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Compile Data Set for Download or QSAR

Found 515 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' AND taxid = 9606   
Target
(Institution)
LigandTarget
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


Citation and Details
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


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


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


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


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)


J Med Chem 44: 3523-30 (2001)

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


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


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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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


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


Citation and Details
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)


J Med Chem 44: 3523-30 (2001)

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).


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)


J Med Chem 44: 3523-30 (2001)

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)


J Med Chem 44: 3523-30 (2001)

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


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


J Med Chem 37: 1070-83 (1994)

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).


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


J Med Chem 37: 1070-83 (1994)

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


Citation and Details
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


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


Citation and Details
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


Citation and Details
More data for this
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


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


J Med Chem 37: 1070-83 (1994)

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


J Med Chem 37: 1070-83 (1994)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50023131
PNG
(CHEMBL3298940)
Show SMILES OC(=O)C[C@H](NC(=O)C1(CS)CCCC1)C(O)=O
Show InChI InChI=1S/C11H17NO5S/c13-8(14)5-7(9(15)16)12-10(17)11(6-18)3-1-2-4-11/h7,18H,1-6H2,(H,12,17)(H,13,14)(H,15,16)/t7-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Eur J Med Chem 102: 58-67 (2015)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50023131
PNG
(CHEMBL3298940)
Show SMILES OC(=O)C[C@H](NC(=O)C1(CS)CCCC1)C(O)=O
Show InChI InChI=1S/C11H17NO5S/c13-8(14)5-7(9(15)16)12-10(17)11(6-18)3-1-2-4-11/h7,18H,1-6H2,(H,12,17)(H,13,14)(H,15,16)/t7-/m0/s1
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3.5n/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


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


(Homo sapiens (Human))
BDBM21641
PNG
(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Show SMILES OC(=O)CNC(=O)C(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)
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4.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM50288076
PNG
(((E)-2-Mercaptomethyl-3-phenyl-acryloylamino)-acet...)
Show SMILES OC(=O)CNC(=O)C(\CS)=C/c1ccccc1
Show InChI InChI=1S/C12H13NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-6,17H,7-8H2,(H,13,16)(H,14,15)/b10-6-
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4.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM50407298
PNG
(CHEMBL2051772)
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+/m1/s1
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5.30n/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


J Med Chem 37: 1070-83 (1994)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50411728
PNG
(CHEMBL257229)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](S)C1CCC1
Show InChI InChI=1S/C21H23NO3S/c23-20(19(26)17-7-4-8-17)22-18(21(24)25)13-14-9-11-16(12-10-14)15-5-2-1-3-6-15/h1-3,5-6,9-12,17-19,26H,4,7-8,13H2,(H,22,23)(H,24,25)/t18-,19-/m0/s1
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5.40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


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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5.5n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Eur J Med Chem 102: 58-67 (2015)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50023128
PNG
(CHEMBL3298937)
Show SMILES C[C@@H](O)[C@H](NC(=O)C(CS)Cc1ccsc1)C(O)=O
Show InChI InChI=1S/C12H17NO4S2/c1-7(14)10(12(16)17)13-11(15)9(5-18)4-8-2-3-19-6-8/h2-3,6-7,9-10,14,18H,4-5H2,1H3,(H,13,15)(H,16,17)/t7-,9?,10+/m1/s1
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8.20n/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


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


(Homo sapiens (Human))
BDBM50073120
PNG
((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...)
Show SMILES OC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1
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9n/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


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


(Homo sapiens (Human))
BDBM50411606
PNG
(CHEMBL254282)
Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(Oc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C21H25NO4S/c1-3-14(2)19(27)20(23)22-18(21(24)25)13-15-9-11-17(12-10-15)26-16-7-5-4-6-8-16/h4-12,14,18-19,27H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,18+,19+/m1/s1
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


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


(Homo sapiens (Human))
BDBM50411608
PNG
(CHEMBL400527)
Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1cccc2ccccc12)C(O)=O
Show InChI InChI=1S/C19H23NO3S/c1-3-12(2)17(24)18(21)20-16(19(22)23)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12,16-17,24H,3,11H2,1-2H3,(H,20,21)(H,22,23)/t12-,16+,17+/m1/s1
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12n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


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


(Homo sapiens (Human))
BDBM50411733
PNG
(CHEMBL269997)
Show SMILES CC(C)[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C20H23NO3S/c1-13(2)18(25)19(22)21-17(20(23)24)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17-18,25H,12H2,1-2H3,(H,21,22)(H,23,24)/t17-,18-/m0/s1
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13n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


