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Patent code US10130642

Compile Data Set for Download or QSAR
Found 65 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))
BDBM300705
PNG
(2S,4S)-5-Biphenyl-4-yl-2-hydroxymethyl-4-[(3H-[1,2...)
Show SMILES OC[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cnn[nH]1)C(O)=O
Show InChI InChI=1S/C21H22N4O4/c26-13-17(21(28)29)11-18(23-20(27)19-12-22-25-24-19)10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,12,17-18,26H,10-11,13H2,(H,23,27)(H,28,29)(H,22,24,25)/t17-,18+/m0/s1
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<1n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300733
PNG
(US10130642, Example 4-29)
Show SMILES OCC(CC(Cc1ccc(cc1)-c1cccc(F)c1)NC(=O)c1cc(n[nH]1)-c1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C28H25ClFN3O4/c29-24-7-2-1-6-23(24)25-15-26(33-32-25)27(35)31-22(14-20(16-34)28(36)37)12-17-8-10-18(11-9-17)19-4-3-5-21(30)13-19/h1-11,13,15,20,22,34H,12,14,16H2,(H,31,35)(H,32,33)(H,36,37)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300758
PNG
(US10130642, Example 6-18)
Show SMILES CC(CO)(CC(Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cnc(O)nc1)C(O)=O
Show InChI InChI=1S/C24H25N3O5/c1-24(15-28,22(30)31)12-20(27-21(29)19-13-25-23(32)26-14-19)11-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,13-14,20,28H,11-12,15H2,1H3,(H,27,29)(H,30,31)(H,25,26,32)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300759
PNG
(US10130642, Example 6-19)
Show SMILES CC(CO)(CC(Cc1ccc(cc1)-c1ccccc1)NC(=O)C1CC(O)=NO1)C(O)=O
Show InChI InChI=1S/C23H26N2O6/c1-23(14-26,22(29)30)13-18(24-21(28)19-12-20(27)25-31-19)11-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18-19,26H,11-14H2,1H3,(H,24,28)(H,25,27)(H,29,30)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300728
PNG
(US10130642, Example 4-24)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1cc(n[nH]1)C(=O)N1CCC1)C(O)=O
Show InChI InChI=1S/C20H24N4O5/c25-12-14(20(28)29)10-15(9-13-5-2-1-3-6-13)21-18(26)16-11-17(23-22-16)19(27)24-7-4-8-24/h1-3,5-6,11,14-15,25H,4,7-10,12H2,(H,21,26)(H,22,23)(H,28,29)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300760
PNG
(5-[(1R,3S)-3-Carboxy-1-(3′-fluorobiphenyl-4-...)
Show SMILES C[C@@](CO)(C[C@@H](Cc1ccc(cc1)-c1cccc(F)c1)NC(=O)c1cc(n[nH]1)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H24FN3O6/c1-24(13-29,23(33)34)12-18(26-21(30)19-11-20(22(31)32)28-27-19)9-14-5-7-15(8-6-14)16-3-2-4-17(25)10-16/h2-8,10-11,18,29H,9,12-13H2,1H3,(H,26,30)(H,27,28)(H,31,32)(H,33,34)/t18-,24+/m1/s1
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300761
PNG
(US10130642, Example 8-1)
Show SMILES CC(CO)(CC(Cc1ccc(cc1)-c1cccc(F)c1)NC(=O)c1cnn[nH]1)C(O)=O
Show InChI InChI=1S/C22H23FN4O4/c1-22(13-28,21(30)31)11-18(25-20(29)19-12-24-27-26-19)9-14-5-7-15(8-6-14)16-3-2-4-17(23)10-16/h2-8,10,12,18,28H,9,11,13H2,1H3,(H,25,29)(H,30,31)(H,24,26,27)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300764
PNG
(US10130642, Example 8-4)
Show SMILES CC(CO)(CC(Cc1ccc(cc1)-c1ccccc1F)NC(=O)c1cn(O)nn1)C(O)=O
Show InChI InChI=1S/C22H23FN4O5/c1-22(13-28,21(30)31)11-16(24-20(29)19-12-27(32)26-25-19)10-14-6-8-15(9-7-14)17-4-2-3-5-18(17)23/h2-9,12,16,28,32H,10-11,13H2,1H3,(H,24,29)(H,30,31)
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<1n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300769
