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Compile Data Set for Download or QSAR

Found 1085 hits Enz. Inhib. hit(s) with Target = 'Neutral endopeptidase (NEP)'   
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))
BDBM155343
PNG
(US9006249, Example 49-2)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(n[nH]1)C(O)=O)C(O)=O
Show InChI InChI=1/C23H22ClN3O5/c1-13(22(29)30)9-18(25-21(28)19-12-20(23(31)32)27-26-19)10-14-5-7-15(8-6-14)16-3-2-4-17(24)11-16/h2-8,11-13,18H,9-10H2,1H3,(H,25,28)(H,26,27)(H,29,30)(H,31,32)/t13-,18+/s2
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n/an/a 0.0300n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...


US Patent US9006249 (2015)

More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM153119
PNG
(BDBM153120 | US8993631, 29)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(O)no1)C(O)=O
Show InChI InChI=1S/C22H21ClN2O5/c1-13(22(28)29)9-18(24-21(27)19-12-20(26)25-30-19)10-14-5-7-15(8-6-14)16-3-2-4-17(23)11-16/h2-8,11-13,18H,9-10H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t13-,18+/m1/s1
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n/an/a 0.0300n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8993631 (2015)

More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM153119
PNG
(BDBM153120 | US8993631, 29)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(O)no1)C(O)=O
Show InChI InChI=1S/C22H21ClN2O5/c1-13(22(28)29)9-18(24-21(27)19-12-20(26)25-30-19)10-14-5-7-15(8-6-14)16-3-2-4-17(23)11-16/h2-8,11-13,18H,9-10H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t13-,18+/m1/s1
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n/an/a 0.0400n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8993631 (2015)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM153121
PNG
(US8993631, 29-2 | US9006249, Example 49-1)
Show SMILES C[C@@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(O)no1)C(O)=O
Show InChI InChI=1S/C22H21ClN2O5/c1-13(22(28)29)9-18(24-21(27)19-12-20(26)25-30-19)10-14-5-7-15(8-6-14)16-3-2-4-17(23)11-16/h2-8,11-13,18H,9-10H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t13-,18-/m0/s1
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Novartis AG

US Patent


Assay Description
See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...


US Patent US9006249 (2015)

More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM153105
PNG
(US8993631, 9-5)
Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)C(\O)=C\C(O)=N
Show InChI InChI=1/C20H19ClN2O5/c21-15-3-1-2-14(9-15)13-6-4-12(5-7-13)8-16(10-19(26)27)23-20(28)17(24)11-18(22)25/h1-7,9,11,16,24H,8,10H2,(H2,22,25)(H,23,28)(H,26,27)/b17-11-/t16-/s2
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n/an/a 0.0700n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8993631 (2015)

More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM130367
PNG
(US8822534, Example 11-14)
Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(O)no1
Show InChI InChI=1S/C20H17ClN2O5/c21-15-3-1-2-14(9-15)13-6-4-12(5-7-13)8-16(10-19(25)26)22-20(27)17-11-18(24)23-28-17/h1-7,9,11,16H,8,10H2,(H,22,27)(H,23,24)(H,25,26)/t16-/m1/s1
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n/an/a 0.0700n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50175518
PNG
((3R,7S)-7-((R)-2-Mercapto-3-phenyl-propionylamino)...)
Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)[C@H](Cc1ccccc21)NC(=O)[C@H](S)Cc1ccccc1
Show InChI InChI=1S/C24H26N2O4S/c27-22(21(31)13-15-7-2-1-3-8-15)25-18-14-16-9-4-5-10-17(16)19-11-6-12-20(24(29)30)26(19)23(18)28/h1-5,7-10,18-21,31H,6,11-14H2,(H,25,27)(H,29,30)/t18-,19?,20+,21+/m0/s1
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n/an/a 0.0800n/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
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM153122
PNG
(US8993631, 32-1)
Show SMILES C[C@H](N[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)Nc1nnn[nH]1)C(O)=O
Show InChI InChI=1S/C19H19ClN6O3/c1-11(18(28)29)21-16(17(27)22-19-23-25-26-24-19)9-12-5-7-13(8-6-12)14-3-2-4-15(20)10-14/h2-8,10-11,16,21H,9H2,1H3,(H,28,29)(H2,22,23,24,25,26,27)/t11-,16-/m0/s1
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n/an/a 0.0900n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8993631 (2015)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM138390
PNG
(US8877786, Example 3-1)
Show SMILES CCOC(=O)[C@H](C)N[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)Nc1nnn[nH]1
Show InChI InChI=1/C21H23ClN6O3/c1-3-31-20(30)13(2)23-18(19(29)24-21-25-27-28-26-21)11-14-7-9-15(10-8-14)16-5-4-6-17(22)12-16/h4-10,12-13,18,23H,3,11H2,1-2H3,(H2,24,25,26,27,28,29)/t13-,18-/s2
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n/an/a 0.0900n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopept...


