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Compile Data Set for Download or QSAR

Found 866 hits Enz. Inhib. hit(s) with Target = 'Neprilysin'   
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))
BDBM50411736
PNG
(CHEMBL271225)
Show SMILES CC(C)C[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H25NO3S/c1-14(2)12-19(26)20(23)22-18(21(24)25)13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18-19,26H,12-13H2,1-2H3,(H,22,23)(H,24,25)/t18-,19-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50024101
PNG
((S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C13H17NO3S/c1-9(13(16)17)14-12(15)11(8-18)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,14,15)(H,16,17)/t9-,11+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Pharmaleads , Paris BioPark, 11 Rue Watt, 75013 Paris, France.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP using Suc-Ala-Ala-Phe-AMC as substrate after 30 mins by fluorimetry


J Med Chem 57: 5748-63 (2014)

More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM21653
PNG
((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
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
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0.700 -54.4n/an/an/an/an/a7.437



CNRS



Assay Description
NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp...


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM21653
PNG
((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
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
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0.700n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50411731
PNG
(CHEMBL257726)
Show SMILES CC[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H21NO3S/c1-2-17(24)18(21)20-16(19(22)23)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16-17,24H,2,12H2,1H3,(H,20,21)(H,22,23)/t16-,17-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)

More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50087104
PNG
(C-{[3-Biphenyl-4-yl-2-(carboxymethyl-carbamoyl)-pr...)
Show SMILES [NH3+][C@H](c1ccccc1)P(O)(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C25H27N2O5P/c26-24(21-9-5-2-6-10-21)33(31,32)17-22(25(30)27-16-23(28)29)15-18-11-13-20(14-12-18)19-7-3-1-4-8-19/h1-14,22,24H,15-17,26H2,(H,27,30)(H,28,29)(H,31,32)/p+1/t22-,24+/m1/s1
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0.940n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50286715
PNG
((S)-3-biphenyl-4-yl-2-((S)-2-mercapto-3-phenyl-pro...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](S)Cc1ccccc1
Show InChI InChI=1S/C24H23NO3S/c26-23(22(29)16-17-7-3-1-4-8-17)25-21(24(27)28)15-18-11-13-20(14-12-18)19-9-5-2-6-10-19/h1-14,21-22,29H,15-16H2,(H,25,26)(H,27,28)/t21-,22-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)

More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50087106
PNG
((2S)-2-[(2S)-3-{[(1S)-1-azaniumylethyl](hydroxy)ph...)
Show SMILES C[C@@H]([NH3+])P(O)(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C21H27N2O5P/c1-14(21(25)26)23-20(24)19(13-29(27,28)15(2)22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/p+1/t14-,15-,19+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50105262
PNG
(2-{3-[(1-Amino-ethyl)-hydroxy-phosphinoyl]-2-biphe...)
Show SMILES C[C@@H]([NH3+])P(O)(=O)C[C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C([O-])=O
Show InChI InChI=1S/C21H27N2O5P/c1-14(21(25)26)23-20(24)19(13-29(27,28)15(2)22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/t14-,15-,19-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of enkephalin degrading enzyme, neutral endopeptidase (NEP)


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50411730
PNG
(CHEMBL257270)
Show SMILES CCCC[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H25NO3S/c1-2-3-9-19(26)20(23)22-18(21(24)25)14-15-10-12-17(13-11-15)16-7-5-4-6-8-16/h4-8,10-13,18-19,26H,2-3,9,14H2,1H3,(H,22,23)(H,24,25)/t18-,19-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)

More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115846
PNG
((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
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1.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50286724
PNG
((S)-3-Biphenyl-4-yl-2-((R)-2-mercapto-3-phenyl-pro...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](S)Cc1ccccc1
Show InChI InChI=1S/C24H23NO3S/c26-23(22(29)16-17-7-3-1-4-8-17)25-21(24(27)28)15-18-11-13-20(14-12-18)19-9-5-2-6-10-19/h1-14,21-22,29H,15-16H2,(H,25,26)(H,27,28)/t21-,22+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)