PNG
(US10130642, Example 10-2)
Show SMILES CC(C)(C(CC(CO)C(O)=O)Cc1ccc(cc1)-c1ccccc1)C(=O)c1cnn[nH]1
Show InChI InChI=1S/C24H27N3O4/c1-24(2,22(29)21-14-25-27-26-21)20(13-19(15-28)23(30)31)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14,19-20,28H,12-13,15H2,1-2H3,(H,30,31)(H,25,26,27)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300714
PNG
(US10130642, Example 4-10)
Show SMILES OCC(CC(Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cn(O)nn1)C(O)=O
Show InChI InChI=1S/C21H21ClN4O5/c22-17-3-1-2-15(9-17)14-6-4-13(5-7-14)8-18(10-16(12-27)21(29)30)23-20(28)19-11-26(31)25-24-19/h1-7,9,11,16,18,27,31H,8,10,12H2,(H,23,28)(H,29,30)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300722
PNG
(US10130642, Example 4-18)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1cc(n[nH]1)C(O)=O)C(O)=O
Show InChI InChI=1S/C17H19N3O6/c21-9-11(16(23)24)7-12(6-10-4-2-1-3-5-10)18-15(22)13-8-14(17(25)26)20-19-13/h1-5,8,11-12,21H,6-7,9H2,(H,18,22)(H,19,20)(H,23,24)(H,25,26)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300734
PNG
(US10130642, Example 4-30)
Show SMILES OCC(CC(Cc1ccc(cc1)-c1cccc(F)c1)NC(=O)c1cc(n[nH]1)-c1ccccn1)C(O)=O
Show InChI InChI=1S/C27H25FN4O4/c28-21-5-3-4-19(13-21)18-9-7-17(8-10-18)12-22(14-20(16-33)27(35)36)30-26(34)25-15-24(31-32-25)23-6-1-2-11-29-23/h1-11,13,15,20,22,33H,12,14,16H2,(H,30,34)(H,31,32)(H,35,36)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300752
PNG
(US10130642, Example 6-4)
Show SMILES CC(CO)(CC(Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cn(O)nn1)C(O)=O
Show InChI InChI=1S/C22H24N4O5/c1-22(14-27,21(29)30)12-18(23-20(28)19-13-26(31)25-24-19)11-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,13,18,27,31H,11-12,14H2,1H3,(H,23,28)(H,29,30)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300762
PNG
(US10130642, Example 8-2)
Show SMILES CC(CO)(CC(Cc1ccc(cc1)-c1ccccc1F)NC(=O)c1cnn[nH]1)C(O)=O
Show InChI InChI=1S/C22H23FN4O4/c1-22(13-28,21(30)31)11-16(25-20(29)19-12-24-27-26-19)10-14-6-8-15(9-7-14)17-4-2-3-5-18(17)23/h2-9,12,16,28H,10-11,13H2,1H3,(H,25,29)(H,30,31)(H,24,26,27)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300766
PNG
(US10130642, Example 8-6)
Show SMILES CC(CO)(CC(Cc1ccc(cc1)-c1ccccc1F)NC(=O)C1CNC(=O)O1)C(O)=O
Show InChI InChI=1S/C23H25FN2O6/c1-23(13-27,21(29)30)11-16(26-20(28)19-12-25-22(31)32-19)10-14-6-8-15(9-7-14)17-4-2-3-5-18(17)24/h2-9,16,19,27H,10-13H2,1H3,(H,25,31)(H,26,28)(H,29,30)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300768
PNG
(US10130642, Example 10-1)
Show SMILES CC(C)(C(CC(CO)C(O)=O)Cc1ccc(cc1)-c1ccccc1)C(=O)c1cn(O)nn1
Show InChI InChI=1S/C24H27N3O5/c1-24(2,22(29)21-14-27(32)26-25-21)20(13-19(15-28)23(30)31)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14,19-20,28,32H,12-13,15H2,1-2H3,(H,30,31)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300709
PNG
(US10130642, Example 4-2)
Show SMILES OCC(CC(Cc1ccc(cc1)-c1ccccc1F)NC(=O)c1cnn[nH]1)C(O)=O
Show InChI InChI=1S/C21H21FN4O4/c22-18-4-2-1-3-17(18)14-7-5-13(6-8-14)9-16(10-15(12-27)21(29)30)24-20(28)19-11-23-26-25-19/h1-8,11,15-16,27H,9-10,12H2,(H,24,28)(H,29,30)(H,23,25,26)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300732
PNG
(US10130642, Example 4-28)