US Patent US8877786 (2014)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM186570
PNG
(US9163040, 2)
Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)CCP(O)(O)=O
Show InChI InChI=1S/C19H20ClFNO6P/c20-14-5-6-17(21)16(10-14)13-3-1-12(2-4-13)9-15(11-19(24)25)22-18(23)7-8-29(26,27)28/h1-6,10,15H,7-9,11H2,(H,22,23)(H,24,25)(H2,26,27,28)/t15-/m1/s1
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n/an/a 0.110n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 pM) is pre-incubated wi...


US Patent US9163040 (2015)

More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM153126
PNG
(US8993631, 32-6)
Show SMILES OC(=O)[C@H](CCc1ccccc1)N[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)Nc1nnn[nH]1
Show InChI InChI=1S/C26H25ClN6O3/c27-21-8-4-7-20(16-21)19-12-9-18(10-13-19)15-23(24(34)29-26-30-32-33-31-26)28-22(25(35)36)14-11-17-5-2-1-3-6-17/h1-10,12-13,16,22-23,28H,11,14-15H2,(H,35,36)(H2,29,30,31,32,33,34)/t22-,23-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8993631 (2015)

More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM153111
PNG
(US8993631, 10-1)
Show SMILES OC(=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C20H19Cl2NO5/c21-14-5-6-17(22)16(10-14)13-3-1-12(2-4-13)9-15(11-20(27)28)23-18(24)7-8-19(25)26/h1-6,10,15H,7-9,11H2,(H,23,24)(H,25,26)(H,27,28)/t15-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8993631 (2015)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM138396
PNG
(US8877786, Example 3-13)
Show SMILES CC[C@H](N[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)NC1=NNNN1)C(O)=O
Show InChI InChI=1/C20H23ClN6O3/c1-2-16(19(29)30)22-17(18(28)23-20-24-26-27-25-20)10-12-6-8-13(9-7-12)14-4-3-5-15(21)11-14/h3-9,11,16-17,22,26-27H,2,10H2,1H3,(H,29,30)(H2,23,24,25,28)/t16-,17-/s2
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n/an/a 0.200n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopept...


US Patent US8877786 (2014)

More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM153127
PNG
(US8993631, 32-7)
Show SMILES CC[C@H](N[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)Nc1nnn[nH]1)C(O)=O
Show InChI InChI=1S/C20H21ClN6O3/c1-2-16(19(29)30)22-17(18(28)23-20-24-26-27-25-20)10-12-6-8-13(9-7-12)14-4-3-5-15(21)11-14/h3-9,11,16-17,22H,2,10H2,1H3,(H,29,30)(H2,23,24,25,26,27,28)/t16-,17-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8993631 (2015)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM138395
PNG
(US8877786, Example 3-12)
Show SMILES OC(=O)[C@H](CCc1ccccc1)N[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)NC1=NNNN1
Show InChI InChI=1/C26H27ClN6O3/c27-21-8-4-7-20(16-21)19-12-9-18(10-13-19)15-23(24(34)29-26-30-32-33-31-26)28-22(25(35)36)14-11-17-5-2-1-3-6-17/h1-10,12-13,16,22-23,28,32-33H,11,14-15H2,(H,35,36)(H2,29,30,31,34)/t22-,23-/s2
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Novartis AG

US Patent


Assay Description
The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopept...


US Patent US8877786 (2014)

More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM130365
PNG
(US8822534, Example 11-1 | US8822534, Example 12-1 ...)
Show SMILES OC(=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClNO5/c21-16-3-1-2-15(11-16)14-6-4-13(5-7-14)10-17(12-20(26)27)22-18(23)8-9-19(24)25/h1-7,11,17H,8-10,12H2,(H,22,23)(H,24,25)(H,26,27)/t17-/m1/s1
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Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)

More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50008612
PNG
(CHEMBL154588 | Sodium; 3-(2-mercaptomethyl-3-pheny...)
Show SMILES [O-]S(=O)(=O)c1cccc(NC(=O)C(CS)Cc2ccccc2)c1
Show InChI InChI=1S/C16H17NO4S2/c18-16(13(11-22)9-12-5-2-1-3-6-12)17-14-7-4-8-15(10-14)23(19,20)21/h1-8,10,13,22H,9,11H2,(H,17,18)(H,19,20,21)/p-1
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n/an/a 0.270n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against enkephalinase enzyme from rat.


