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Compile Data Set for Download or QSAR

Found 429 hits of ic50 data for polymerid = 6595   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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/a7.425



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 ...


Citation and Details
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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n/an/a 0.0400n/an/an/an/a7.425



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 ...


Citation and Details
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


J Med Chem 48: 6523-43 (2005)

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/a7.425



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...


Citation and Details
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/a7.425



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...


Citation and Details
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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n/an/a 0.200n/an/an/an/a7.425



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...


Citation and Details
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/a7.425



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...


Citation and Details
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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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Bioorg Med Chem Lett 21: 3404-6 (2011)

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


Bioorg Med Chem Lett 21: 3404-6 (2011)

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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n/an/a 0.300n/an/an/an/a7.425



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 ...


Citation and Details
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/a7.425



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...


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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n/an/a 0.360n/an/an/an/an/an/a



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 ...


Bioorg Med Chem 19: 5935-47 (2011)

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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n/an/a 0.510n/an/an/an/an/an/a



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 ...


Bioorg Med Chem 19: 5935-47 (2011)

More data for this
Ligand-Target Pair
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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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 4: 1789-1794 (1994)

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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n/an/a 0.600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Bioorg Med Chem Lett 21: 3404-6 (2011)

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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n/an/a 0.600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Bioorg Med Chem Lett 21: 3404-6 (2011)

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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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase 24.11(NEP)


Bioorg Med Chem Lett 7: 1059-1064 (1997)

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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n/an/a 0.690n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral Endopeptidase


Bioorg Med Chem Lett 6: 1487-1490 (1996)

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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n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase 24.11(NEP)


Bioorg Med Chem Lett 7: 1059-1064 (1997)

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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n/an/a 0.740n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase 24.11(NEP)


Bioorg Med Chem Lett 7: 1059-1064 (1997)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50400808
PNG
(CHEMBL2204326)
Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)[C@@H]1CCCCCC[C@@H](CS)C(=O)N1)C(O)=O
Show InChI InChI=1S/C16H26N2O5S/c19-11-7-13(16(22)23)18(8-11)15(21)12-6-4-2-1-3-5-10(9-24)14(20)17-12/h10-13,19,24H,1-9H2,(H,17,20)(H,22,23)/t10-,11+,12-,13-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Universite£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


J Med Chem 54: 1961-2004 (2011)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50064106
PNG
(CGS-26303 | CHEMBL290698 | {[(R)-2-Biphenyl-4-yl-1...)
Show SMILES OP(O)(=O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C16H18N5O3P/c22-25(23,24)11-17-15(16-18-20-21-19-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15,17H,10-11H2,(H2,22,23,24)(H,18,19,20,21)/t15-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase 24.11(NEP)


Bioorg Med Chem Lett 7: 1059-1064 (1997)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056252
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


J Med Chem 40: 495-505 (1997)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50056252
PNG
((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...)
Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@H](CS)C(=O)N1
Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit neutral endopeptidase (NEP)


J Med Chem 40: 506-14 (1997)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403250
PNG
(CHEMBL51780)
Show SMILES OC(=O)CN1c2ccccc2SC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H22N2O4S2/c24-19(25)11-23-17-8-4-5-9-18(17)29-13-16(21(23)27)22-20(26)15(12-28)10-14-6-2-1-3-7-14/h1-9,15-16,28H,10-13H2,(H,22,26)(H,24,25)/t15-,16+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 4: 1789-1794 (1994)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM153108
PNG
(US8993631, 16-5 | US9006249, Example 3-32)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cc(ncn1)C(O)=O)C(O)=O
Show InChI InChI=1/C24H23N3O5/c1-15(23(29)30)11-19(27-22(28)20-13-21(24(31)32)26-14-25-20)12-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,13-15,19H,11-12H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t15-,19+/s2
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n/an/a 1n/an/an/an/a7.425



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 ...


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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n/an/a 1n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of human NEP-mediated amyloid beta hydrolysis


Eur J Med Chem 79: 184-93 (2014)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50064106
PNG
(CGS-26303 | CHEMBL290698 | {[(R)-2-Biphenyl-4-yl-1...)
Show SMILES OP(O)(=O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C16H18N5O3P/c22-25(23,24)11-17-15(16-18-20-21-19-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15,17H,10-11H2,(H2,22,23,24)(H,18,19,20,21)/t15-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).