More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50087088
PNG
((2S)-2-[(2S)-3-[(1-azaniumylethyl)(hydroxy)phospho...)
Show SMILES CC([NH3+])P(O)(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C21H27N2O5P/c1-14(21(25)26)23-20(24)19(13-29(27,28)15(2)22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13,22H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)/p+1/t14-,15?,19+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50303326
PNG
((S)-2-{2-Benzyl-3-[((R)-1-benzyloxycarbonylamino-2...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C37H38N3O7P/c41-35(39-33(36(42)43)22-29-23-38-32-19-11-10-18-31(29)32)30(20-26-12-4-1-5-13-26)25-48(45,46)34(21-27-14-6-2-7-15-27)40-37(44)47-24-28-16-8-3-9-17-28/h1-19,23,30,33-34,38H,20-22,24-25H2,(H,39,41)(H,40,44)(H,42,43)(H,45,46)/t30?,33-,34+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO)

Curated by ChEMBL


Assay Description
Inhibition of human somatic NEP


J Med Chem 53: 208-20 (2010)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50024102
PNG
(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Pharmaleads , Paris BioPark, 11 Rue Watt, 75013 Paris, France.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP using Suc-Ala-Ala-Phe-AMC as substrate after 30 mins by fluorimetry


J Med Chem 57: 5748-63 (2014)

More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM21649
PNG
((2S)-3-(1H-indol-3-yl)-2-[(2R,3R)-3-(4-phenylpheny...)
Show SMILES C[C@H]([C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H28N2O3S/c1-18(19-11-13-21(14-12-19)20-7-3-2-4-8-20)24(17-34)27(31)30-26(28(32)33)15-22-16-29-25-10-6-5-9-23(22)25/h2-14,16,18,24,26,29,34H,15,17H2,1H3,(H,30,31)(H,32,33)/t18-,24+,26-/m0/s1
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1.5 -52.4n/an/an/an/an/a7.437



CNRS



Assay Description
NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp...


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50023103
PNG
(CHEMBL3298934)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H17NO5S/c16-12(17)7-11(14(19)20)15-13(18)10(8-21)6-9-4-2-1-3-5-9/h1-5,10-11,21H,6-8H2,(H,15,18)(H,16,17)(H,19,20)/t10-,11+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Pharmaleads , Paris BioPark, 11 Rue Watt, 75013 Paris, France.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP using Suc-Ala-Ala-Phe-AMC as substrate after 30 mins by fluorimetry


J Med Chem 57: 5748-63 (2014)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50105264
PNG
(2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)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)/p-1/t9-,11+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of enkephalin degrading enzyme, neutral endopeptidase (NEP)


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50024096
PNG
(((R)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of recombinant human neprilysin(NEP).


Bioorg Med Chem Lett 6: 2437-2440 (1996)

More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115843
PNG
((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
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1.80n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM21639
PNG
((2S)-2-[2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpr...)
Show SMILES OC(=O)[C@H](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)/t18?,19?,21-/m0/s1
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1.80 -51.9n/an/an/an/an/a7.437



CNRS



Assay Description
NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp...


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115842
PNG
(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)
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1.80n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50024102
PNG
(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Tested for binding affinity against neutral endopeptidase (NEP)


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50023104
PNG
(CHEMBL3298935)
Show SMILES C[C@H](NC(=O)C(CS)Cc1ccsc1)C(O)=O
Show InChI InChI=1S/C11H15NO3S2/c1-7(11(14)15)12-10(13)9(5-16)4-8-2-3-17-6-8/h2-3,6-7,9,16H,4-5H2,1H3,(H,12,13)(H,14,15)/t7-,9?/m0/s1
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2n/an/an/an/an/an/an/an/a



Pharmaleads , Paris BioPark, 11 Rue Watt, 75013 Paris, France.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP using Suc-Ala-Ala-Phe-AMC as substrate after 30 mins by fluorimetry


J Med Chem 57: 5748-63 (2014)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50105263
PNG
(2-{3-[(Amino-phenyl-methyl)-hydroxy-phosphinoyl]-2...)
Show SMILES C[C@H](NC(=O)[C@@H](Cc1ccc(cc1)-c1ccccc1)CP(O)(=O)[C@H]([NH3+])c1ccccc1)C([O-])=O
Show InChI InChI=1S/C26H29N2O5P/c1-18(26(30)31)28-25(29)23(17-34(32,33)24(27)22-10-6-3-7-11-22)16-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2-15,18,23-24H,16-17,27H2,1H3,(H,28,29)(H,30,31)(H,32,33)/t18-,23-,24-/m0/s1
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2n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of enkephalin degrading enzyme, neutral endopeptidase (NEP)