J Med Chem 35: 602-8 (1992)

More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM153121
PNG
(US8993631, 29-2 | US9006249, Example 49-1)
Show SMILES C[C@@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(O)no1)C(O)=O
Show InChI InChI=1S/C22H21ClN2O5/c1-13(22(28)29)9-18(24-21(27)19-12-20(26)25-30-19)10-14-5-7-15(8-6-14)16-3-2-4-17(23)11-16/h2-8,11-13,18H,9-10H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t13-,18-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8993631 (2015)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM155344
PNG
(US9006249, Example 49-3)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1ccc(o1)C(O)=O)C(O)=O
Show InChI InChI=1/C24H22ClNO6/c1-14(23(28)29)11-19(26-22(27)20-9-10-21(32-20)24(30)31)12-15-5-7-16(8-6-15)17-3-2-4-18(25)13-17/h2-10,13-14,19H,11-12H2,1H3,(H,26,27)(H,28,29)(H,30,31)/t14-,19+/s2
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Novartis AG

US Patent


Assay Description
See A fluorescence lifetime-based assay for protease inhibitor profiling on human kallikrein 7 Doering K, Meder G, Hinnenberger M, Woelcke J, Mayr L ...


US Patent US9006249 (2015)

More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM153123
PNG
(US8993631, 32-2)
Show SMILES C[C@H](N[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1Cl)C(=O)Nc1nnn[nH]1)C(O)=O
Show InChI InChI=1S/C19H18Cl2N6O3/c1-10(18(29)30)22-16(17(28)23-19-24-26-27-25-19)8-11-2-4-12(5-3-11)14-9-13(20)6-7-15(14)21/h2-7,9-10,16,22H,8H2,1H3,(H,29,30)(H2,23,24,25,26,27,28)/t10-,16-/m0/s1
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Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8993631 (2015)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50344195
PNG
((S)-2-(1-((S)-1-carboxy-2-(5-(4-chlorophenyl)oxazo...)
Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1ncc(o1)-c1ccc(Cl)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H28ClN3O7/c1-33-11-8-16(20(28)29)27-23(9-2-3-10-23)22(32)26-17(21(30)31)12-19-25-13-18(34-19)14-4-6-15(24)7-5-14/h4-7,13,16-17,27H,2-3,8-12H2,1H3,(H,26,32)(H,28,29)(H,30,31)/t16-,17-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM153128
PNG
(US8993631, 36)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H24ClNO5/c1-14(22(28)29)11-19(24-20(25)9-10-21(26)27)12-15-5-7-16(8-6-15)17-3-2-4-18(23)13-17/h2-8,13-14,19H,9-12H2,1H3,(H,24,25)(H,26,27)(H,28,29)/t14-,19+/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8993631 (2015)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM138391
PNG
(US8877786, Example 3-2)
Show SMILES C[C@H](N[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1Cl)C(=O)Nc1nnn[nH]1)C(=O)OC(C)(C)C
Show InChI InChI=1/C23H26Cl2N6O3/c1-13(21(33)34-23(2,3)4)26-19(20(32)27-22-28-30-31-29-22)11-14-5-7-15(8-6-14)17-12-16(24)9-10-18(17)25/h5-10,12-13,19,26H,11H2,1-4H3,(H2,27,28,29,30,31,32)/t13-,19-/s2
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n/an/a 0.300n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The in vitro inhibition of recombinant human neutral endopeptidase (NEP, EC 3.424.11) can be determined as follows:Recombinant human neutral endopept...


US Patent US8877786 (2014)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50344193
PNG
((S)-2-(1-((S)-1-carboxy-2-(5-phenyloxazol-2-yl)eth...)
Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1ncc(o1)-c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H29N3O7/c1-32-12-9-16(20(27)28)26-23(10-5-6-11-23)22(31)25-17(21(29)30)13-19-24-14-18(33-19)15-7-3-2-4-8-15/h2-4,7-8,14,16-17,26H,5-6,9-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


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


(Homo sapiens (Human))
BDBM50354041
PNG
(CHEMBL1829584)
Show SMILES OC(=O)CCNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H30N2O5/c31-26(32)17-18-29-27(33)25(30-24(28(34)35)16-13-20-7-3-1-4-8-20)19-21-11-14-23(15-12-21)22-9-5-2-6-10-22/h1-12,14-15,24-25,30H,13,16-19H2,(H,29,33)(H,31,32)(H,34,35)/t24-,25-/m0/s1
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Kao Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...


