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Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with all data for entry = 957   
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 |r|
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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 |r|
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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 |r|
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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 |c:27|
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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 |r|
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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)
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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 |r|
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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 |r|
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
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
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)


BindingDB Entry DOI: 10.7270/Q29Z96ZH
More data for this
Ligand-Target Pair
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