Show SMILES CCCCc1cc([nH]n1)C(=O)NC(CC(CO)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C20H27N3O4/c1-2-3-9-16-12-18(23-22-16)19(25)21-17(11-15(13-24)20(26)27)10-14-7-5-4-6-8-14/h4-8,12,15,17,24H,2-3,9-11,13H2,1H3,(H,21,25)(H,22,23)(H,26,27)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300737
PNG
(US10130642, Example 4-33)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1cc(F)c2nn[nH]c2c1)C(O)=O
Show InChI InChI=1S/C19H19FN4O4/c20-15-8-12(9-16-17(15)23-24-22-16)18(26)21-14(7-13(10-25)19(27)28)6-11-4-2-1-3-5-11/h1-5,8-9,13-14,25H,6-7,10H2,(H,21,26)(H,27,28)(H,22,23,24)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300738
PNG
(US10130642, Example 4-34)
Show SMILES OCC(CC(Cc1ccc(cc1)-c1cccc(F)c1)NC(=O)c1ccc2nnn(O)c2c1)C(O)=O
Show InChI InChI=1S/C25H23FN4O5/c26-20-3-1-2-17(11-20)16-6-4-15(5-7-16)10-21(12-19(14-31)25(33)34)27-24(32)18-8-9-22-23(13-18)30(35)29-28-22/h1-9,11,13,19,21,31,35H,10,12,14H2,(H,27,32)(H,33,34)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300744
PNG
(US10130642, Example 4-45)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1cc(O)no1)C(O)=O
Show InChI InChI=1S/C16H18N2O6/c19-9-11(16(22)23)7-12(6-10-4-2-1-3-5-10)17-15(21)13-8-14(20)18-24-13/h1-5,8,11-12,19H,6-7,9H2,(H,17,21)(H,18,20)(H,22,23)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300745
PNG
(US10130642, Example 4-47)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1cnc(O)nc1)C(O)=O
Show InChI InChI=1S/C17H19N3O5/c21-10-12(16(23)24)7-14(6-11-4-2-1-3-5-11)20-15(22)13-8-18-17(25)19-9-13/h1-5,8-9,12,14,21H,6-7,10H2,(H,20,22)(H,23,24)(H,18,19,25)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300755
PNG
(US10130642, Example 6-15)
Show SMILES CC(CO)(CC(Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cc(n[nH]1)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H25N3O6/c1-24(14-28,23(32)33)13-18(25-21(29)19-12-20(22(30)31)27-26-19)11-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,12,18,28H,11,13-14H2,1H3,(H,25,29)(H,26,27)(H,30,31)(H,32,33)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300765
PNG
(US10130642, Example 8-5)
Show SMILES CC(CO)(CC(Cc1ccc(cc1)-c1ccccc1F)NC(=O)c1coc(=O)[nH]1)C(O)=O
Show InChI InChI=1S/C23H23FN2O6/c1-23(13-27,21(29)30)11-16(25-20(28)19-12-32-22(31)26-19)10-14-6-8-15(9-7-14)17-4-2-3-5-18(17)24/h2-9,12,16,27H,10-11,13H2,1H3,(H,25,28)(H,26,31)(H,29,30)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300767
PNG
((2S,4S)-5-Biphenyl-4-yl-4-[(3-hydroxy-isoxazole-5-...)
Show SMILES CC(C)([C@H](C[C@@H](CO)C(O)=O)NC(=O)c1cn(O)nn1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H26N4O5/c1-23(2,18-10-8-16(9-11-18)15-6-4-3-5-7-15)20(12-17(14-28)22(30)31)24-21(29)19-13-27(32)26-25-19/h3-11,13,17,20,28,32H,12,14H2,1-2H3,(H,24,29)(H,30,31)/t17-,20-/m0/s1
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300711
PNG
(US10130642, Example 4-7)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1cn(O)nn1)C(O)=O
Show InChI InChI=1S/C15H18N4O5/c20-9-11(15(22)23)7-12(6-10-4-2-1-3-5-10)16-14(21)13-8-19(24)18-17-13/h1-5,8,11-12,20,24H,6-7,9H2,(H,16,21)(H,22,23)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300712
PNG
(US10130642, Example 4-8)
Show SMILES OCC(CC(Cc1ccc(cc1)-c1ccccc1F)NC(=O)c1cn(O)nn1)C(O)=O
Show InChI InChI=1S/C21H21FN4O5/c22-18-4-2-1-3-17(18)14-7-5-13(6-8-14)9-16(10-15(12-27)21(29)30)23-20(28)19-11-26(31)25-24-19/h1-8,11,15-16,27,31H,9-10,12H2,(H,23,28)(H,29,30)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300713
