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Compile Data Set for Download or QSAR

Found 26 hits with Last Name = 'guesné' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neprilysin


(Homo sapiens (Human))
BDBM50373665
PNG
(CHEMBL442455)
Show SMILES CC(C)CN(CP(O)(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C19H25N2O6P/c1-13(2)11-21(12-28(25,26)27)19(24)20-17(18(22)23)10-14-7-8-15-5-3-4-6-16(15)9-14/h3-9,13,17H,10-12H2,1-2H3,(H,20,24)(H,22,23)(H2,25,26,27)/t17-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373657
PNG
(CHEMBL450935)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C21H26N2O6/c1-13(2)11-23(12-18(24)20(27)28)21(29)22-17(19(25)26)10-14-7-8-15-5-3-4-6-16(15)9-14/h3-9,13,17-18,24H,10-12H2,1-2H3,(H,22,29)(H,25,26)(H,27,28)/t17-,18-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373663
PNG
(CHEMBL273142)
Show SMILES CC(C)(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C22H28N2O6/c1-22(2,3)13-24(12-18(25)20(28)29)21(30)23-17(19(26)27)11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,17-18,25H,11-13H2,1-3H3,(H,23,30)(H,26,27)(H,28,29)/t17-,18-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373668
PNG
(CHEMBL270576)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C17H24N2O7/c1-10(2)8-19(9-14(21)16(24)25)17(26)18-13(15(22)23)7-11-3-5-12(20)6-4-11/h3-6,10,13-14,20-21H,7-9H2,1-2H3,(H,18,26)(H,22,23)(H,24,25)/t13-,14-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373661
PNG
(CHEMBL257251)
Show SMILES CC(C)CN(CCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C20H27N2O6P/c1-14(2)13-22(9-10-29(26,27)28)20(25)21-18(19(23)24)12-15-7-8-16-5-3-4-6-17(16)11-15/h3-8,11,14,18H,9-10,12-13H2,1-2H3,(H,21,25)(H,23,24)(H2,26,27,28)/t18-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373660
PNG
(CHEMBL255568)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C19H25N3O6/c1-11(2)9-22(10-16(23)18(26)27)19(28)21-15(17(24)25)7-12-8-20-14-6-4-3-5-13(12)14/h3-6,8,11,15-16,20,23H,7,9-10H2,1-2H3,(H,21,28)(H,24,25)(H,26,27)/t15-,16-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373664
PNG
(CHEMBL409920)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(O)=O
Show InChI InChI=1S/C21H26N2O6/c1-13(2)11-23(12-18(24)20(27)28)21(29)22-17(19(25)26)10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13,17-18,24H,10-12H2,1-2H3,(H,22,29)(H,25,26)(H,27,28)/t17-,18-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373669
PNG
(CHEMBL409720)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H28N2O6/c1-15(2)13-25(14-20(26)22(29)30)23(31)24-19(21(27)28)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,15,19-20,26H,12-14H2,1-2H3,(H,24,31)(H,27,28)(H,29,30)/t19-,20-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373659
PNG
(CHEMBL258278)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C17H24N2O8/c1-9(2)7-19(8-14(22)16(25)26)17(27)18-11(15(23)24)5-10-3-4-12(20)13(21)6-10/h3-4,6,9,11,14,20-22H,5,7-8H2,1-2H3,(H,18,27)(H,23,24)(H,25,26)/t11-,14-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373659
PNG
(CHEMBL258278)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C17H24N2O8/c1-9(2)7-19(8-14(22)16(25)26)17(27)18-11(15(23)24)5-10-3-4-12(20)13(21)6-10/h3-4,6,9,11,14,20-22H,5,7-8H2,1-2H3,(H,18,27)(H,23,24)(H,25,26)/t11-,14-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373665
PNG
(CHEMBL442455)
Show SMILES CC(C)CN(CP(O)(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C19H25N2O6P/c1-13(2)11-21(12-28(25,26)27)19(24)20-17(18(22)23)10-14-7-8-15-5-3-4-6-16(15)9-14/h3-9,13,17H,10-12H2,1-2H3,(H,20,24)(H,22,23)(H2,25,26,27)/t17-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373669
PNG
(CHEMBL409720)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C23H28N2O6/c1-15(2)13-25(14-20(26)22(29)30)23(31)24-19(21(27)28)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,15,19-20,26H,12-14H2,1-2H3,(H,24,31)(H,27,28)(H,29,30)/t19-,20-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373672
PNG
(CHEMBL257416)
Show SMILES CCC(CC)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C23H30N2O6/c1-3-15(4-2)13-25(14-20(26)22(29)30)23(31)24-19(21(27)28)12-16-9-10-17-7-5-6-8-18(17)11-16/h5-11,15,19-20,26H,3-4,12-14H2,1-2H3,(H,24,31)(H,27,28)(H,29,30)/t19-,20-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373667
PNG
(CHEMBL258130)
Show SMILES O[C@@H](CN(Cc1ccc2-c3ccccc3C(=O)c2c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H26N2O7/c34-27(30(38)39)17-33(16-19-10-12-23-22-7-3-4-8-24(22)28(35)25(23)14-19)31(40)32-26(29(36)37)15-18-9-11-20-5-1-2-6-21(20)13-18/h1-14,26-27,34H,15-17H2,(H,32,40)(H,36,37)(H,38,39)/t26-,27-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373658
PNG