Citation and Details
More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM153106
PNG
(US8993631, 9-7)
Show SMILES CCc1ncc(o1)C(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)-c1cc(Cl)ccc1F
Show InChI InChI=1/C22H20ClFN2O4/c1-2-20-25-12-19(30-20)22(29)26-16(11-21(27)28)9-13-3-5-14(6-4-13)17-10-15(23)7-8-18(17)24/h3-8,10,12,16H,2,9,11H2,1H3,(H,26,29)(H,27,28)/t16-/s2
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n/an/a 0.400n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8993631 (2015)

More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50024094
PNG
((R,S) 2-(2-Mercaptomethyl-3-phenyl-propionylamino)...)
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+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of activity of rat kidney enkephalinase


J Med Chem 29: 751-7 (1986)

More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
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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TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of activity of rat kidney enkephalinase


J Med Chem 29: 751-7 (1986)

More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM130366
PNG
(US8822534, Example 11-11 | US8993631, 9-6)
Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)C(F)(F)C(F)(F)C(O)=O
Show InChI InChI=1S/C20H16ClF4NO5/c21-14-3-1-2-13(9-14)12-6-4-11(5-7-12)8-15(10-16(27)28)26-17(29)19(22,23)20(24,25)18(30)31/h1-7,9,15H,8,10H2,(H,26,29)(H,27,28)(H,30,31)/t15-/m1/s1
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Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8993631 (2015)

More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM130360
PNG
(US8822534, Example 5-46 | US8993631, 5-9)
Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1n[nH]c(=O)o1
Show InChI InChI=1S/C19H16ClN3O5/c20-14-3-1-2-13(9-14)12-6-4-11(5-7-12)8-15(10-16(24)25)21-17(26)18-22-23-19(27)28-18/h1-7,9,15H,8,10H2,(H,21,26)(H,23,27)(H,24,25)/t15-/m1/s1
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Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8993631 (2015)

More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM130366
PNG
(US8822534, Example 11-11 | US8993631, 9-6)
Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)C(F)(F)C(F)(F)C(O)=O
Show InChI InChI=1S/C20H16ClF4NO5/c21-14-3-1-2-13(9-14)12-6-4-11(5-7-12)8-15(10-16(27)28)26-17(29)19(22,23)20(24,25)18(30)31/h1-7,9,15H,8,10H2,(H,26,29)(H,27,28)(H,30,31)/t15-/m1/s1
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Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)

More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM130360
PNG
(US8822534, Example 5-46 | US8993631, 5-9)
Show SMILES OC(=O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1n[nH]c(=O)o1
Show InChI InChI=1S/C19H16ClN3O5/c20-14-3-1-2-13(9-14)12-6-4-11(5-7-12)8-15(10-16(24)25)21-17(26)18-22-23-19(27)28-18/h1-7,9,15H,8,10H2,(H,21,26)(H,23,27)(H,24,25)/t15-/m1/s1
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Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50354042
PNG
(CHEMBL1829585)
Show SMILES C[C@@H](CNC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)N[C@@H](CCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H32N2O5/c1-20(28(33)34)19-30-27(32)26(31-25(29(35)36)17-14-21-8-4-2-5-9-21)18-22-12-15-24(16-13-22)23-10-6-3-7-11-23/h2-13,15-16,20,25-26,31H,14,17-19H2,1H3,(H,30,32)(H,33,34)(H,35,36)/t20-,25-,26-/m0/s1
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Kao Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human fibroblasts homogenates using glutaryl-Ala-Ala-Phe-4-methoxy-2-naphtylamide as substrate after 1 hrs by ...


