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Compile Data Set for Download or QSAR

Found 1257 hits of affinity data for UniProtKB/TrEMBL: P08473   
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))
BDBM298285
PNG
(US10123984, Example 2A | US10744104, Example 2A | ...)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H18ClNO6/c20-14-3-1-2-13(9-14)12-6-4-11(5-7-12)8-15(10-16(22)18(24)25)21-17(23)19(26)27/h1-7,9,15-16,22H,8,10H2,(H,21,23)(H,24,25)(H,26,27)/t15-,16-/m1/s1
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0.200n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2PR8136
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50411736
PNG
(CHEMBL271225)
Show SMILES CC(C)C[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H25NO3S/c1-14(2)12-19(26)20(23)22-18(21(24)25)13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18-19,26H,12-13H2,1-2H3,(H,22,23)(H,24,25)/t18-,19-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM582847
PNG
(US11547687, Comparative Compound I | US20230285340...)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)CC(O)=O)C(O)=O
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0.316n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2PR8136
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
CHEMBL5272269
PNG
PDB

KEGG

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0.400n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM582848
PNG
(US11547687, Comparative Compound J | US20230285340...)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)CCC(O)=O)C(O)=O
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0.501n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2PR8136
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM617465
PNG
(US20230285340, Example 5A)
Show SMILES COC(=O)C(O)CC(Cc1ccc(cc1)-c1cc(Cl)ccc1C)NC(=O)C(O)=O
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0.631n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2PR8136
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50024101
PNG
((S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C13H17NO3S/c1-9(13(16)17)14-12(15)11(8-18)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,14,15)(H,16,17)/t9-,11+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Pharmaleads , Paris BioPark, 11 Rue Watt, 75013 Paris, France.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP using Suc-Ala-Ala-Phe-AMC as substrate after 30 mins by fluorimetry


J Med Chem 57: 5748-63 (2014)


Article DOI: 10.1021/jm500602h
BindingDB Entry DOI: 10.7270/Q2Q241TH
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 |r|
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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0.700n/an/an/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


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
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 |r|
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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0.700n/an/an/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


J Med Chem 37: 1070-83 (1994)


BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50411731
PNG
(CHEMBL257726)
Show SMILES CC[C@H](S)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H21NO3S/c1-2-17(24)18(21)20-16(19(22)23)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16-17,24H,2,12H2,1H3,(H,20,21)(H,22,23)/t16-,17-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP by fluorescence assay