J Med Chem 41: 1513-23 (1998)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403253
PNG
(CHEMBL301751)
Show SMILES OC(=O)CCN1c2ccccc2OC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H22N2O5S/c24-19(25)10-11-23-16-8-4-5-9-17(16)28-13-15(21(23)27)22-20(26)18(29)12-14-6-2-1-3-7-14/h1-9,15,18,29H,10-13H2,(H,22,26)(H,24,25)/t15-,18-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 4: 1789-1794 (1994)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041071
PNG
((2-Mercaptomethyl-3-phenyl-butyrylamino)-acetic ac...)
Show SMILES CC(C(CS)C(=O)NCC(O)=O)c1ccccc1
Show InChI InChI=1S/C13H17NO3S/c1-9(10-5-3-2-4-6-10)11(8-18)13(17)14-7-12(15)16/h2-6,9,11,18H,7-8H2,1H3,(H,14,17)(H,15,16)
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n/an/a 1.30n/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


(Homo sapiens (Human))
BDBM50002022
PNG
((2-Benzyl-3-hydroxycarbamoyl-propionylamino)-aceti...)
Show SMILES ONC(=O)CC(Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C13H16N2O5/c16-11(15-20)7-10(13(19)14-8-12(17)18)6-9-4-2-1-3-5-9/h1-5,10,20H,6-8H2,(H,14,19)(H,15,16)(H,17,18)
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n/an/a 1.40n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against neutral endopeptidase


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


(Homo sapiens (Human))
BDBM50291557
PNG
(CHEMBL268761 | {1-[(S)-2-Biphenyl-4-yl-1-(1H-tetra...)
Show SMILES OP(O)(=O)C(Cc1cccc2cccnc12)N[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C26H25N6O3P/c33-36(34,35)24(17-22-9-4-8-21-10-5-15-27-25(21)22)28-23(26-29-31-32-30-26)16-18-11-13-20(14-12-18)19-6-2-1-3-7-19/h1-15,23-24,28H,16-17H2,(H2,33,34,35)(H,29,30,31,32)/t23-,24?/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase 24.11(NEP)


Bioorg Med Chem Lett 7: 1059-1064 (1997)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403257
PNG
(CHEMBL51438)
Show SMILES OC(=O)CCN1c2ccccc2CC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O
Show InChI InChI=1S/C23H26N2O4S/c26-21(27)12-13-25-20-9-5-4-8-17(20)10-11-19(23(25)29)24-22(28)18(15-30)14-16-6-2-1-3-7-16/h1-9,18-19,30H,10-15H2,(H,24,28)(H,26,27)/t18-,19+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 4: 1789-1794 (1994)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50344197
PNG
((S)-2-(1-((S)-1-carboxy-2-(3-phenyl-1,2,4-oxadiazo...)
Show SMILES COCC[C@H](NC1(CCCC1)C(=O)N[C@@H](Cc1nc(no1)-c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C22H28N4O7/c1-32-12-9-15(19(27)28)25-22(10-5-6-11-22)21(31)23-16(20(29)30)13-17-24-18(26-33-17)14-7-3-2-4-8-14/h2-4,7-8,15-16,25H,5-6,9-13H2,1H3,(H,23,31)(H,27,28)(H,29,30)/t15-,16-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


Bioorg Med Chem Lett 21: 3404-6 (2011)

More data for this
Ligand-Target Pair
Neprilysin


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



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of NEP


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

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50283642
PNG
((S)-3-Biphenyl-4-yl-2-{(S)-3-methyl-2-[((R)-phosph...)
Show SMILES CC[C@@H](C)[C@H](NCP(O)(O)=O)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C22H29N2O6P/c1-3-15(2)20(23-14-31(28,29)30)21(25)24-19(22(26)27)13-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h4-12,15,19-20,23H,3,13-14H2,1-2H3,(H,24,25)(H,26,27)(H2,28,29,30)/t15-,19+,20+/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against neutral endopeptidase


Bioorg Med Chem Lett 4: 2715-2720 (1994)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041067
PNG
(2-[3-(4-Fluoro-phenyl)-2-mercaptomethyl-butyrylami...)
Show SMILES CC(NC(=O)C(CS)C(C)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C14H18FNO3S/c1-8(10-3-5-11(15)6-4-10)12(7-20)13(17)16-9(2)14(18)19/h3-6,8-9,12,20H,7H2,1-2H3,(H,16,17)(H,18,19)
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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