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50105261
PNG
(1-[2-(1-Benzyloxycarbonyl-2-phenyl-ethylcarbamoyl)...)
Show SMILES CSCC[C@H]([NH3+])CSSC[C@@H](Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C31H38N2O3S3/c1-37-18-17-28(32)23-39-38-22-27(19-24-11-5-2-6-12-24)30(34)33-29(20-25-13-7-3-8-14-25)31(35)36-21-26-15-9-4-10-16-26/h2-16,27-29H,17-23,32H2,1H3,(H,33,34)/p+1/t27-,28+,29?/m1/s1
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2n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of enkephalin degrading enzyme, neutral endopeptidase (NEP)


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50087113
PNG
((2S)-2-[(2S)-3-{[(S)-azaniumyl(phenyl)methyl](hydr...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)CP(O)(=O)[C@H]([NH3+])c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H29N2O5P/c1-18(26(30)31)28-25(29)23(17-34(32,33)24(27)22-10-6-3-7-11-22)16-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2-15,18,23-24H,16-17,27H2,1H3,(H,28,29)(H,30,31)(H,32,33)/p+1/t18-,23+,24-/m0/s1
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2n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50407297
PNG
(CHEMBL2052008)
Show SMILES C[C@H](NC(=O)[C@H](CS)[C@@H](C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C14H19NO3S/c1-9(11-6-4-3-5-7-11)12(8-19)13(16)15-10(2)14(17)18/h3-7,9-10,12,19H,8H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-,12+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM21654
PNG
((2S)-2-[(2S)-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
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
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2.10 -51.5n/an/an/an/an/a7.437



CNRS



Assay Description
NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp...


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM21643
PNG
(CGS-31,447 | [3-(naphthalen-1-yl)-1-{[(1S)-2-(4-ph...)
Show SMILES OP(O)(=O)C(CCc1cccc2ccccc12)N[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C28H28N5O3P/c34-37(35,36)27(18-17-24-11-6-10-23-9-4-5-12-25(23)24)29-26(28-30-32-33-31-28)19-20-13-15-22(16-14-20)21-7-2-1-3-8-21/h1-16,26-27,29H,17-19H2,(H2,34,35,36)(H,30,31,32,33)/t26-,27?/m0/s1
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2.20 -51.4n/an/an/an/an/a7.437



CNRS



Assay Description
NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp...


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50024102
PNG
(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of recombinant human neprilysin(NEP).


Bioorg Med Chem Lett 6: 2437-2440 (1996)

More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM21644
PNG
((2S)-3-(1H-indol-3-yl)-2-[(2S,3S)-3-phenyl-2-(sulf...)
Show SMILES C[C@@H]([C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccccc1
Show InChI InChI=1S/C22H24N2O3S/c1-14(15-7-3-2-4-8-15)18(13-28)21(25)24-20(22(26)27)11-16-12-23-19-10-6-5-9-17(16)19/h2-10,12,14,18,20,23,28H,11,13H2,1H3,(H,24,25)(H,26,27)/t14-,18+,20+/m1/s1
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2.20 -51.4n/an/an/an/an/a7.437



CNRS



Assay Description
NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp...


