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Compile Data Set for Download or QSAR

Found 820 hits of ki data for polymerid = 2174,6595   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neprilysin


(Homo sapiens (Human))
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))
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


(Oryctolagus cuniculus (rabbit))
BDBM21653
PNG
((2S)-2-[(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28)/t18-,19+,21-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vitro inhibition of Neutral endopeptidase.


Bioorg Med Chem Lett 12: 2001-5 (2002)


BindingDB Entry DOI: 10.7270/Q27080S4
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM21653
PNG
((2S)-2-[(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C23H24N2O3S/c26-22(19(13-29)18-10-9-14-5-1-2-6-16(14)18)25-21(23(27)28)11-15-12-24-20-8-4-3-7-17(15)20/h1-8,12,18-19,21,24,29H,9-11,13H2,(H,25,26)(H,27,28)/t18-,19+,21-/m0/s1
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0.700 -13.0n/an/an/an/an/a7.437



CNRS



Assay Description
NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp...


J Med Chem 45: 1477-86 (2002)


Article DOI: 10.1021/jm0005454
BindingDB Entry DOI: 10.7270/Q2T72FQ1
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


(Oryctolagus cuniculus (rabbit))
BDBM50087104
PNG
(C-{[3-Biphenyl-4-yl-2-(carboxymethyl-carbamoyl)-pr...)
Show SMILES [NH3+][C@H](c1ccccc1)P(O)(=O)C[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C25H27N2O5P/c26-24(21-9-5-2-6-10-21)33(31,32)17-22(25(30)27-16-23(28)29)15-18-11-13-20(14-12-18)19-7-3-1-4-8-19/h1-14,22,24H,15-17,26H2,(H,27,30)(H,28,29)(H,31,32)/p+1/t22-,24+/m1/s1
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0.940n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate.


J Med Chem 43: 1398-408 (2001)