PNG
(US10130642, Example 4-9)
Show SMILES OCC(CC(Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1c[nH]nn1)C(O)=O
Show InChI InChI=1S/C21H21ClN4O4/c22-17-3-1-2-15(9-17)14-6-4-13(5-7-14)8-18(10-16(12-27)21(29)30)24-20(28)19-11-23-26-25-19/h1-7,9,11,16,18,27H,8,10,12H2,(H,24,28)(H,29,30)(H,23,25,26)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300721
PNG
(US10130642, Example 4-17)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1cc(O)n[nH]1)C(O)=O
Show InChI InChI=1S/C16H19N3O5/c20-9-11(16(23)24)7-12(6-10-4-2-1-3-5-10)17-15(22)13-8-14(21)19-18-13/h1-5,8,11-12,20H,6-7,9H2,(H,17,22)(H,23,24)(H2,18,19,21)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300731
PNG
(US10130642, Example 4-27)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1cc(n[nH]1)-c1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C22H22ClN3O4/c23-18-9-5-4-8-17(18)19-12-20(26-25-19)21(28)24-16(11-15(13-27)22(29)30)10-14-6-2-1-3-7-14/h1-9,12,15-16,27H,10-11,13H2,(H,24,28)(H,25,26)(H,29,30)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300707
PNG
((2S,4S)-4-[(5-Chloro-2H-[1,2,4]triazole-3-carbonyl...)
Show SMILES OC[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(F)c1)NC(=O)c1nc(Cl)n[nH]1)C(O)=O
Show InChI InChI=1S/C21H20ClFN4O4/c22-21-25-18(26-27-21)19(29)24-17(10-15(11-28)20(30)31)8-12-4-6-13(7-5-12)14-2-1-3-16(23)9-14/h1-7,9,15,17,28H,8,10-11H2,(H,24,29)(H,30,31)(H,25,26,27)/t15-,17+/m0/s1
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300710
PNG
(US10130642, Example 4-3)
Show SMILES OCC(CC(Cc1ccc(cc1)-c1cccc(F)c1)NC(=O)c1cnn[nH]1)C(O)=O
Show InChI InChI=1S/C21H21FN4O4/c22-17-3-1-2-15(9-17)14-6-4-13(5-7-14)8-18(10-16(12-27)21(29)30)24-20(28)19-11-23-26-25-19/h1-7,9,11,16,18,27H,8,10,12H2,(H,24,28)(H,29,30)(H,23,25,26)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300718
PNG
(US10130642, Example 4-14)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1nc(O)n[nH]1)C(O)=O
Show InChI InChI=1S/C15H18N4O5/c20-8-10(14(22)23)7-11(6-9-4-2-1-3-5-9)16-13(21)12-17-15(24)19-18-12/h1-5,10-11,20H,6-8H2,(H,16,21)(H,22,23)(H2,17,18,19,24)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300720
PNG
(US10130642, Example 4-16)
Show SMILES OCC(CC(Cc1ccc(cc1)-c1ccccc1F)NC(=O)c1nc(Cl)n[nH]1)C(O)=O
Show InChI InChI=1S/C21H20ClFN4O4/c22-21-25-18(26-27-21)19(29)24-15(10-14(11-28)20(30)31)9-12-5-7-13(8-6-12)16-3-1-2-4-17(16)23/h1-8,14-15,28H,9-11H2,(H,24,29)(H,30,31)(H,25,26,27)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300729
PNG
(US10130642, Example 4-25)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1cc(n[nH]1)C(=O)N1CCCC1)C(O)=O
Show InChI InChI=1S/C21H26N4O5/c26-13-15(21(29)30)11-16(10-14-6-2-1-3-7-14)22-19(27)17-12-18(24-23-17)20(28)25-8-4-5-9-25/h1-3,6-7,12,15-16,26H,4-5,8-11,13H2,(H,22,27)(H,23,24)(H,29,30)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300748
PNG
(US10130642, Example 5-A)
Show SMILES C[C@@](CO)(C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cnnn1)C(O)=O
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300723
PNG
(US10130642, Example 4-19)
Show SMILES CC(=O)c1cc([nH]n1)C(=O)NC(CC(CO)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C18H21N3O5/c1-11(23)15-9-16(21-20-15)17(24)19-14(8-13(10-22)18(25)26)7-12-5-3-2-4-6-12/h2-6,9,13-14,22H,7-8,10H2,1H3,(H,19,24)(H,20,21)(H,25,26)
PDB