Bioorg Med Chem Lett 18: 732-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.048
BindingDB Entry DOI: 10.7270/Q2GT5PCB
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM582844
PNG
(US11547687, Comparative Compound G | US20230285340...)
Show SMILES OC[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O)C(O)=O
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1n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2PR8136
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459392
PNG
(US10759813, Example 18-32)
Show SMILES CC(O)c1cc([nH]n1)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H24ClN3O5/c1-13(28)19-12-20(27-26-19)22(30)25-18(11-21(29)23(31)32)9-14-5-7-15(8-6-14)16-3-2-4-17(24)10-16/h2-8,10,12-13,18,21,28-29H,9,11H2,1H3,(H,25,30)(H,26,27)(H,31,32)/t13?,18-,21-/m1/s1
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<1n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459393
PNG
(US10759813, Example 18-34)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc([nH]n1)-c1cccnc1)C(O)=O
Show InChI InChI=1S/C26H23ClN4O4/c27-20-5-1-3-18(12-20)17-8-6-16(7-9-17)11-21(13-24(32)26(34)35)29-25(33)23-14-22(30-31-23)19-4-2-10-28-15-19/h1-10,12,14-15,21,24,32H,11,13H2,(H,29,33)(H,30,31)(H,34,35)/t21-,24-/m1/s1
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<1n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459394
PNG
(US10759813, Example 18-35)
Show SMILES Cn1nc(cc1O)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H22ClN3O5/c1-26-20(28)12-18(25-26)21(29)24-17(11-19(27)22(30)31)9-13-5-7-14(8-6-13)15-3-2-4-16(23)10-15/h2-8,10,12,17,19,27-28H,9,11H2,1H3,(H,24,29)(H,30,31)/t17-,19-/m1/s1
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<1n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459395
PNG
(US10759813, Example 18-37)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(O)n(n1)-c1ccccn1)C(O)=O
Show InChI InChI=1S/C26H23ClN4O5/c27-19-5-3-4-18(13-19)17-9-7-16(8-10-17)12-20(14-22(32)26(35)36)29-25(34)21-15-24(33)31(30-21)23-6-1-2-11-28-23/h1-11,13,15,20,22,32-33H,12,14H2,(H,29,34)(H,35,36)/t20-,22-/m1/s1
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<1n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459396
PNG
(US10759813, Example 18-38)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(O)n(n1)-c1ccccc1F)C(O)=O
Show InChI InChI=1S/C27H23ClFN3O5/c28-19-5-3-4-18(13-19)17-10-8-16(9-11-17)12-20(14-24(33)27(36)37)30-26(35)22-15-25(34)32(31-22)23-7-2-1-6-21(23)29/h1-11,13,15,20,24,33-34H,12,14H2,(H,30,35)(H,36,37)/t20-,24-/m1/s1
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<1n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459397
PNG
(US10759813, Example 18-39)
Show SMILES O[C@H](C[C@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(O)n(n1)-c1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C27H23Cl2N3O5/c28-19-4-1-3-18(12-19)17-9-7-16(8-10-17)11-21(14-24(33)27(36)37)30-26(35)23-15-25(34)32(31-23)22-6-2-5-20(29)13-22/h1-10,12-13,15,21,24,33-34H,11,14H2,(H,30,35)(H,36,37)/t21-,24+/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
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459398
PNG
(US10759813, Example 18-40)