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


(Homo sapiens (Human))
BDBM50411722
PNG
(CHEMBL258333)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CS
Show InChI InChI=1S/C17H17NO3S/c19-16(11-22)18-15(17(20)21)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15,22H,10-11H2,(H,18,19)(H,20,21)/t15-/m0/s1
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13n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


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


(Homo sapiens (Human))
BDBM50023132
PNG
(CHEMBL3298941)
Show SMILES OC(=O)C[C@H](NC(=O)C1(CS)CCCCC1)C(O)=O
Show InChI InChI=1S/C12H19NO5S/c14-9(15)6-8(10(16)17)13-11(18)12(7-19)4-2-1-3-5-12/h8,19H,1-7H2,(H,13,18)(H,14,15)(H,16,17)/t8-/m0/s1
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18n/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


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


(Homo sapiens (Human))
BDBM50411598
PNG
(CHEMBL401397)
Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1cccc(c1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H25NO3S/c1-3-14(2)19(26)20(23)22-18(21(24)25)13-15-8-7-11-17(12-15)16-9-5-4-6-10-16/h4-12,14,18-19,26H,3,13H2,1-2H3,(H,22,23)(H,24,25)/t14-,18+,19+/m1/s1
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19n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


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


(Homo sapiens (Human))
BDBM50411734
PNG
(CHEMBL257727)
Show SMILES C[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C18H19NO3S/c1-12(23)17(20)19-16(18(21)22)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16,23H,11H2,1H3,(H,19,20)(H,21,22)/t12-,16-/m0/s1
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23n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


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


(Homo sapiens (Human))
BDBM50115848
PNG
((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
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24n/an/an/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against neutral endopeptidase


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


(Homo sapiens (Human))
BDBM50023127
PNG
(CHEMBL3298936)
Show SMILES OC[C@H](NC(=O)C(CS)Cc1ccsc1)C(O)=O
Show InChI InChI=1S/C11H15NO4S2/c13-4-9(11(15)16)12-10(14)8(5-17)3-7-1-2-18-6-7/h1-2,6,8-9,13,17H,3-5H2,(H,12,14)(H,15,16)/t8?,9-/m0/s1
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24n/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


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


(Homo sapiens (Human))
BDBM50411605
PNG
(CHEMBL252391)
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+/m1/s1
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27n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


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


(Homo sapiens (Human))
BDBM50411605
PNG
(CHEMBL252391)
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+/m1/s1
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27n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


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


(Homo sapiens (Human))
BDBM50411613
PNG
(CHEMBL400526)
Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S/c1-3-10(2)13(20)14(17)16-12(15(18)19)9-11-7-5-4-6-8-11/h4-8,10,12-13,20H,3,9H2,1-2H3,(H,16,17)(H,18,19)/t10-,12+,13+/m1/s1
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35n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


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


(Homo sapiens (Human))
BDBM50411599
PNG
(CHEMBL254495)
Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1cccc(OCc2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C22H27NO4S/c1-3-15(2)20(28)21(24)23-19(22(25)26)13-17-10-7-11-18(12-17)27-14-16-8-5-4-6-9-16/h4-12,15,19-20,28H,3,13-14H2,1-2H3,(H,23,24)(H,25,26)/t15-,19+,20+/m1/s1
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37n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


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


(Homo sapiens (Human))
BDBM50411737
PNG
(CHEMBL404117)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@@H](S)C1CCCC1
Show InChI InChI=1S/C22H25NO3S/c24-21(20(27)18-8-4-5-9-18)23-19(22(25)26)14-15-10-12-17(13-11-15)16-6-2-1-3-7-16/h1-3,6-7,10-13,18-20,27H,4-5,8-9,14H2,(H,23,24)(H,25,26)/t19-,20-/m0/s1
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38n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


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


(Homo sapiens (Human))
BDBM50023129
PNG
(CHEMBL3298938)
Show SMILES OC(=O)CNC(=O)C1(CS)CCCC1
Show InChI InChI=1S/C9H15NO3S/c11-7(12)5-10-8(13)9(6-14)3-1-2-4-9/h14H,1-6H2,(H,10,13)(H,11,12)
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44n/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


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


(Homo sapiens (Human))
BDBM50411607
PNG
(CHEMBL253428)
Show SMILES CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(O)=O
Show InChI InChI=1S/C19H23NO3S/c1-3-12(2)17(24)18(21)20-16(19(22)23)11-13-8-9-14-6-4-5-7-15(14)10-13/h4-10,12,16-17,24H,3,11H2,1-2H3,(H,20,21)(H,22,23)/t12-,16+,17+/m1/s1
PDB

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46n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
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