3-6,8,10-11,13,20-21,23,26,32H,2,7,9,12,14H2,1H3,(H,27,28)(H,29,30) | PDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115851
((S)-2-[(S)-2-((S)-5-Bromo-indan-1-yl)-3-mercapto-p...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@@H]1CCc2cc(Br)ccc12 Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19+,21+/m1/s1 | PDB
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| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Endothelin-converting enzyme 1
(Homo sapiens (Human)) | BDBM50115846
((S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((R)-5-m...)Show SMILES COc1ccc2[C@H](CCc2c1)[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20+,22-/m0/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of endothelin converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115841
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(5-methoxy-indan...)Show SMILES COc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29) | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115835
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(6-methoxy-indan...)Show SMILES COc1ccc2CCC(C(CS)C(=O)NC(Cc3c[nH]c4ccccc34)C(O)=O)c2c1 Show InChI InChI=1S/C24H26N2O4S/c1-30-16-8-6-14-7-9-18(19(14)11-16)20(13-31)23(27)26-22(24(28)29)10-15-12-25-21-5-3-2-4-17(15)21/h2-6,8,11-12,18,20,22,25,31H,7,9-10,13H2,1H3,(H,26,27)(H,28,29) | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115837
(2-[2-(5-Cyano-indan-1-yl)-3-mercapto-propionylamin...)Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(ccc12)C#N Show InChI InChI=1S/C24H23N3O3S/c25-11-14-5-7-17-15(9-14)6-8-19(17)20(13-31)23(28)27-22(24(29)30)10-16-12-26-21-4-2-1-3-18(16)21/h1-5,7,9,12,19-20,22,26,31H,6,8,10,13H2,(H,27,28)(H,29,30) | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115845
(2-[2-(5-Bromo-indan-1-yl)-3-mercapto-propionylamin...)Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(Br)ccc12 Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115847
((2S)-2-[(2R)-2-[(1S)-5-bromo-2,3-dihydro-1H-inden-...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@@H]1CCc2cc(Br)ccc12 Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19-,21+/m1/s1 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115849
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(5-methylsulfany...)Show SMILES CSc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O3S2/c1-31-16-7-9-17-14(10-16)6-8-19(17)20(13-30)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,30H,6,8,11,13H2,1H3,(H,26,27)(H,28,29) | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115834
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(5-phenyl-indan-...)Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(ccc12)-c1ccccc1 Show InChI InChI=1S/C29H28N2O3S/c32-28(31-27(29(33)34)15-21-16-30-26-9-5-4-8-23(21)26)25(17-35)24-13-11-20-14-19(10-12-22(20)24)18-6-2-1-3-7-18/h1-10,12,14,16,24-25,27,30,35H,11,13,15,17H2,(H,31,32)(H,33,34) | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115852
(2-[2-(5-Dimethylamino-indan-1-yl)-3-mercapto-propi...)Show SMILES CN(C)c1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C25H29N3O3S/c1-28(2)17-8-10-18-15(11-17)7-9-20(18)21(14-32)24(29)27-23(25(30)31)12-16-13-26-22-6-4-3-5-19(16)22/h3-6,8,10-11,13,20-21,23,26,32H,7,9,12,14H2,1-2H3,(H,27,29)(H,30,31) | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115848
((S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((S)-5-m...)Show SMILES COc1ccc2[C@@H](CCc2c1)[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20-,22+/m1/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115836
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(4-methoxy-indan...)Show SMILES COc1cccc2C(CCc12)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-22-8-4-6-16-17(9-10-18(16)22)19(13-31)23(27)26-21(24(28)29)11-14-12-25-20-7-3-2-5-15(14)20/h2-8,12,17,19,21,25,31H,9-11,13H2,1H3,(H,26,27)(H,28,29) | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115838