Citation and Details
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50024100
PNG
((R,S) N-(1-Mercaptomethyl-2-phenyl-ethyl)-2-methyl...)
Show SMILES C[C@@H](C(O)=O)C(=O)N[C@H](CS)Cc1ccccc1
Show InChI InChI=1S/C13H17NO3S/c1-9(13(16)17)12(15)14-11(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+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of activity of rat kidney enkephalinase


J Med Chem 29: 751-7 (1986)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50344191
PNG
((S)-2-(1-((S)-1-carboxy-2-(5-phenyloxazol-2-yl)eth...)
Show SMILES CCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1ncc(o1)-c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H29N3O6/c1-2-8-16(20(27)28)26-23(11-6-7-12-23)22(31)25-17(21(29)30)13-19-24-14-18(32-19)15-9-4-3-5-10-15/h3-5,9-10,14,16-17,26H,2,6-8,11-13H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,17-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


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


(Homo sapiens (Human))
BDBM50085452
PNG
((S)-2-[((S)-6-Amino-2-methanesulfonylamino-hexanoy...)
Show SMILES CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H40N4O9S/c1-40(38,39)30-20(6-2-5-13-27)22(32)28-16-18(23(33)34)15-26(11-3-4-12-26)25(37)29-21(24(35)36)14-17-7-9-19(31)10-8-17/h7-10,18,20-21,30-31H,2-6,11-16,27H2,1H3,(H,28,32)(H,29,37)(H,33,34)(H,35,36)/t18-,20-,21-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50197517
PNG
((S)-2-{1-[3-(4-chloro-phenyl)-propylcarbamoyl]-cyc...)
Show SMILES COCC[C@H](CC1(CCCC1)C(=O)NCCCc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C21H30ClNO4/c1-27-14-10-17(19(24)25)15-21(11-2-3-12-21)20(26)23-13-4-5-16-6-8-18(22)9-7-16/h6-9,17H,2-5,10-15H2,1H3,(H,23,26)(H,24,25)/t17-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat NEP


Citation and Details
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50251742
PNG
((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibition of enkephalinase activity in synaptic membranes prepared from rat striatum


J Med Chem 32: 2519-26 (1989)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Homo sapiens (Human))
BDBM50403254
PNG
(CHEMBL51389)
Show SMILES OC(=O)CN1c2ccccc2OC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H22N2O5S/c24-19(25)11-23-17-8-4-5-9-18(17)28-12-16(21(23)27)22-20(26)15(13-29)10-14-6-2-1-3-7-14/h1-9,15-16,29H,10-13H2,(H,22,26)(H,24,25)/t15-,16+/m1/s1
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TBA

Assay Description
Tested in vitro for inhibition of neutral endopeptidase (NEP)


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


(Homo sapiens (Human))
BDBM50291559
PNG
(CHEMBL268473 | {2-Benzo[1,3]dioxol-5-yl-1-[(S)-2-b...)
Show SMILES OP(O)(=O)C(Cc1ccc2OCOc2c1)N[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C24H24N5O5P/c30-35(31,32)23(14-17-8-11-21-22(13-17)34-15-33-21)25-20(24-26-28-29-27-24)12-16-6-9-19(10-7-16)18-4-2-1-3-5-18/h1-11,13,20,23,25H,12,14-15H2,(H2,30,31,32)(H,26,27,28,29)/t20-,23?/m0/s1
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TBA

Assay Description
Inhibition of neutral endopeptidase 24.11(NEP)


Citation and Details
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50024097
PNG
((R,R) N-(1-Mercaptomethyl-2-phenyl-ethyl)-2-methyl...)
Show SMILES C[C@H](C(O)=O)C(=O)N[C@H](CS)Cc1ccccc1
Show InChI InChI=1S/C13H17NO3S/c1-9(13(16)17)12(15)14-11(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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n/an/a 0.650n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of activity of rat kidney enkephalinase


J Med Chem 29: 751-7 (1986)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50287299
PNG
((2S,4S)-5-Biphenyl-4-yl-4-(4-carboxymethyl-thiazol...)
Show SMILES OC(=O)Cc1csc(NC(=O)[C@@H](C[C@@H](COc2ccccc2)C(O)=O)Cc2ccc(cc2)-c2ccccc2)n1
Show InChI InChI=1S/C30H28N2O6S/c33-27(34)17-25-19-39-30(31-25)32-28(35)23(16-24(29(36)37)18-38-26-9-5-2-6-10-26)15-20-11-13-22(14-12-20)21-7-3-1-4-8-21/h1-14,19,23-24H,15-18H2,(H,33,34)(H,36,37)(H,31,32,35)/t23-,24+/m1/s1
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TBA