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50087085
PNG
((2S)-2-[(2S)-3-{[(1S)-1-azaniumyl-2-phenylethyl](h...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)CP(O)(=O)[C@H]([NH3+])Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H31N2O5P/c1-19(27(31)32)29-26(30)24(18-35(33,34)25(28)17-20-8-4-2-5-9-20)16-21-12-14-23(15-13-21)22-10-6-3-7-11-22/h2-15,19,24-25H,16-18,28H2,1H3,(H,29,30)(H,31,32)(H,33,34)/p+1/t19-,24+,25-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50407297
PNG
(CHEMBL2052008)
Show SMILES C[C@H](NC(=O)[C@H](CS)[C@@H](C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C14H19NO3S/c1-9(11-6-4-3-5-7-11)12(8-19)13(16)15-10(2)14(17)18/h3-7,9-10,12,19H,8H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-,12+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50087085
PNG
((2S)-2-[(2S)-3-{[(1S)-1-azaniumyl-2-phenylethyl](h...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)CP(O)(=O)[C@H]([NH3+])Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H31N2O5P/c1-19(27(31)32)29-26(30)24(18-35(33,34)25(28)17-20-8-4-2-5-9-20)16-21-12-14-23(15-13-21)22-10-6-3-7-11-22/h2-15,19,24-25H,16-18,28H2,1H3,(H,29,30)(H,31,32)(H,33,34)/p+1/t19-,24+,25-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM21645
PNG
((2S)-3-(1H-indol-3-yl)-2-[(2R,3R)-3-phenyl-2-(sulf...)
Show SMILES C[C@H]([C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccccc1
Show InChI InChI=1S/C22H24N2O3S/c1-14(15-7-3-2-4-8-15)18(13-28)21(25)24-20(22(26)27)11-16-12-23-19-10-6-5-9-17(16)19/h2-10,12,14,18,20,23,28H,11,13H2,1H3,(H,24,25)(H,26,27)/t14-,18+,20-/m0/s1
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2.40 -51.2n/an/an/an/an/a7.437



CNRS



Assay Description
NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp...


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50411729
PNG
(CHEMBL269996)
Show SMILES CC[C@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H25NO3S/c1-3-14(2)19(26)20(23)22-18(21(24)25)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,14,18-19,26H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,18-,19-/m0/s1
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2.40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50023097
PNG
(CHEMBL3298860)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H19NO4S/c1-9(16)12(14(18)19)15-13(17)11(8-20)7-10-5-3-2-4-6-10/h2-6,9,11-12,16,20H,7-8H2,1H3,(H,15,17)(H,18,19)/t9-,11-,12+/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Pharmaleads , Paris BioPark, 11 Rue Watt, 75013 Paris, France.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP using Suc-Ala-Ala-Phe-AMC as substrate after 30 mins by fluorimetry


J Med Chem 57: 5748-63 (2014)

More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM21646
PNG
((2S)-3-(1H-indol-3-yl)-2-[(2S,3R)-3-phenyl-2-(sulf...)
Show SMILES C[C@H]([C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccccc1
Show InChI InChI=1S/C22H24N2O3S/c1-14(15-7-3-2-4-8-15)18(13-28)21(25)24-20(22(26)27)11-16-12-23-19-10-6-5-9-17(16)19/h2-10,12,14,18,20,23,28H,11,13H2,1H3,(H,24,25)(H,26,27)/t14-,18-,20-/m0/s1
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2.5 -51.1n/an/an/an/an/a7.437



CNRS



Assay Description
NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp...


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50411725
PNG
(CHEMBL271223)
Show SMILES CC(C)(C)C[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H27NO3S/c1-22(2,3)14-19(27)20(24)23-18(21(25)26)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,18-19,27H,13-14H2,1-3H3,(H,23,24)(H,25,26)/t18-,19-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50411735
PNG
(CHEMBL402987)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](S)CCc1ccccc1
Show InChI InChI=1S/C25H25NO3S/c27-24(23(30)16-13-18-7-3-1-4-8-18)26-22(25(28)29)17-19-11-14-21(15-12-19)20-9-5-2-6-10-20/h1-12,14-15,22-23,30H,13,16-17H2,(H,26,27)(H,28,29)/t22-,23-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)

More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50115850
PNG
((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
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2.70n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


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Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50087100
PNG
((2S)-2-[(2S)-3-{[azaniumyl(phenyl)methyl](hydroxy)...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)CP(O)(=O)C([NH3+])c1ccccc1)C(O)=O
Show InChI InChI=1S/C26H29N2O5P/c1-18(26(30)31)28-25(29)23(17-34(32,33)24(27)22-10-6-3-7-11-22)16-19-12-14-21(15-13-19)20-8-4-2-5-9-20/h2-15,18,23-24H,16-17,27H2,1H3,(H,28,29)(H,30,31)(H,32,33)/p+1/t18-,23+,24?/m0/s1
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2.90n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.