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3.55n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300727
PNG
(US10130642, Example 4-23)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1cc(n[nH]1)C(=O)NC1CC1)C(O)=O
Show InChI InChI=1S/C20H24N4O5/c25-11-13(20(28)29)9-15(8-12-4-2-1-3-5-12)22-19(27)17-10-16(23-24-17)18(26)21-14-6-7-14/h1-5,10,13-15,25H,6-9,11H2,(H,21,26)(H,22,27)(H,23,24)(H,28,29)
PDB

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3.55n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300757
PNG
(US10130642, Example 6-17)
Show SMILES CC(CO)(CC(Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cc(O)n[nH]1)C(O)=O
Show InChI InChI=1S/C23H25N3O5/c1-23(14-27,22(30)31)13-18(24-21(29)19-12-20(28)26-25-19)11-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,12,18,27H,11,13-14H2,1H3,(H,24,29)(H,30,31)(H2,25,26,28)
PDB

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3.55n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300743
PNG
(US10130642, Example 4-43)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1ccc2nn[nH]c2n1)C(O)=O
Show InChI InChI=1S/C18H19N5O4/c24-10-12(18(26)27)9-13(8-11-4-2-1-3-5-11)19-17(25)15-7-6-14-16(20-15)22-23-21-14/h1-7,12-13,24H,8-10H2,(H,19,25)(H,26,27)(H,20,21,22,23)
PDB

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3.55n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300706
PNG
((2S,4S)-5-Biphenyl-4-yl-4-[(5-chloro-2H-[1,2,4]-tr...)
Show SMILES OC[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1nc(Cl)n[nH]1)C(O)=O
Show InChI InChI=1S/C21H21ClN4O4/c22-21-24-18(25-26-21)19(28)23-17(11-16(12-27)20(29)30)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-17,27H,10-12H2,(H,23,28)(H,29,30)(H,24,25,26)/t16-,17+/m0/s1
PDB