Show SMILES CCOc1cc(n[nH]1)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H24ClN3O5/c1-2-32-21-13-19(26-27-21)22(29)25-18(12-20(28)23(30)31)10-14-6-8-15(9-7-14)16-4-3-5-17(24)11-16/h3-9,11,13,18,20,28H,2,10,12H2,1H3,(H,25,29)(H,26,27)(H,30,31)/t18-,20-/m1/s1
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<1n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459399
PNG
(US10759813, Example 18-41)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(=O)n([nH]1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C27H24ClN3O5/c28-20-6-4-5-19(14-20)18-11-9-17(10-12-18)13-21(15-24(32)27(35)36)29-26(34)23-16-25(33)31(30-23)22-7-2-1-3-8-22/h1-12,14,16,21,24,30,32H,13,15H2,(H,29,34)(H,35,36)/t21-,24-/m1/s1
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<1n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459400
PNG
(US10759813, Example 18-42)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1nn(-c2cccc(Cl)c2)c(=O)[nH]1)C(O)=O
Show InChI InChI=1S/C26H22Cl2N4O5/c27-18-4-1-3-17(12-18)16-9-7-15(8-10-16)11-20(14-22(33)25(35)36)29-24(34)23-30-26(37)32(31-23)21-6-2-5-19(28)13-21/h1-10,12-13,20,22,33H,11,14H2,(H,29,34)(H,35,36)(H,30,31,37)/t20-,22-/m1/s1
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<1n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459401
PNG
(US10759813, Example 18-43)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1nn(-c2ccccc2Cl)c(=O)[nH]1)C(O)=O
Show InChI InChI=1S/C26H22Cl2N4O5/c27-18-5-3-4-17(13-18)16-10-8-15(9-11-16)12-19(14-22(33)25(35)36)29-24(34)23-30-26(37)32(31-23)21-7-2-1-6-20(21)28/h1-11,13,19,22,33H,12,14H2,(H,29,34)(H,35,36)(H,30,31,37)/t19-,22-/m1/s1
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<1n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459402
PNG
(US10759813, Example 18-44)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1nn(-c2ccc(F)cc2)c(=O)[nH]1)C(O)=O
Show InChI InChI=1S/C26H22ClFN4O5/c27-18-3-1-2-17(13-18)16-6-4-15(5-7-16)12-20(14-22(33)25(35)36)29-24(34)23-30-26(37)32(31-23)21-10-8-19(28)9-11-21/h1-11,13,20,22,33H,12,14H2,(H,29,34)(H,35,36)(H,30,31,37)/t20-,22-/m1/s1
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<1n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459403
PNG
(US10759813, Example 18-45)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1nnc([nH]1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H18ClF3N4O4/c22-14-3-1-2-13(9-14)12-6-4-11(5-7-12)8-15(10-16(30)19(32)33)26-18(31)17-27-20(29-28-17)21(23,24)25/h1-7,9,15-16,30H,8,10H2,(H,26,31)(H,32,33)(H,27,28,29)/t15-,16-/m1/s1
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<1n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459404
PNG
(US10759813, Example 18-46)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1n[nH]c(Cl)n1)C(O)=O
Show InChI InChI=1S/C20H18Cl2N4O4/c21-14-3-1-2-13(9-14)12-6-4-11(5-7-12)8-15(10-16(27)19(29)30)23-18(28)17-24-20(22)26-25-17/h1-7,9,15-16,27H,8,10H2,(H,23,28)(H,29,30)(H,24,25,26)/t15-,16-/m1/s1
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<1n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459405
PNG
(US10759813, Example 18-47)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1nn(-c2ccccc2)c(=O)[nH]1)C(O)=O
Show InChI InChI=1S/C26H23ClN4O5/c27-19-6-4-5-18(14-19)17-11-9-16(10-12-17)13-20(15-22(32)25(34)35)28-24(33)23-29-26(36)31(30-23)21-7-2-1-3-8-21/h1-12,14,20,22,32H,13,15H2,(H,28,33)(H,34,35)(H,29,30,36)/t20-,22-/m1/s1