(2-[2-(5-Ethoxy-indan-1-yl)-3-mercapto-propionylami...)Show SMILES CCOc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C25H28N2O4S/c1-2-31-17-8-10-18-15(11-17)7-9-20(18)21(14-32)24(28)27-23(25(29)30)12-16-13-26-22-6-4-3-5-19(16)22/h3-6,8,10-11,13,20-21,23,26,32H,2,7,9,12,14H2,1H3,(H,27,28)(H,29,30) | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Endothelin-converting enzyme 1
(Homo sapiens (Human)) | BDBM50115843
((2S)-2-[(2R)-2-[(1R)-5-bromo-2,3-dihydro-1H-inden-...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2cc(Br)ccc12 Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19+,21-/m0/s1 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of endothelin converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115842
(2-(2-Indan-1-yl-3-mercapto-propionylamino)-3-(1H-i...)Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2ccccc12 Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28) | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Endothelin-converting enzyme 1
(Homo sapiens (Human)) | BDBM50115841
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(5-methoxy-indan...)Show SMILES COc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29) | PDB
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of endothelin converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115846
((S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((R)-5-m...)Show SMILES COc1ccc2[C@H](CCc2c1)[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20+,22-/m0/s1 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Endothelin-converting enzyme 1
(Homo sapiens (Human)) | BDBM21653
((2S)-2-[(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28)/t18-,19+,21-/m0/s1 | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of endothelin converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115834
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(5-phenyl-indan-...)Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(ccc12)-c1ccccc1 Show InChI InChI=1S/C29H28N2O3S/c32-28(31-27(29(33)34)15-21-16-30-26-9-5-4-8-23(21)26)25(17-35)24-13-11-20-14-19(10-12-22(20)24)18-6-2-1-3-7-18/h1-10,12,14,16,24-25,27,30,35H,11,13,15,17H2,(H,31,32)(H,33,34) | PDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Endothelin-converting enzyme 1
(Homo sapiens (Human)) | BDBM50115840
((S)-2-[(S)-2-(5-Bromo-indan-1-yl)-3-mercapto-propi...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@H]1CCc2cc(Br)ccc12 Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19-,21-/m0/s1 | PDB
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of endothelin converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115844
((S)-3-(1H-Indol-3-yl)-2-[(S)-3-mercapto-2-((S)-5-m...)Show SMILES COc1ccc2[C@@H](CCc2c1)[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20+,22+/m1/s1 | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115848
((S)-3-(1H-Indol-3-yl)-2-[(R)-3-mercapto-2-((S)-5-m...)Show SMILES COc1ccc2[C@@H](CCc2c1)[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20-,22+/m1/s1 | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Endothelin-converting enzyme 1
(Homo sapiens (Human)) | BDBM50115845
(2-[2-(5-Bromo-indan-1-yl)-3-mercapto-propionylamin...)Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(Br)ccc12 Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29) | PDB
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of endothelin converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115835
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(6-methoxy-indan...)Show SMILES COc1ccc2CCC(C(CS)C(=O)NC(Cc3c[nH]c4ccccc34)C(O)=O)c2c1 Show InChI InChI=1S/C24H26N2O4S/c1-30-16-8-6-14-7-9-18(19(14)11-16)20(13-31)23(27)26-22(24(28)29)10-15-12-25-21-5-3-2-4-17(15)21/h2-6,8,11-12,18,20,22,25,31H,7,9-10,13H2,1H3,(H,26,27)(H,28,29) | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Endothelin-converting enzyme 1
(Homo sapiens (Human)) | BDBM50115849
(3-(1H-Indol-3-yl)-2-[3-mercapto-2-(5-methylsulfany...)Show SMILES CSc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O3S2/c1-31-16-7-9-17-14(10-16)6-8-19(17)20(13-30)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,30H,6,8,11,13H2,1H3,(H,26,27)(H,28,29) | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of endothelin converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM21653