(Homo sapiens (Human))
BDBM50041058
PNG
(2-(3-Benzo[1,3]dioxol-5-yl-2-mercaptomethyl-butyry...)
Show SMILES CC(NC(=O)C(CS)C(C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C15H19NO5S/c1-8(10-3-4-12-13(5-10)21-7-20-12)11(6-22)14(17)16-9(2)15(18)19/h3-5,8-9,11,22H,6-7H2,1-2H3,(H,16,17)(H,18,19)
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n/an/a 2n/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


(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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n/an/a 2n/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


(Homo sapiens (Human))
BDBM50041069
PNG
(3-(4-Hydroxy-phenyl)-2-(2-mercaptomethyl-3-phenyl-...)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C19H21NO4S/c21-16-8-6-14(7-9-16)11-17(19(23)24)20-18(22)15(12-25)10-13-4-2-1-3-5-13/h1-9,15,17,21,25H,10-12H2,(H,20,22)(H,23,24)
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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


(Homo sapiens (Human))
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 2n/an/an/an/an/an/a



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 ...


Bioorg Med Chem 19: 5935-47 (2011)

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


(Homo sapiens (Human))
BDBM50403261
PNG
(CHEMBL51498)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O
Show InChI InChI=1S/C22H24N2O4S/c25-20(26)13-24-19-9-5-4-8-16(19)10-11-18(22(24)28)23-21(27)17(14-29)12-15-6-2-1-3-7-15/h1-9,17-18,29H,10-14H2,(H,23,27)(H,25,26)/t17-,18+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 4: 1789-1794 (1994)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403251
PNG
(CHEMBL299441)
Show SMILES OC(=O)CCN1c2ccccc2SC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H22N2O4S2/c24-19(25)10-11-23-16-8-4-5-9-18(16)29-13-15(21(23)27)22-20(26)17(28)12-14-6-2-1-3-7-14/h1-9,15,17,28H,10-13H2,(H,22,26)(H,24,25)/t15-,17-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 4: 1789-1794 (1994)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
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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n/an/a 2.30n/an/an/an/a7.0n/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human kidney NEP at pH 7


Bioorg Med Chem 15: 142-59 (2006)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041070
PNG
(3-(4-Hydroxy-phenyl)-2-(2-mercaptomethyl-3-phenyl-...)
Show SMILES CCC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C21H25NO4S/c1-2-17(15-6-4-3-5-7-15)18(13-27)20(24)22-19(21(25)26)12-14-8-10-16(23)11-9-14/h3-11,17-19,23,27H,2,12-13H2,1H3,(H,22,24)(H,25,26)
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n/an/a 2.40n/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


(Homo sapiens (Human))
BDBM138393
PNG
(US8877786, Example 3-7 | US8993631, 32-4)
Show SMILES C[C@H](N[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)Nc1cc(O)no1)C(O)=O
Show InChI InChI=1/C21H20ClN3O5/c1-12(21(28)29)23-17(20(27)24-19-11-18(26)25-30-19)9-13-5-7-14(8-6-13)15-3-2-4-16(22)10-15/h2-8,10-12,17,23H,9H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t12-,17-/s2
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n/an/a 2.40n/an/an/an/a7.425



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...


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


(Homo sapiens (Human))
BDBM50403258
PNG
(CHEMBL301364)
Show SMILES OC(=O)CCN1c2ccccc2CC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C22H24N2O4S/c25-20(26)12-13-24-18-9-5-4-8-16(18)10-11-17(22(24)28)23-21(27)19(29)14-15-6-2-1-3-7-15/h1-9,17,19,29H,10-14H2,(H,23,27)(H,25,26)/t17-,19-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 4: 1789-1794 (1994)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50291556
PNG
(CHEMBL273489 | {2-Benzo[1,3]dioxol-5-yl-1-[(R)-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?/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase 24.11(NEP)


Bioorg Med Chem Lett 7: 1059-1064 (1997)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041054
PNG
(3-(4-Hydroxy-phenyl)-2-(2-mercaptomethyl-3-phenyl-...)
Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C20H23NO4S/c1-13(15-5-3-2-4-6-15)17(12-26)19(23)21-18(20(24)25)11-14-7-9-16(22)10-8-14/h2-10,13,17-18,22,26H,11-12H2,1H3,(H,21,23)(H,24,25)
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n/an/a 2.5n/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


(Homo sapiens (Human))
BDBM50056251
PNG
((6R,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...)
Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@@H](CS)C(=O)N1
Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Universite£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase


J Med Chem 54: 1961-2004 (2011)

More data for this
Ligand-Target Pair
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