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<1n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459408
PNG
(US10759813, Example 18-50)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1ccc(O)nn1)C(O)=O
Show InChI InChI=1S/C22H20ClN3O5/c23-16-3-1-2-15(11-16)14-6-4-13(5-7-14)10-17(12-19(27)22(30)31)24-21(29)18-8-9-20(28)26-25-18/h1-9,11,17,19,27H,10,12H2,(H,24,29)(H,26,28)(H,30,31)/t17-,19-/m1/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459409
PNG
(US10759813, Example 19-1)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1Cl)NC(=O)c1cn(O)nn1)C(O)=O
Show InChI InChI=1S/C20H18Cl2N4O5/c21-13-5-6-16(22)15(8-13)12-3-1-11(2-4-12)7-14(9-18(27)20(29)30)23-19(28)17-10-26(31)25-24-17/h1-6,8,10,14,18,27,31H,7,9H2,(H,23,28)(H,29,30)/t14-,18-/m1/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459410
PNG
(US10759813, Example 19-6)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cn(O)nn1)C(O)=O
Show InChI InChI=1S/C20H18ClFN4O5/c21-13-5-6-16(22)15(8-13)12-3-1-11(2-4-12)7-14(9-18(27)20(29)30)23-19(28)17-10-26(31)25-24-17/h1-6,8,10,14,18,27,31H,7,9H2,(H,23,28)(H,29,30)/t14-,18-/m1/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459411
PNG
(US10759813, Example 19-12)
Show SMILES Cc1ccc(Cl)cc1-c1ccc(C[C@H](C[C@@H](O)C(O)=O)NC(=O)c2cn(O)nn2)cc1
Show InChI InChI=1S/C21H21ClN4O5/c1-12-2-7-15(22)9-17(12)14-5-3-13(4-6-14)8-16(10-19(27)21(29)30)23-20(28)18-11-26(31)25-24-18/h2-7,9,11,16,19,27,31H,8,10H2,1H3,(H,23,28)(H,29,30)/t16-,19-/m1/s1
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<1n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459412
PNG
(US10759813, Example 19-17)
Show SMILES COc1ccccc1-c1ccc(C[C@H](C[C@@H](O)C(O)=O)NC(=O)c2cn(O)nn2)cc1
Show InChI InChI=1S/C21H22N4O6/c1-31-19-5-3-2-4-16(19)14-8-6-13(7-9-14)10-15(11-18(26)21(28)29)22-20(27)17-12-25(30)24-23-17/h2-9,12,15,18,26,30H,10-11H2,1H3,(H,22,27)(H,28,29)/t15-,18-/m1/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459413
PNG
(US10759813, Example 19-18)
Show SMILES CC(=O)OCOn1nncc1C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H22ClFN4O7/c1-13(30)35-12-36-29-20(11-26-28-29)22(32)27-17(10-21(31)23(33)34)8-14-2-4-15(5-3-14)18-9-16(24)6-7-19(18)25/h2-7,9,11,17,21,31H,8,10,12H2,1H3,(H,27,32)(H,33,34)/t17-,21-/m1/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459414
PNG
(US10759813, Example 19-19)
Show SMILES COc1cc(on1)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C22H20ClFN2O6/c1-31-20-11-19(32-26-20)21(28)25-15(10-18(27)22(29)30)8-12-2-4-13(5-3-12)16-9-14(23)6-7-17(16)24/h2-7,9,11,15,18,27H,8,10H2,1H3,(H,25,28)(H,29,30)/t15-,18-/m1/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459415
PNG
(US10759813, Example 19-20)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1nn(-c2ccccc2)c(=O)[nH]1)C(O)=O
Show InChI InChI=1S/C26H22ClFN4O5/c27-17-10-11-21(28)20(13-17)16-8-6-15(7-9-16)12-18(14-22(33)25(35)36)29-24(34)23-30-26(37)32(31-23)19-4-2-1-3-5-19/h1-11,13,18,22,33H,12,14H2,(H,29,34)(H,35,36)(H,30,31,37)/t18-,22-/m1/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459416
PNG
(US10759813, Example 19-21)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1Cl)-c1ccccc1Cl)NC(=O)c1ccc2nnn(OCOC=O)c2c1)C(O)=O