(CHEMBL273140)
Show SMILES O[C@@H](CN(Cc1ccc2C(=O)c3ccccc3C(=O)c2c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C32H26N2O8/c35-27(31(40)41)17-34(16-19-10-12-24-25(14-19)29(37)23-8-4-3-7-22(23)28(24)36)32(42)33-26(30(38)39)15-18-9-11-20-5-1-2-6-21(20)13-18/h1-14,26-27,35H,15-17H2,(H,33,42)(H,38,39)(H,40,41)/t26-,27-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373657
PNG
(CHEMBL450935)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C21H26N2O6/c1-13(2)11-23(12-18(24)20(27)28)21(29)22-17(19(25)26)10-14-7-8-15-5-3-4-6-16(15)9-14/h3-9,13,17-18,24H,10-12H2,1-2H3,(H,22,29)(H,25,26)(H,27,28)/t17-,18-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373668
PNG
(CHEMBL270576)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C17H24N2O7/c1-10(2)8-19(9-14(21)16(24)25)17(26)18-13(15(22)23)7-11-3-5-12(20)6-4-11/h3-6,10,13-14,20-21H,7-9H2,1-2H3,(H,18,26)(H,22,23)(H,24,25)/t13-,14-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373671
PNG
(CHEMBL272575)
Show SMILES O[C@@H](CN(CC1CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H26N2O7/c22-14-7-5-12(6-8-14)9-15(17(24)25)20-19(28)21(11-16(23)18(26)27)10-13-3-1-2-4-13/h5-8,13,15-16,22-23H,1-4,9-11H2,(H,20,28)(H,24,25)(H,26,27)/t15-,16-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373660
PNG
(CHEMBL255568)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C19H25N3O6/c1-11(2)9-22(10-16(23)18(26)27)19(28)21-15(17(24)25)7-12-8-20-14-6-4-3-5-13(12)14/h3-6,8,11,15-16,20,23H,7,9-10H2,1-2H3,(H,21,28)(H,24,25)(H,26,27)/t15-,16-/m0/s1
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n/an/a 103n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373664
PNG
(CHEMBL409920)
Show SMILES CC(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(O)=O
Show InChI InChI=1S/C21H26N2O6/c1-13(2)11-23(12-18(24)20(27)28)21(29)22-17(19(25)26)10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13,17-18,24H,10-12H2,1-2H3,(H,22,29)(H,25,26)(H,27,28)/t17-,18-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373662
PNG
(CHEMBL256895)
Show SMILES O[C@@H](CN(Cc1ccc-2c(Cc3ccccc-23)c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H28N2O6/c34-28(30(37)38)18-33(17-20-10-12-26-24(14-20)16-23-7-3-4-8-25(23)26)31(39)32-27(29(35)36)15-19-9-11-21-5-1-2-6-22(21)13-19/h1-14,27-28,34H,15-18H2,(H,32,39)(H,35,36)(H,37,38)/t27-,28-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373663
PNG
(CHEMBL273142)
Show SMILES CC(C)(C)CN(C[C@H](O)C(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C22H28N2O6/c1-22(2,3)13-24(12-18(25)20(28)29)21(30)23-17(19(26)27)11-14-8-9-15-6-4-5-7-16(15)10-14/h4-10,17-18,25H,11-13H2,1-3H3,(H,23,30)(H,26,27)(H,28,29)/t17-,18-/m0/s1
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n/an/a 191n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373666
PNG
(CHEMBL271718)
Show SMILES O[C@@H](CN(CCN1C(=O)c2cccc3cccc(C1=O)c23)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H27N3O8/c35-25(30(40)41)17-33(13-14-34-27(36)22-9-3-7-20-8-4-10-23(26(20)22)28(34)37)31(42)32-24(29(38)39)16-18-11-12-19-5-1-2-6-21(19)15-18/h1-12,15,24-25,35H,13-14,16-17H2,(H,32,42)(H,38,39)(H,40,41)/t24-,25-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373670
PNG
(CHEMBL402569)
Show SMILES O[C@@H](CN(CC1CCCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H28N2O7/c23-15-8-6-13(7-9-15)10-16(18(25)26)21-20(29)22(12-17(24)19(27)28)11-14-4-2-1-3-5-14/h6-9,14,16-17,23-24H,1-5,10-12H2,(H,21,29)(H,25,26)(H,27,28)/t16-,17-/m0/s1
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n/an/a 1.54E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50373666
PNG
(CHEMBL271718)
Show SMILES O[C@@H](CN(CCN1C(=O)c2cccc3cccc(C1=O)c23)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H27N3O8/c35-25(30(40)41)17-33(13-14-34-27(36)22-9-3-7-20-8-4-10-23(26(20)22)28(34)37)31(42)32-24(29(38)39)16-18-11-12-19-5-1-2-6-21(19)15-18/h1-12,15,24-25,35H,13-14,16-17H2,(H,32,42)(H,38,39)(H,40,41)/t24-,25-/m0/s1
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n/an/a 1.98E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of ACE


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50373662
PNG
(CHEMBL256895)
Show SMILES O[C@@H](CN(Cc1ccc-2c(Cc3ccccc-23)c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C31H28N2O6/c34-28(30(37)38)18-33(17-20-10-12-26-24(14-20)16-23-7-3-4-8-25(23)26)31(39)32-27(29(35)36)15-19-9-11-21-5-1-2-6-22(21)13-19/h1-14,27-28,34H,15-18H2,(H,32,39)(H,35,36)(H,37,38)/t27-,28-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


Bioorg Med Chem Lett 18: 1058-62 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.013
BindingDB Entry DOI: 10.7270/Q23N2483
More data for this
Ligand-Target Pair