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3.55n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300726
PNG
(US10130642, Example 4-22)
Show SMILES COCCN(C)C(=O)c1cc([nH]n1)C(=O)NC(CC(CO)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C21H28N4O6/c1-25(8-9-31-2)20(28)18-12-17(23-24-18)19(27)22-16(11-15(13-26)21(29)30)10-14-6-4-3-5-7-14/h3-7,12,15-16,26H,8-11,13H2,1-2H3,(H,22,27)(H,23,24)(H,29,30)
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3.55n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300740
PNG
(US10130642, Example 4-36)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1cc(Cl)c2nc[nH]c2c1)C(O)=O
Show InChI InChI=1S/C20H20ClN3O4/c21-16-8-13(9-17-18(16)23-11-22-17)19(26)24-15(7-14(10-25)20(27)28)6-12-4-2-1-3-5-12/h1-5,8-9,11,14-15,25H,6-7,10H2,(H,22,23)(H,24,26)(H,27,28)
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3.55n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300749
PNG
(US10130642, Example 6-1)
Show SMILES CC(CO)(CC(Cc1ccc(cc1)-c1ccccc1)NC(=O)c1nnc(Cl)[nH]1)C(O)=O
Show InChI InChI=1S/C22H23ClN4O4/c1-22(13-28,20(30)31)12-17(24-19(29)18-25-21(23)27-26-18)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,17,28H,11-13H2,1H3,(H,24,29)(H,30,31)(H,25,26,27)
PDB

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3.55n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300716
PNG
(US10130642, Example 4-12)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1ncn[nH]1)C(O)=O
Show InChI InChI=1S/C15H18N4O4/c20-8-11(15(22)23)7-12(6-10-4-2-1-3-5-10)18-14(21)13-16-9-17-19-13/h1-5,9,11-12,20H,6-8H2,(H,18,21)(H,22,23)(H,16,17,19)
PDB

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3.55n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300708
PNG
(US10130642, Example 4-1)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1cnn[nH]1)C(O)=O
Show InChI InChI=1S/C15H18N4O4/c20-9-11(15(22)23)7-12(6-10-4-2-1-3-5-10)17-14(21)13-8-16-19-18-13/h1-5,8,11-12,20H,6-7,9H2,(H,17,21)(H,22,23)(H,16,18,19)
PDB

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3.55n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300736
PNG
(US10130642, Example 4-32)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1cc(Cl)c2nn[nH]c2c1)C(O)=O
Show InChI InChI=1S/C19H19ClN4O4/c20-15-8-12(9-16-17(15)23-24-22-16)18(26)21-14(7-13(10-25)19(27)28)6-11-4-2-1-3-5-11/h1-5,8-9,13-14,25H,6-7,10H2,(H,21,26)(H,27,28)(H,22,23,24)
PDB

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3.55n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300715
PNG
(US10130642, Example 4-11)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1nc[nH]n1)C(O)=O
Show InChI InChI=1S/C15H18N4O4/c20-8-11(15(22)23)7-12(6-10-4-2-1-3-5-10)18-14(21)13-16-9-17-19-13/h1-5,9,11-12,20H,6-8H2,(H,18,21)(H,22,23)(H,16,17,19)
PDB

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3.55n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300724
PNG
(BDBM300725 | US10130642, Example 4-20)
Show SMILES CN(C)C(=O)c1cc([nH]n1)C(=O)NC(CC(CO)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C19H24N4O5/c1-23(2)18(26)16-10-15(21-22-16)17(25)20-14(9-13(11-24)19(27)28)8-12-6-4-3-5-7-12/h3-7,10,13-14,24H,8-9,11H2,1-2H3,(H,20,25)(H,21,22)(H,27,28)
PDB