Show InChI InChI=1S/C26H22Cl2N4O7/c27-20-4-2-1-3-19(20)15-5-6-16(21(28)10-15)9-18(12-24(34)26(36)37)29-25(35)17-7-8-22-23(11-17)32(31-30-22)39-14-38-13-33/h1-8,10-11,13,18,24,34H,9,12,14H2,(H,29,35)(H,36,37)/t18-,24-/m1/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459417
PNG
(US10759813, Example 20-1)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1Cl)-c1ccccc1)NC(=O)c1c[nH]nn1)C(O)=O
Show InChI InChI=1S/C20H19ClN4O4/c21-16-9-13(12-4-2-1-3-5-12)6-7-14(16)8-15(10-18(26)20(28)29)23-19(27)17-11-22-25-24-17/h1-7,9,11,15,18,26H,8,10H2,(H,23,27)(H,28,29)(H,22,24,25)/t15-,18-/m1/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459418
PNG
(US10759813, Example 20-2)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1Cl)-c1ccccc1)NC(=O)c1cnn[nH]1)C(O)=O
Show InChI InChI=1S/C20H19ClN4O4/c21-16-9-13(12-4-2-1-3-5-12)6-7-14(16)8-15(10-18(26)20(28)29)23-19(27)17-11-22-25-24-17/h1-7,9,11,15,18,26H,8,10H2,(H,23,27)(H,28,29)(H,22,24,25)/t15-,18-/m1/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459419
PNG
(US10759813, Example 20-3)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1Cl)-c1ccccc1)NC(=O)c1nn(-c2cccc(Cl)c2)c(=O)[nH]1)C(O)=O
Show InChI InChI=1S/C26H22Cl2N4O5/c27-18-7-4-8-20(13-18)32-26(37)30-23(31-32)24(34)29-19(14-22(33)25(35)36)11-17-10-9-16(12-21(17)28)15-5-2-1-3-6-15/h1-10,12-13,19,22,33H,11,14H2,(H,29,34)(H,35,36)(H,30,31,37)/t19-,22-/m1/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459420
PNG
(US10759813, Example 20-4)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1Cl)-c1ccccc1)NC(=O)c1nn(-c2ccccc2)c(=O)[nH]1)C(O)=O
Show InChI InChI=1S/C26H23ClN4O5/c27-21-14-17(16-7-3-1-4-8-16)11-12-18(21)13-19(15-22(32)25(34)35)28-24(33)23-29-26(36)31(30-23)20-9-5-2-6-10-20/h1-12,14,19,22,32H,13,15H2,(H,28,33)(H,34,35)(H,29,30,36)/t19-,22-/m1/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459421
PNG
(US10759813, Example 20-5)
Show SMILES CN(C)C(=O)c1cc([nH]n1)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1Cl)-c1ccccc1
Show InChI InChI=1S/C24H25ClN4O5/c1-29(2)23(32)20-13-19(27-28-20)22(31)26-17(12-21(30)24(33)34)10-16-9-8-15(11-18(16)25)14-6-4-3-5-7-14/h3-9,11,13,17,21,30H,10,12H2,1-2H3,(H,26,31)(H,27,28)(H,33,34)/t17-,21-/m1/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459422
PNG
(US10759813, Example 20-6)
Show SMILES COCCN(C)C(=O)c1cc([nH]n1)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1Cl)-c1ccccc1
Show InChI InChI=1S/C26H29ClN4O6/c1-31(10-11-37-2)25(34)22-15-21(29-30-22)24(33)28-19(14-23(32)26(35)36)12-18-9-8-17(13-20(18)27)16-6-4-3-5-7-16/h3-9,13,15,19,23,32H,10-12,14H2,1-2H3,(H,28,33)(H,29,30)(H,35,36)/t19-,23-/m1/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459423
PNG
(US10759813, Example 20-7)
Show SMILES CC(=O)c1cc([nH]n1)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1Cl)-c1ccccc1
Show InChI InChI=1S/C23H22ClN3O5/c1-13(28)19-12-20(27-26-19)22(30)25-17(11-21(29)23(31)32)9-16-8-7-15(10-18(16)24)14-5-3-2-4-6-14/h2-8,10,12,17,21,29H,9,11H2,1H3,(H,25,30)(H,26,27)(H,31,32)/t17-,21-/m1/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459424
PNG
(US10759813, Example 20-8)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1Cl)-c1ccccc1)NC(=O)c1cc(n[nH]1)-c1cccnc1)C(O)=O
Show InChI InChI=1S/C26H23ClN4O4/c27-21-12-17(16-5-2-1-3-6-16)8-9-18(21)11-20(13-24(32)26(34)35)29-25(33)23-14-22(30-31-23)19-7-4-10-28-15-19/h1-10,12,14-15,20,24,32H,11,13H2,(H,29,33)(H,30,31)(H,34,35)/t20-,24-/m1/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459426