Assay Description
In vitro inhibition of Neutral Endopeptidase


Citation and Details
More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM130359
PNG
(US8822534, Example 5-39 | US8993631, 5-8)
Show SMILES COc1ccc(Cl)cc1-c1ccc(C[C@H](CC(O)=O)NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C21H22ClNO6/c1-29-18-7-6-15(22)11-17(18)14-4-2-13(3-5-14)10-16(12-21(27)28)23-19(24)8-9-20(25)26/h2-7,11,16H,8-10,12H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t16-/m1/s1
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US Patent
n/an/a 0.700n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8993631 (2015)

More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50034841
PNG
((S)-5-Biphenyl-4-yl-4-(2-carboxy-ethylcarbamoyl)-p...)
Show SMILES OC(=O)CCNC(=O)[C@@H](CCC(O)=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H23NO5/c23-19(24)11-10-18(21(27)22-13-12-20(25)26)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,22,27)(H,23,24)(H,25,26)/t18-/m0/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of Neutral endopeptidase by using Leu enkephalin as substrate


J Med Chem 38: 1689-700 (1995)

More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM130362
PNG
(US8822534, Example 5-55 | US8993631, 5-11)
Show SMILES COc1ccc(F)cc1-c1ccc(C[C@H](CC(O)=O)NC(=O)c2cc(O)no2)cc1
Show InChI InChI=1S/C21H19FN2O6/c1-29-17-7-6-14(22)9-16(17)13-4-2-12(3-5-13)8-15(10-20(26)27)23-21(28)18-11-19(25)24-30-18/h2-7,9,11,15H,8,10H2,1H3,(H,23,28)(H,24,25)(H,26,27)/t15-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)

More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM130362
PNG
(US8822534, Example 5-55 | US8993631, 5-11)
Show SMILES COc1ccc(F)cc1-c1ccc(C[C@H](CC(O)=O)NC(=O)c2cc(O)no2)cc1
Show InChI InChI=1S/C21H19FN2O6/c1-29-17-7-6-14(22)9-16(17)13-4-2-12(3-5-13)8-15(10-20(26)27)23-21(28)18-11-19(25)24-30-18/h2-7,9,11,15H,8,10H2,1H3,(H,23,28)(H,24,25)(H,26,27)/t15-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8993631 (2015)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50291555
PNG
(CHEMBL276690 | {2-Benzo[1,3]dioxol-4-yl-1-[(S)-2-b...)
Show SMILES OP(O)(=O)C(Cc1cccc2OCOc12)N[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C24H24N5O5P/c30-35(31,32)22(14-19-7-4-8-21-23(19)34-15-33-21)25-20(24-26-28-29-27-24)13-16-9-11-18(12-10-16)17-5-2-1-3-6-17/h1-12,20,22,25H,13-15H2,(H2,30,31,32)(H,26,27,28,29)/t20-,22?/m0/s1
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TBA

Assay Description
Inhibition of neutral endopeptidase 24.11(NEP)


Citation and Details
More data for this
Ligand-Target Pair
Neutral endopeptidase (NEP)


(Homo sapiens (Human))
BDBM130359
PNG
(US8822534, Example 5-39 | US8993631, 5-8)
Show SMILES COc1ccc(Cl)cc1-c1ccc(C[C@H](CC(O)=O)NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C21H22ClNO6/c1-29-18-7-6-15(22)11-17(18)14-4-2-13(3-5-14)10-16(12-21(27)28)23-19(24)8-9-20(25)26/h2-7,11,16H,8-10,12H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t16-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Recombinant human neutral endopeptidase (expressed in insect cells and purified using standard methods, final concentration 7 μM) is pre-incubat...


US Patent US8822534 (2014)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50291558
PNG
(CHEMBL276872 | {1-[(S)-2-Biphenyl-4-yl-1-(1H-tetra...)
Show SMILES OP(O)(=O)C(Cc1ccccc1)N[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C23H24N5O3P/c29-32(30,31)22(16-17-7-3-1-4-8-17)24-21(23-25-27-28-26-23)15-18-11-13-20(14-12-18)19-9-5-2-6-10-19/h1-14,21-22,24H,15-16H2,(H2,29,30,31)(H,25,26,27,28)/t21-,22?/m0/s1
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TBA

Assay Description
Inhibition of neutral endopeptidase 24.11(NEP)


Citation and Details
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50034846
PNG
((2R,4R)-5-Biphenyl-4-yl-4-(3-carboxy-propionylamin...)
Show SMILES C[C@H](C[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19-/m1/s1
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CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of Neutral endopeptidase by using Leu enkephalin as substrate


J Med Chem 38: 1689-700 (1995)

More data for this
Ligand-Target Pair
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