BindingDB Entry DOI: 10.7270/Q2TQ627J
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298292
PNG
(US10123984, Example 2T | US10744104, Example 2T | ...)
Show SMILES COCCOC(=O)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C22H24ClNO7/c1-30-9-10-31-22(29)20(26)24-18(13-19(25)21(27)28)11-14-5-7-15(8-6-14)16-3-2-4-17(23)12-16/h2-8,12,18-19,25H,9-11,13H2,1H3,(H,24,26)(H,27,28)/t18-,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 US10744104 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VT4
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298293
PNG
(US10123984, Example 2U | US10744104, Example 2U | ...)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)C(=O)OCCOc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C27H26ClNO7/c28-21-6-4-5-20(16-21)19-11-9-18(10-12-19)15-22(17-24(30)26(32)33)29-25(31)27(34)36-14-13-35-23-7-2-1-3-8-23/h1-12,16,22,24,30H,13-15,17H2,(H,29,31)(H,32,33)/t22-,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 US10744104 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VT4
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298294
PNG
(US10123984, Example 2V | US10744104, Example 2V | ...)
Show SMILES CCOCCCOC(=O)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C24H28ClNO7/c1-2-32-11-4-12-33-24(31)22(28)26-20(15-21(27)23(29)30)13-16-7-9-17(10-8-16)18-5-3-6-19(25)14-18/h3,5-10,14,20-21,27H,2,4,11-13,15H2,1H3,(H,26,28)(H,29,30)/t20-,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 US10744104 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VT4
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298295
PNG
(BDBM582703 | US10123984, Example 3A | US10123984, ...)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1Cl)NC(=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H17Cl2NO6/c20-12-5-6-15(21)14(8-12)11-3-1-10(2-4-11)7-13(9-16(23)18(25)26)22-17(24)19(27)28/h1-6,8,13,16,23H,7,9H2,(H,22,24)(H,25,26)(H,27,28)/t13-,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 US10744104 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VT4
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM458399
PNG
(US10744104, Example 3D | US20230285340, Example 3D)
Show SMILES CC(C)COC(=O)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C23H25Cl2NO6/c1-13(2)12-32-23(31)21(28)26-17(11-20(27)22(29)30)9-14-3-5-15(6-4-14)18-10-16(24)7-8-19(18)25/h3-8,10,13,17,20,27H,9,11-12H2,1-2H3,(H,26,28)(H,29,30)/t17-,20-/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 US10744104 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VT4
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM458388
PNG
(US10744104, Example 1 | US10744104, Example 5-1 | ...)
Show SMILES OC(CC(Cc1ccc(cc1)-c1ccccc1)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H19NO6/c21-16(18(23)24)11-15(20-17(22)19(25)26)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15-16,21H,10-11H2,(H,20,22)(H,23,24)(H,25,26)
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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 US10744104 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VT4
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM458402
PNG
(US10744104, Example 5-5 | US20230285340, Example 5...)
Show SMILES OC(CC(Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H17ClFNO6/c20-12-5-6-15(21)14(8-12)11-3-1-10(2-4-11)7-13(9-16(23)18(25)26)22-17(24)19(27)28/h1-6,8,13,16,23H,7,9H2,(H,22,24)(H,25,26)(H,27,28)
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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 US10744104 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VT4
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM458403
PNG
(US10744104, Example 5-9)
Show SMILES COC(=O)C(O)CC(Cc1ccc(c(Cl)c1)-c1cccc(Cl)c1)NC(=O)C(O)=O
Show InChI InChI=1S/C20H19Cl2NO6/c1-29-20(28)17(24)10-14(23-18(25)19(26)27)7-11-5-6-15(16(22)8-11)12-3-2-4-13(21)9-12/h2-6,8-9,14,17,24H,7,10H2,1H3,(H,23,25)(H,26,27)
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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 US10744104 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VT4
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM458404
PNG