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Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50023069
PNG
(CHEMBL3298859)
Show SMILES OC[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C13H17NO4S/c15-7-11(13(17)18)14-12(16)10(8-19)6-9-4-2-1-3-5-9/h1-5,10-11,15,19H,6-8H2,(H,14,16)(H,17,18)/t10-,11+/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Pharmaleads , Paris BioPark, 11 Rue Watt, 75013 Paris, France.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP using Suc-Ala-Ala-Phe-AMC as substrate after 30 mins by fluorimetry


J Med Chem 57: 5748-63 (2014)

More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM21657
PNG
((2S)-3-(1H-indol-3-yl)-2-[(2R)-3-sulfanyl-2-[(1R)-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCCc2ccccc12
Show InChI InChI=1S/C24H26N2O3S/c27-23(20(14-30)19-10-5-7-15-6-1-2-8-17(15)19)26-22(24(28)29)12-16-13-25-21-11-4-3-9-18(16)21/h1-4,6,8-9,11,13,19-20,22,25,30H,5,7,10,12,14H2,(H,26,27)(H,28,29)/t19-,20+,22-/m0/s1
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3 -50.6n/an/an/an/an/a7.437



CNRS



Assay Description
NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp...


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Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM21635
PNG
((2S)-3-(1H-indol-3-yl)-2-[3-phenyl-2-(sulfanylmeth...)
Show SMILES CC(C(CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)c1ccccc1
Show InChI InChI=1S/C22H24N2O3S/c1-14(15-7-3-2-4-8-15)18(13-28)21(25)24-20(22(26)27)11-16-12-23-19-10-6-5-9-17(16)19/h2-10,12,14,18,20,23,28H,11,13H2,1H3,(H,24,25)(H,26,27)/t14?,18?,20-/m0/s1
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3 -50.6n/an/an/an/an/a7.437



CNRS



Assay Description
NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp...


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM21658
PNG
((2S)-3-(1H-indol-3-yl)-2-[(2S)-3-sulfanyl-2-[(1R)-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@H]1CCCc2ccccc12
Show InChI InChI=1S/C24H26N2O3S/c27-23(20(14-30)19-10-5-7-15-6-1-2-8-17(15)19)26-22(24(28)29)12-16-13-25-21-11-4-3-9-18(16)21/h1-4,6,8-9,11,13,19-20,22,25,30H,5,7,10,12,14H2,(H,26,27)(H,28,29)/t19-,20-,22-/m0/s1
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3 -50.6n/an/an/an/an/a7.437



CNRS



Assay Description
NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp...


Citation and Details
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50407299
PNG
(CHEMBL2052007)
Show SMILES C[C@H]([C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C20H23NO3S/c1-14(16-10-6-3-7-11-16)17(13-25)19(22)21-18(20(23)24)12-15-8-4-2-5-9-15/h2-11,14,17-18,25H,12-13H2,1H3,(H,21,22)(H,23,24)/t14-,17+,18-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


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More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50407299
PNG
(CHEMBL2052007)
Show SMILES C[C@H]([C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C20H23NO3S/c1-14(16-10-6-3-7-11-16)17(13-25)19(22)21-18(20(23)24)12-15-8-4-2-5-9-15/h2-11,14,17-18,25H,12-13H2,1H3,(H,21,22)(H,23,24)/t14-,17+,18-/m0/s1
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3.20n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


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More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50087101
PNG
(1-{[3-Biphenyl-4-yl-2-(1-carboxy-propylcarbamoyl)-...)
Show SMILES CC[C@H](NC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)CP(O)(=O)C([NH3+])Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H33N2O5P/c1-2-25(28(32)33)30-27(31)24(19-36(34,35)26(29)18-20-9-5-3-6-10-20)17-21-13-15-23(16-14-21)22-11-7-4-8-12-22/h3-16,24-26H,2,17-19,29H2,1H3,(H,30,31)(H,32,33)(H,34,35)/p+1/t24-,25+,26?/m1/s1
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3.30n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.


Citation and Details
More data for this
Ligand-Target Pair
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