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Patent code US9603819

Compile Data Set for Download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neprilysin


(Homo sapiens (Human))
BDBM155343
PNG
(US9006249, Example 49-2 | US9603819, 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=1S/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+/m1/s1
PDB

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US Patent
n/an/a 0.0300n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...


US Patent US9603819 (2017)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM309469
PNG
((2R,4S)-5-(3′-Chloro-biphenyl-4-yl)-4-[(3-hy...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)C(\O)=C\C(O)=N)C(O)=O
Show InChI InChI=1S/C22H23ClN2O5/c1-13(22(29)30)9-18(25-21(28)19(26)12-20(24)27)10-14-5-7-15(8-6-14)16-3-2-4-17(23)11-16/h2-8,11-13,18,26H,9-10H2,1H3,(H2,24,27)(H,25,28)(H,29,30)/b19-12-/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
The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...


US Patent US9603819 (2017)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM155344
PNG
(US9006249, Example 49-3 | US9603819, 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=1S/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+/m1/s1
PDB

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US Patent
n/an/a 0.300n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...


US Patent US9603819 (2017)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM153108
PNG
(US8993631, 16-5 | US9006249, Example 3-32 | US9603...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cc(ncn1)C(O)=O)C(O)=O
Show InChI InChI=1S/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+/m1/s1
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US Patent
n/an/a 1n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...


US Patent US9603819 (2017)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM309463
PNG
(US9603819, Example 3-60)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)C1CNC(=N1)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H25N3O5/c1-14(22(28)29)11-18(25-21(27)19-13-24-20(26-19)23(30)31)12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14,18-19H,11-13H2,1H3,(H,24,26)(H,25,27)(H,28,29)(H,30,31)/t14-,18+,19?/m1/s1
PDB

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n/an/a 7.30n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...


US Patent US9603819 (2017)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM309468
PNG
(Synthesis of (2R,4S)-5-biphenyl-4-yl-2-methyl-4-[(...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1nnnn1Cc1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C34H33N5O3/c1-25(34(41)42-24-28-13-7-3-8-14-28)21-31(22-26-17-19-30(20-18-26)29-15-9-4-10-16-29)35-33(40)32-36-37-38-39(32)23-27-11-5-2-6-12-27/h2-20,25,31H,21-24H2,1H3,(H,35,40)/t25-,31+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...


US Patent US9603819 (2017)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM153116
PNG
(US8993631, 19 | US9006249, Example 7-1 | US9603819...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H24N2O5/c1-14(20(26)27)11-18(23-21(28)22-13-19(24)25)12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3,(H,24,25)(H,26,27)(H2,22,23,28)/t14-,18+/m1/s1
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n/an/a 93n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...


US Patent US9603819 (2017)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM153117
PNG
(US8993631, 20 | US9006249, Example 9-1 | US9603819...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)n1ccc(n1)C(O)=O)C(O)=O
Show InChI InChI=1S/C23H23N3O5/c1-15(21(27)28)13-19(24-23(31)26-12-11-20(25-26)22(29)30)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-12,15,19H,13-14H2,1H3,(H,24,31)(H,27,28)(H,29,30)/t15-,19+/m1/s1
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n/an/a 142n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...


US Patent US9603819 (2017)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM153107
PNG
(US8993631, 16-3 | US9006249, Example 3-6 | US96038...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCc1ccc2nc(C)sc2c1)C(O)=O
Show InChI InChI=1S/C30H32N2O3S/c1-20(30(34)35)17-26(18-23-11-14-25(15-12-23)24-8-4-3-5-9-24)32-29(33)10-6-7-22-13-16-27-28(19-22)36-21(2)31-27/h3-5,8-9,11-16,19-20,26H,6-7,10,17-18H2,1-2H3,(H,32,33)(H,34,35)/t20-,26+/m1/s1
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n/an/a 250n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...


US Patent US9603819 (2017)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM153113
PNG
(US8993631, 15-1 | US9006249, Example 2-1 | US96038...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CC(C)(C)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H29NO5/c1-16(22(27)28)13-20(25-21(26)15-24(2,3)23(29)30)14-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,16,20H,13-15H2,1-3H3,(H,25,26)(H,27,28)(H,29,30)/t16-,20+/m1/s1
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US Patent
n/an/a 267n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...


US Patent US9603819 (2017)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM153112
PNG
(US8993631, 14-1 | US9006249, Example 1-1 | US96038...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cccc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C26H25NO5/c1-17(25(29)30)14-23(27-24(28)21-8-5-9-22(16-21)26(31)32)15-18-10-12-20(13-11-18)19-6-3-2-4-7-19/h2-13,16-17,23H,14-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t17-,23+/m1/s1
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n/an/a 283n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...


US Patent US9603819 (2017)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM153114
PNG
(US8993631, 17 | US9006249, Example 5-1 | US9603819...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cc(=O)cc(o1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H23NO7/c1-15(24(29)30)11-19(26-23(28)21-13-20(27)14-22(33-21)25(31)32)12-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,13-15,19H,11-12H2,1H3,(H,26,28)(H,29,30)(H,31,32)/t15-,19+/m1/s1
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n/an/a 350n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...


US Patent US9603819 (2017)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM153115
PNG
(US8993631, 18-1 | US9006249, Example 6-1 | US96038...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)N1CCC[C@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C24H28N2O5/c1-16(22(27)28)14-20(25-24(31)26-13-5-8-21(26)23(29)30)15-17-9-11-19(12-10-17)18-6-3-2-4-7-18/h2-4,6-7,9-12,16,20-21H,5,8,13-15H2,1H3,(H,25,31)(H,27,28)(H,29,30)/t16-,20+,21+/m1/s1
PDB

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n/an/a 450n/an/an/an/an/an/a



NOVARTIS AG

US Patent


Assay Description
The activity of a compound according to the present invention can be assessed by the following in vitro & in vivo methods and/or by the following in ...


US Patent US9603819 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%