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3.55n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300730
PNG
(US10130642, Example 4-26)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1cc(n[nH]1)C(=O)N1CCOCC1)C(O)=O
Show InChI InChI=1S/C21H26N4O6/c26-13-15(21(29)30)11-16(10-14-4-2-1-3-5-14)22-19(27)17-12-18(24-23-17)20(28)25-6-8-31-9-7-25/h1-5,12,15-16,26H,6-11,13H2,(H,22,27)(H,23,24)(H,29,30)
PDB

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3.55n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300747
PNG
(US10130642, Example 4-50)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1cc(=O)c(O)co1)C(O)=O
Show InChI InChI=1S/C18H19NO7/c20-9-12(18(24)25)7-13(6-11-4-2-1-3-5-11)19-17(23)16-8-14(21)15(22)10-26-16/h1-5,8,10,12-13,20,22H,6-7,9H2,(H,19,23)(H,24,25)
PDB

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3.55n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300735
PNG
(US10130642, Example 4-31)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)C1=NCC(O)=N1)C(O)=O
Show InChI InChI=1S/C16H19N3O5/c20-9-11(16(23)24)7-12(6-10-4-2-1-3-5-10)18-15(22)14-17-8-13(21)19-14/h1-5,11-12,20H,6-9H2,(H,18,22)(H,23,24)(H,17,19,21)
PDB

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35.5n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300724
PNG
(BDBM300725 | US10130642, Example 4-20)
Show SMILES CN(C)C(=O)c1cc([nH]n1)C(=O)NC(CC(CO)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C19H24N4O5/c1-23(2)18(26)16-10-15(21-22-16)17(25)20-14(9-13(11-24)19(27)28)8-12-6-4-3-5-7-12/h3-7,10,13-14,24H,8-9,11H2,1-2H3,(H,20,25)(H,21,22)(H,27,28)
PDB

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35.5n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300741
PNG
(US10130642, Example 4-38)
Show SMILES Cc1nc2c(Cl)cc(cc2[nH]1)C(=O)NC(CC(CO)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C21H22ClN3O4/c1-12-23-18-10-14(9-17(22)19(18)24-12)20(27)25-16(8-15(11-26)21(28)29)7-13-5-3-2-4-6-13/h2-6,9-10,15-16,26H,7-8,11H2,1H3,(H,23,24)(H,25,27)(H,28,29)
PDB

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35.5n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300746
PNG
(US10130642, Example 4-49)
Show SMILES OCC(CC(Cc1ccccc1)NC(=O)c1ccc(O)nn1)C(O)=O
Show InChI InChI=1S/C17H19N3O5/c21-10-12(17(24)25)9-13(8-11-4-2-1-3-5-11)18-16(23)14-6-7-15(22)20-19-14/h1-7,12-13,21H,8-10H2,(H,18,23)(H,20,22)(H,24,25)
PDB

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35.5n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300750
PNG
(US10130642, Example 6-2)
Show SMILES CC(CO)(CC(Cc1ccc(cc1)-c1ccccc1)NC(=O)c1nnc(O)[nH]1)C(O)=O
Show InChI InChI=1S/C22H24N4O5/c1-22(13-27,20(29)30)12-17(23-19(28)18-24-21(31)26-25-18)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,17,27H,11-13H2,1H3,(H,23,28)(H,29,30)(H2,24,25,26,31)
PDB

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35.5n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300754
PNG
(US10130642, Example 6-6)
Show SMILES CC(CO)(CC(Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cn(Cc2ccccc2)nn1)C(O)=O
Show InChI InChI=1S/C29H30N4O4/c1-29(20-34,28(36)37)17-25(16-21-12-14-24(15-13-21)23-10-6-3-7-11-23)30-27(35)26-19-33(32-31-26)18-22-8-4-2-5-9-22/h2-15,19,25,34H,16-18,20H2,1H3,(H,30,35)(H,36,37)
PDB

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35.5n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300763
PNG
(US10130642, Example 8-3)
Show SMILES CC(CO)(CC(Cc1ccc(cc1)-c1ccc(F)cc1)NC(=O)c1cnn[nH]1)C(O)=O
Show InChI InChI=1S/C22H23FN4O4/c1-22(13-28,21(30)31)11-18(25-20(29)19-12-24-27-26-19)10-14-2-4-15(5-3-14)16-6-8-17(23)9-7-16/h2-9,12,18,28H,10-11,13H2,1H3,(H,25,29)(H,30,31)(H,24,26,27)
PDB