PNG
(US10759813, Example 21-1)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1Cl)-c1cccc(Cl)c1)NC(=O)c1cnn[nH]1)C(O)=O
Show InChI InChI=1S/C20H18Cl2N4O4/c21-14-3-1-2-11(6-14)12-4-5-13(16(22)8-12)7-15(9-18(27)20(29)30)24-19(28)17-10-23-26-25-17/h1-6,8,10,15,18,27H,7,9H2,(H,24,28)(H,29,30)(H,23,25,26)/t15-,18-/m1/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459427
PNG
(US10759813, Example 21-2)
Show SMILES COCc1cc([nH]n1)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1Cl)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2N3O5/c1-33-12-18-10-20(28-27-18)22(30)26-17(11-21(29)23(31)32)8-15-6-5-14(9-19(15)25)13-3-2-4-16(24)7-13/h2-7,9-10,17,21,29H,8,11-12H2,1H3,(H,26,30)(H,27,28)(H,31,32)/t17-,21-/m1/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459428
PNG
((2R,4R)-5-(5′-Chloro-2′-fluorobiphenyl...)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1ccc2nnn(O)c2c1)C(O)=O |r|
Show InChI InChI=1S/C24H20ClFN4O5/c25-16-6-7-19(26)18(11-16)14-3-1-13(2-4-14)9-17(12-22(31)24(33)34)27-23(32)15-5-8-20-21(10-15)30(35)29-28-20/h1-8,10-11,17,22,31,35H,9,12H2,(H,27,32)(H,33,34)/t17-,22-/m1/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459429
PNG
(US10759813, Example 23-1)
Show SMILES Cc1cccc(c1)-c1ccc(C[C@@H](C[C@H](O)C(O)=O)NC(=O)c2ccc3nnn(O)c3c2)cc1
Show InChI InChI=1S/C25H24N4O5/c1-15-3-2-4-18(11-15)17-7-5-16(6-8-17)12-20(14-23(30)25(32)33)26-24(31)19-9-10-21-22(13-19)29(34)28-27-21/h2-11,13,20,23,30,34H,12,14H2,1H3,(H,26,31)(H,32,33)/t20-,23-/m0/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459430
PNG
(US10759813, Example 23-2)
Show SMILES Cc1ccc(Cl)cc1-c1ccc(C[C@@H](C[C@H](O)C(O)=O)NC(=O)c2ccc3NNN(O)c3c2)cc1
Show InChI InChI=1S/C25H25ClN4O5/c1-14-2-8-18(26)12-20(14)16-5-3-15(4-6-16)10-19(13-23(31)25(33)34)27-24(32)17-7-9-21-22(11-17)30(35)29-28-21/h2-9,11-12,19,23,28-29,31,35H,10,13H2,1H3,(H,27,32)(H,33,34)/t19-,23-/m0/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459431
PNG
(US10759813, Example 23-3)
Show SMILES COc1ccccc1-c1ccc(C[C@@H](C[C@H](O)C(O)=O)NC(=O)c2ccc3nnn(O)c3c2)cc1
Show InChI InChI=1S/C25H24N4O6/c1-35-23-5-3-2-4-19(23)16-8-6-15(7-9-16)12-18(14-22(30)25(32)33)26-24(31)17-10-11-20-21(13-17)29(34)28-27-20/h2-11,13,18,22,30,34H,12,14H2,1H3,(H,26,31)(H,32,33)/t18-,22-/m0/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459432
PNG
(US10759813, Example 23-4)
Show SMILES O[C@@H](C[C@H](Cc1ccc(cc1)-c1cc(Cl)ccc1Cl)NC(=O)c1ccc2nnn(O)c2c1)C(O)=O
Show InChI InChI=1S/C24H20Cl2N4O5/c25-16-6-7-19(26)18(11-16)14-3-1-13(2-4-14)9-17(12-22(31)24(33)34)27-23(32)15-5-8-20-21(10-15)30(35)29-28-20/h1-8,10-11,17,22,31,35H,9,12H2,(H,27,32)(H,33,34)/t17-,22-/m0/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM459433
PNG
(US10759813, Example 23-8)
Show SMILES O[C@@H](C[C@H](Cc1ccc(cc1)-c1cc(O)cc(Cl)c1)NC(=O)c1ccc2nnn(O)c2c1)C(O)=O
Show InChI InChI=1S/C24H21ClN4O6/c25-17-8-16(9-19(30)11-17)14-3-1-13(2-4-14)7-18(12-22(31)24(33)34)26-23(32)15-5-6-20-21(10-15)29(35)28-27-20/h1-6,8-11,18,22,30-31,35H,7,12H2,(H,26,32)(H,33,34)/t18-,22-/m0/s1
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Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10759813 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NW0
More data for this
Ligand-Target Pair
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