((2S)-2-[(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2ccccc12 |r| Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28)/t18-,19+,21-/m0/s1 | PDB
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| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115852
(2-[2-(5-Dimethylamino-indan-1-yl)-3-mercapto-propi...)Show SMILES CN(C)c1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C25H29N3O3S/c1-28(2)17-8-10-18-15(11-17)7-9-20(18)21(14-32)24(29)27-23(25(30)31)12-16-13-26-22-6-4-3-5-19(16)22/h3-6,8,10-11,13,20-21,23,26,32H,7,9,12,14H2,1-2H3,(H,27,29)(H,30,31) | PDB
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| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Endothelin-converting enzyme 1
(Homo sapiens (Human)) | BDBM50115838
(2-[2-(5-Ethoxy-indan-1-yl)-3-mercapto-propionylami...)Show SMILES CCOc1ccc2C(CCc2c1)C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C25H28N2O4S/c1-2-31-17-8-10-18-15(11-17)7-9-20(18)21(14-32)24(28)27-23(25(29)30)12-16-13-26-22-6-4-3-5-19(16)22/h3-6,8,10-11,13,20-21,23,26,32H,2,7,9,12,14H2,1H3,(H,27,28)(H,29,30) | PDB
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of endothelin converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115843
((2S)-2-[(2R)-2-[(1R)-5-bromo-2,3-dihydro-1H-inden-...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2cc(Br)ccc12 Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19+,21-/m0/s1 | PDB
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| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115851
((S)-2-[(S)-2-((S)-5-Bromo-indan-1-yl)-3-mercapto-p...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@@H]1CCc2cc(Br)ccc12 Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19+,21+/m1/s1 | PDB
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| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115847
((2S)-2-[(2R)-2-[(1S)-5-bromo-2,3-dihydro-1H-inden-...)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@@H]1CCc2cc(Br)ccc12 Show InChI InChI=1S/C23H23BrN2O3S/c24-15-6-8-16-13(9-15)5-7-18(16)19(12-30)22(27)26-21(23(28)29)10-14-11-25-20-4-2-1-3-17(14)20/h1-4,6,8-9,11,18-19,21,25,30H,5,7,10,12H2,(H,26,27)(H,28,29)/t18-,19-,21+/m1/s1 | PDB
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| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115844
((S)-3-(1H-Indol-3-yl)-2-[(S)-3-mercapto-2-((S)-5-m...)Show SMILES COc1ccc2[C@@H](CCc2c1)[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C24H26N2O4S/c1-30-16-7-9-17-14(10-16)6-8-19(17)20(13-31)23(27)26-22(24(28)29)11-15-12-25-21-5-3-2-4-18(15)21/h2-5,7,9-10,12,19-20,22,25,31H,6,8,11,13H2,1H3,(H,26,27)(H,28,29)/t19-,20+,22+/m1/s1 | PDB
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| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Neprilysin
(Oryctolagus cuniculus (rabbit)) | BDBM50115833
(2-[2-(5,6-Dimethoxy-indan-1-yl)-3-mercapto-propion...)Show SMILES COc1cc2CCC(C(CS)C(=O)NC(Cc3c[nH]c4ccccc34)C(O)=O)c2cc1OC Show InChI InChI=1S/C25H28N2O5S/c1-31-22-10-14-7-8-17(18(14)11-23(22)32-2)19(13-33)24(28)27-21(25(29)30)9-15-12-26-20-6-4-3-5-16(15)20/h3-6,10-12,17,19,21,26,33H,7-9,13H2,1-2H3,(H,27,28)(H,29,30) | PDB
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| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Neutral endopeptidase. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
Angiotensin-converting enzyme
(Rattus norvegicus) | BDBM50115833
(2-[2-(5,6-Dimethoxy-indan-1-yl)-3-mercapto-propion...)Show SMILES COc1cc2CCC(C(CS)C(=O)NC(Cc3c[nH]c4ccccc34)C(O)=O)c2cc1OC Show InChI InChI=1S/C25H28N2O5S/c1-31-22-10-14-7-8-17(18(14)11-23(22)32-2)19(13-33)24(28)27-21(25(29)30)9-15-12-26-20-6-4-3-5-16(15)20/h3-6,10-12,17,19,21,26,33H,7-9,13H2,1-2H3,(H,27,28)(H,29,30) | PDB
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| 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
In vitro inhibition of Angiotensin I converting enzyme. |
Bioorg Med Chem Lett 12: 2001-5 (2002)
BindingDB Entry DOI: 10.7270/Q27080S4 |
More data for this
Ligand-Target Pair | |
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