(US10744104, Example 5-13)
Show SMILES COC(=O)C(O)CC(Cc1ccc(c(Cl)c1)-c1cc(Cl)ccc1F)NC(=O)C(O)=O
Show InChI InChI=1S/C20H18Cl2FNO6/c1-30-20(29)17(25)9-12(24-18(26)19(27)28)6-10-2-4-13(15(22)7-10)14-8-11(21)3-5-16(14)23/h2-5,7-8,12,17,25H,6,9H2,1H3,(H,24,26)(H,27,28)
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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 US10744104 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VT4
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM458405
PNG
(US10744104, Example 5-14 | US20230285340, Example ...)
Show SMILES CCOC(=O)C(=O)NC(CC(O)C(O)=O)Cc1ccc(cc1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C21H21ClFNO6/c1-2-30-21(29)19(26)24-15(11-18(25)20(27)28)9-12-3-5-13(6-4-12)16-10-14(22)7-8-17(16)23/h3-8,10,15,18,25H,2,9,11H2,1H3,(H,24,26)(H,27,28)
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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 US10744104 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VT4
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM458406
PNG
((2R,4R)-5-(3-Chlorobiphenyl-4-yl)-2-hydroxy-4-(oxa...)
Show SMILES CC(C)COC(=O)C(=O)NC(CC(O)C(O)=O)Cc1ccc(cc1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H25ClFNO6/c1-13(2)12-32-23(31)21(28)26-17(11-20(27)22(29)30)9-14-3-5-15(6-4-14)18-10-16(24)7-8-19(18)25/h3-8,10,13,17,20,27H,9,11-12H2,1-2H3,(H,26,28)(H,29,30)
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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 US10744104 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VT4
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM458407
PNG
(US10744104, Example 5-17)
Show SMILES CC(C)COC(=O)C(=O)NC(CC(O)C(O)=O)Cc1ccc(c(Cl)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25Cl2NO6/c1-13(2)12-32-23(31)21(28)26-17(11-20(27)22(29)30)9-14-3-8-18(19(25)10-14)15-4-6-16(24)7-5-15/h3-8,10,13,17,20,27H,9,11-12H2,1-2H3,(H,26,28)(H,29,30)
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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 US10744104 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VT4
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298305
PNG
(US10123984, Example 6A | US10744104, Example 6A | ...)
Show SMILES OC[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C20H21NO6/c22-12-16(19(24)25)11-17(21-18(23)20(26)27)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-17,22H,10-12H2,(H,21,23)(H,24,25)(H,26,27)/t16-,17+/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 US10744104 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VT4
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM458409
PNG
(US10744104, Example 7B | US11547687, Example 8-3 |...)
Show SMILES OC[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1F)NC(=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C20H20FNO6/c21-17-4-2-1-3-16(17)13-7-5-12(6-8-13)9-15(22-18(24)20(27)28)10-14(11-23)19(25)26/h1-8,14-15,23H,9-11H2,(H,22,24)(H,25,26)(H,27,28)/t14-,15+/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 US10744104 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VT4
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298307
PNG
(US10123984, Example 8-2 | US10744104, Example 8-2 ...)
Show SMILES OCC(CC(Cc1ccc(cc1)-c1ccccc1F)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H20FNO6/c21-17-4-2-1-3-16(17)13-7-5-12(6-8-13)9-15(22-18(24)20(27)28)10-14(11-23)19(25)26/h1-8,14-15,23H,9-11H2,(H,22,24)(H,25,26)(H,27,28)
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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 US10744104 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VT4
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298308
PNG
(US10123984, Example 8-3 | US10744104, Example 8-3 ...)
Show SMILES OCC(CC(Cc1ccc(cc1)-c1ccccc1Cl)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H20ClNO6/c21-17-4-2-1-3-16(17)13-7-5-12(6-8-13)9-15(22-18(24)20(27)28)10-14(11-23)19(25)26/h1-8,14-15,23H,9-11H2,(H,22,24)(H,25,26)(H,27,28)
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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 US10744104 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VT4