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35.5n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300717
PNG
(US10130642, Example 4-13)
Show SMILES Cc1n[nH]c(n1)C(=O)NC(CC(CO)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C16H20N4O4/c1-10-17-14(20-19-10)15(22)18-13(8-12(9-21)16(23)24)7-11-5-3-2-4-6-11/h2-6,12-13,21H,7-9H2,1H3,(H,18,22)(H,23,24)(H,17,19,20)
PDB

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35.5n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300742
PNG
(US10130642, Example 4-40)
Show SMILES CCc1nc2c(Cl)cc(cc2[nH]1)C(=O)NC(CC(CO)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C22H24ClN3O4/c1-2-19-25-18-11-14(10-17(23)20(18)26-19)21(28)24-16(9-15(12-27)22(29)30)8-13-6-4-3-5-7-13/h3-7,10-11,15-16,27H,2,8-9,12H2,1H3,(H,24,28)(H,25,26)(H,29,30)
PDB

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35.5n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300751
PNG
(US10130642, Example 6-3)
Show SMILES CC(CO)(CC(Cc1ccc(cc1)-c1ccccc1)NC(=O)C1CN=NN1)C(O)=O
Show InChI InChI=1S/C22H26N4O4/c1-22(14-27,21(29)30)12-18(24-20(28)19-13-23-26-25-19)11-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18-19,27H,11-14H2,1H3,(H,23,25)(H,24,28)(H,29,30)
PDB

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35.5n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300753
PNG
(US10130642, Example 6-5)
Show SMILES COC(=O)NC(C)(C)CC(=O)OCn1cc(nn1)C(=O)NC(Cc1ccc(cc1)-c1ccccc1)CC(C)(CO)C(O)=O
Show InChI InChI=1S/C30H37N5O8/c1-29(2,32-28(41)42-4)16-25(37)43-19-35-17-24(33-34-35)26(38)31-23(15-30(3,18-36)27(39)40)14-20-10-12-22(13-11-20)21-8-6-5-7-9-21/h5-13,17,23,36H,14-16,18-19H2,1-4H3,(H,31,38)(H,32,41)(H,39,40)
PDB

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35.5n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300756
PNG
(US10130642, Example 6-16)
Show SMILES CC(=O)c1cc([nH]n1)C(=O)NC(Cc1ccc(cc1)-c1ccccc1)CC(C)(CO)C(O)=O
Show InChI InChI=1S/C25H27N3O5/c1-16(30)21-13-22(28-27-21)23(31)26-20(14-25(2,15-29)24(32)33)12-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,13,20,29H,12,14-15H2,1-2H3,(H,26,31)(H,27,28)(H,32,33)
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
35.5n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300739
PNG
(US10130642, Example 4-35)
Show SMILES Cc1nc2c(C)cc(cc2[nH]1)C(=O)NC(CC(CO)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C22H25N3O4/c1-13-8-16(11-19-20(13)24-14(2)23-19)21(27)25-18(10-17(12-26)22(28)29)9-15-6-4-3-5-7-15/h3-8,11,17-18,26H,9-10,12H2,1-2H3,(H,23,24)(H,25,27)(H,28,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
35.5n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300719
PNG
(US10130642, Example 4-15)
Show SMILES CCOC(=O)C(CO)CC(Cc1ccccc1)NC(=O)c1nc(O)n[nH]1
Show InChI InChI=1S/C17H22N4O5/c1-2-26-16(24)12(10-22)9-13(8-11-6-4-3-5-7-11)18-15(23)14-19-17(25)21-20-14/h3-7,12-13,22H,2,8-10H2,1H3,(H,18,23)(H2,19,20,21,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.00E+9n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US10130642 (2018)

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