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM458416
PNG
(US10744104, Example 11-2 | US20230285340, Example ...)
Show SMILES C[C@@](CO)(C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C21H21ClFNO6/c1-21(11-25,20(29)30)10-15(24-18(26)19(27)28)8-12-2-4-13(5-3-12)16-9-14(22)6-7-17(16)23/h2-7,9,15,25H,8,10-11H2,1H3,(H,24,26)(H,27,28)(H,29,30)/t15-,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 US10744104 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VT4
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM458421
PNG
(US10744104, Example 14A | US11547687, Example 14A ...)
Show SMILES O[C@H](CN(Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C18H16ClFN2O6/c19-12-5-6-14(20)13(7-12)11-3-1-10(2-4-11)8-22(9-15(23)17(25)26)21-16(24)18(27)28/h1-7,15,23H,8-9H2,(H,21,24)(H,25,26)(H,27,28)/t15-/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 US10744104 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VT4
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))
BDBM459368
PNG
(US10759813, Example 16-1)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1cc2-c3ccccc3OCCn2n1)C(O)=O
Show InChI InChI=1S/C29H27N3O5/c33-26(29(35)36)17-22(16-19-10-12-21(13-11-19)20-6-2-1-3-7-20)30-28(34)24-18-25-23-8-4-5-9-27(23)37-15-14-32(25)31-24/h1-13,18,22,26,33H,14-17H2,(H,30,34)(H,35,36)/t22-,26-/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))
BDBM459374
PNG
(US10759813, Example 17-A)
Show SMILES CCOC(=O)[C@H](O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cn(O)nn1 |r|
Show InChI InChI=1S/C22H23ClN4O5/c1-2-32-22(30)20(28)12-18(24-21(29)19-13-27(31)26-25-19)10-14-6-8-15(9-7-14)16-4-3-5-17(23)11-16/h3-9,11,13,18,20,28,31H,2,10,12H2,1H3,(H,24,29)/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))
BDBM459375
PNG
(US10759813, Example 18-2)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1c[nH]nn1)C(O)=O
Show InChI InChI=1S/C20H19ClN4O4/c21-15-3-1-2-14(9-15)13-6-4-12(5-7-13)8-16(10-18(26)20(28)29)23-19(27)17-11-22-25-24-17/h1-7,9,11,16,18,26H,8,10H2,(H,23,27)(H,28,29)(H,22,24,25)/t16-,18-/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))
BDBM459376
PNG
(US10759813, Example 18-3)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1ccc2nnn(O)c2c1)C(O)=O
Show InChI InChI=1S/C24H21ClN4O5/c25-18-3-1-2-16(11-18)15-6-4-14(5-7-15)10-19(13-22(30)24(32)33)26-23(31)17-8-9-20-21(12-17)29(34)28-27-20/h1-9,11-12,19,22,30,34H,10,13H2,(H,26,31)(H,32,33)/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))
BDBM459377
PNG
(US10759813, Example 18-7)
Show SMILES CC(=O)c1cc(on1)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H21ClN2O6/c1-13(27)19-12-21(32-26-19)22(29)25-18(11-20(28)23(30)31)9-14-5-7-15(8-6-14)16-3-2-4-17(24)10-16/h2-8,10,12,18,20,28H,9,11H2,1H3,(H,25,29)(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))
BDBM459378
PNG
(US10759813, Example 18-8)
Show SMILES COc1cc(on1)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H21ClN2O6/c1-30-20-12-19(31-25-20)21(27)24-17(11-18(26)22(28)29)9-13-5-7-14(8-6-13)15-3-2-4-16(23)10-15/h2-8,10,12,17-18,26H,9,11H2,1H3,(H,24,27)(H,28,29)/t17-,18-/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))
BDBM459379
PNG
(US10759813, Example 18-9)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(Cl)no1)C(O)=O
Show InChI InChI=1S/C21H18Cl2N2O5/c22-15-3-1-2-14(9-15)13-6-4-12(5-7-13)8-16(10-17(26)21(28)29)24-20(27)18-11-19(23)25-30-18/h1-7,9,11,16-17,26H,8,10H2,(H,24,27)(H,28,29)/t16-,17-/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))
BDBM459380
PNG
(US10759813, Example 18-10)
Show SMILES CC(C)c1cc(on1)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C24H25ClN2O5/c1-14(2)20-13-22(32-27-20)23(29)26-19(12-21(28)24(30)31)10-15-6-8-16(9-7-15)17-4-3-5-18(25)11-17/h3-9,11,13-14,19,21,28H,10,12H2,1-2H3,(H,26,29)(H,30,31)/t19-,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))
BDBM459381
PNG
(US10759813, Example 18-11)
Show SMILES CCCc1cc(on1)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C24H25ClN2O5/c1-2-4-19-14-22(32-27-19)23(29)26-20(13-21(28)24(30)31)11-15-7-9-16(10-8-15)17-5-3-6-18(25)12-17/h3,5-10,12,14,20-21,28H,2,4,11,13H2,1H3,(H,26,29)(H,30,31)/t20-,21-/m1/s1
PDB

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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))
BDBM459382
PNG
(US10759813, Example 18-12)
Show SMILES CC(C)Cc1cc(on1)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H27ClN2O5/c1-15(2)10-21-14-23(33-28-21)24(30)27-20(13-22(29)25(31)32)11-16-6-8-17(9-7-16)18-4-3-5-19(26)12-18/h3-9,12,14-15,20,22,29H,10-11,13H2,1-2H3,(H,27,30)(H,31,32)/t20-,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))
BDBM459383
PNG
(US10759813, Example 18-13)
Show SMILES CC(C)(O)c1cc(on1)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C24H25ClN2O6/c1-24(2,32)21-13-20(33-27-21)22(29)26-18(12-19(28)23(30)31)10-14-6-8-15(9-7-14)16-4-3-5-17(25)11-16/h3-9,11,13,18-19,28,32H,10,12H2,1-2H3,(H,26,29)(H,30,31)/t18-,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))
BDBM459384
PNG
(US10759813, Example 18-14)
Show SMILES CC(C)(C)c1cc(on1)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C25H27ClN2O5/c1-25(2,3)22-14-21(33-28-22)23(30)27-19(13-20(29)24(31)32)11-15-7-9-16(10-8-15)17-5-4-6-18(26)12-17/h4-10,12,14,19-20,29H,11,13H2,1-3H3,(H,27,30)(H,31,32)/t19-,20-/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))
BDBM459385
PNG
(US10759813, Example 18-15)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(on1)-c1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C27H22Cl2N2O5/c28-19-5-3-4-18(13-19)17-10-8-16(9-11-17)12-20(14-24(32)27(34)35)30-26(33)23-15-25(36-31-23)21-6-1-2-7-22(21)29/h1-11,13,15,20,24,32H,12,14H2,(H,30,33)(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))
BDBM459386
PNG
(US10759813, Example 18-16)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(on1)-c1ccccc1O)C(O)=O
Show InChI InChI=1S/C27H23ClN2O6/c28-19-5-3-4-18(13-19)17-10-8-16(9-11-17)12-20(14-24(32)27(34)35)29-26(33)22-15-25(36-30-22)21-6-1-2-7-23(21)31/h1-11,13,15,20,24,31-32H,12,14H2,(H,29,33)(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))
BDBM459387
PNG
(US10759813, Example 18-17)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(n[nH]1)-c1ccccc1O)C(O)=O
Show InChI InChI=1S/C27H24ClN3O5/c28-19-5-3-4-18(13-19)17-10-8-16(9-11-17)12-20(14-25(33)27(35)36)29-26(34)23-15-22(30-31-23)21-6-1-2-7-24(21)32/h1-11,13,15,20,25,32-33H,12,14H2,(H,29,34)(H,30,31)(H,35,36)/t20-,25-/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))
BDBM459388
PNG
(US10759813, Example 18-19)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(n[nH]1)-c1cnccn1)C(O)=O
Show InChI InChI=1S/C25H22ClN5O4/c26-18-3-1-2-17(11-18)16-6-4-15(5-7-16)10-19(12-23(32)25(34)35)29-24(33)21-13-20(30-31-21)22-14-27-8-9-28-22/h1-9,11,13-14,19,23,32H,10,12H2,(H,29,33)(H,30,31)(H,34,35)/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))
BDBM459389
PNG
(US10759813, Example 18-23)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(n[nH]1)-c1ccccn1)C(O)=O
Show InChI InChI=1S/C26H23ClN4O4/c27-19-5-3-4-18(13-19)17-9-7-16(8-10-17)12-20(14-24(32)26(34)35)29-25(33)23-15-22(30-31-23)21-6-1-2-11-28-21/h1-11,13,15,20,24,32H,12,14H2,(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))
BDBM459390
PNG
(US10759813, Example 18-27)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(NC(=O)c2ccccc2Cl)n[nH]1)C(O)=O
Show InChI InChI=1S/C28H24Cl2N4O5/c29-19-5-3-4-18(13-19)17-10-8-16(9-11-17)12-20(14-24(35)28(38)39)31-27(37)23-15-25(34-33-23)32-26(36)21-6-1-2-7-22(21)30/h1-11,13,15,20,24,35H,12,14H2,(H,31,37)(H,38,39)(H2,32,33,34,36)/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))
BDBM459391
PNG
(US10759813, Example 18-31)
Show SMILES COc1ccccc1C(=O)Nc1cc([nH]n1)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C29H27ClN4O6/c1-40-25-8-3-2-7-22(25)27(36)32-26-16-23(33-34-26)28(37)31-21(15-24(35)29(38)39)13-17-9-11-18(12-10-17)19-5-4-6-20(30)14-19/h2-12,14,16,21,24,35H,13,15H2,1H3,(H,31,37)(H,38,39)(H2,32,33,34,36)/t21-,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
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