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Patent code US10123984

Compile Data Set for Download or QSAR
Found 50 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neprilysin


(Homo sapiens (Human))
BDBM298299
PNG
(US10123984, Example 5-5)
Show SMILES OC(CC(Cc1cc(Cl)c(cc1F)-c1cc(Cl)ccc1F)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H15Cl2F2NO6/c20-9-1-2-14(22)12(5-9)11-7-15(23)8(4-13(11)21)3-10(6-16(25)18(27)28)24-17(26)19(29)30/h1-2,4-5,7,10,16,25H,3,6H2,(H,24,26)(H,27,28)(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
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298308
PNG
(US10123984, 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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298301
PNG
(US10123984, Example 5-13)
Show SMILES OC(CC(Cc1ccc(c(Cl)c1)-c1cc(Cl)ccc1F)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H16Cl2FNO6/c20-10-2-4-15(22)13(7-10)12-3-1-9(6-14(12)21)5-11(8-16(24)18(26)27)23-17(25)19(28)29/h1-4,6-7,11,16,24H,5,8H2,(H,23,25)(H,26,27)(H,28,29)
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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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298300
PNG
(US10123984, Example 5-9)
Show SMILES OC(CC(Cc1ccc(c(Cl)c1)-c1cccc(Cl)c1)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H17Cl2NO6/c20-12-3-1-2-11(8-12)14-5-4-10(7-15(14)21)6-13(9-16(23)18(25)26)22-17(24)19(27)28/h1-5,7-8,13,16,23H,6,9H2,(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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298305
PNG
(US10123984, Example 6A)
Show SMILES OC[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)C(O)=O)C(O)=O
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298304
PNG
(US10123984, Example 5-17)
Show SMILES CC(C)COC(=O)C(=O)NC(CC(O)C(O)=O)Cc1ccc(c(Cl)c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H25Cl2NO6/c1-13(2)12-32-23(31)21(28)26-17(11-20(27)22(29)30)8-14-6-7-18(19(25)9-14)15-4-3-5-16(24)10-15/h3-7,9-10,13,17,20,27H,8,11-12H2,1-2H3,(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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298295
PNG
(US10123984, Example 3A | US10123984, Example 3D)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1Cl)NC(=O)C(O)=O)C(O)=O
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298288
PNG
(US10123984, Example 2H)
Show SMILES CC(C)COC(=O)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C23H26ClNO6/c1-14(2)13-31-23(30)21(27)25-19(12-20(26)22(28)29)10-15-6-8-16(9-7-15)17-4-3-5-18(24)11-17/h3-9,11,14,19-20,26H,10,12-13H2,1-2H3,(H,25,27)(H,28,29)/t19-,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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298286
PNG
(US10123984, Example 2F)
Show SMILES CCOC(=O)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H22ClNO6/c1-2-29-21(28)19(25)23-17(12-18(24)20(26)27)10-13-6-8-14(9-7-13)15-4-3-5-16(22)11-15/h3-9,11,17-18,24H,2,10,12H2,1H3,(H,23,25)(H,26,27)/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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298294
PNG
(US10123984, Example 2V)
Show SMILES CCOCCCOC(=O)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298303
PNG
(US10123984, Example 5-15)
Show SMILES CC(C)OC(=O)C(=O)NC(CC(O)C(O)=O)Cc1cc(Cl)c(cc1F)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C22H21Cl2F2NO6/c1-10(2)33-22(32)20(29)27-13(8-19(28)21(30)31)5-11-6-16(24)14(9-18(11)26)15-7-12(23)3-4-17(15)25/h3-4,6-7,9-10,13,19,28H,5,8H2,1-2H3,(H,27,29)(H,30,31)
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<1n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298317
PNG
(US10123984, Example 11-2)
Show SMILES C[C@@](CO)(C[C@@H](Cc1ccc(cc1)-c1cc(Cl)c(cc1F)-c1cc(Cl)ccc1F)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C27H23Cl2F2NO6/c1-27(13-33,26(37)38)12-17(32-24(34)25(35)36)8-14-2-4-15(5-3-14)18-10-21(29)19(11-23(18)31)20-9-16(28)6-7-22(20)30/h2-7,9-11,17,33H,8,12-13H2,1H3,(H,32,34)(H,35,36)(H,37,38)/t17-,27+/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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298293
PNG
(US10123984, Example 2U)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)C(=O)OCCOc1ccccc1)C(O)=O
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298306
PNG
(US10123984, Example 7B)
Show SMILES CCCCOC(=O)[C@H](CO)C[C@@H](Cc1ccc(cc1)-c1ccccc1F)NC(=O)C(O)=O
Show InChI InChI=1S/C24H28FNO6/c1-2-3-12-32-24(31)18(15-27)14-19(26-22(28)23(29)30)13-16-8-10-17(11-9-16)20-6-4-5-7-21(20)25/h4-11,18-19,27H,2-3,12-15H2,1H3,(H,26,28)(H,29,30)/t18-,19+/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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298285
PNG
(US10123984, Example 2A)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)C(O)=O)C(O)=O
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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<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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298298
PNG
(US10123984, Example 5-1)
Show SMILES Cc1ccc(Cl)cc1-c1cc(C)c(CC(CC(O)C(O)=O)NC(=O)C(O)=O)cc1Cl
Show InChI InChI=1S/C21H21Cl2NO6/c1-10-3-4-13(22)8-15(10)16-5-11(2)12(7-17(16)23)6-14(9-18(25)20(27)28)24-19(26)21(29)30/h3-5,7-8,14,18,25H,6,9H2,1-2H3,(H,24,26)(H,27,28)(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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298291
PNG
(US10123984, Example 2N)
Show SMILES N[C@@H](C[C@@H](O)C(=O)OCc1ccccc1)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C24H24ClNO3/c25-21-8-4-7-20(14-21)19-11-9-17(10-12-19)13-22(26)15-23(27)24(28)29-16-18-5-2-1-3-6-18/h1-12,14,22-23,27H,13,15-16,26H2/t22-,23-/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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298295
PNG
(US10123984, Example 3A | US10123984, Example 3D)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1Cl)NC(=O)C(O)=O)C(O)=O
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298307
PNG
(US10123984, 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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298292
PNG
(US10123984, Example 2T)
Show SMILES COCCOC(=O)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
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
PDB

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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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298322
PNG
(US10123984, Example 14A | US10123984, Example 14C ...)
Show SMILES CCOC(=O)[C@@H](CN(Cc1ccc(Br)cc1)NC(=O)C(=O)OCC)OC(=O)C(=O)OCC
Show InChI InChI=1S/C20H25BrN2O9/c1-4-29-17(25)15(32-20(28)19(27)31-6-3)12-23(22-16(24)18(26)30-5-2)11-13-7-9-14(21)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3,(H,22,24)/t15-/m1/s1
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298302
PNG
(US10123984, Example 5-14)
Show SMILES CCOC(=O)C(=O)NC(CC(O)C(O)=O)Cc1cc(Cl)c(cc1F)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C21H19Cl2F2NO6/c1-2-32-21(31)19(28)26-12(8-18(27)20(29)30)5-10-6-15(23)13(9-17(10)25)14-7-11(22)3-4-16(14)24/h3-4,6-7,9,12,18,27H,2,5,8H2,1H3,(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
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298309
PNG
(US10123984, Example 8-4)
Show SMILES OCC(CC(Cc1ccc(cc1)-c1ccc(F)cc1)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H20FNO6/c21-16-7-5-14(6-8-16)13-3-1-12(2-4-13)9-17(22-18(24)20(27)28)10-15(11-23)19(25)26/h1-8,15,17,23H,9-11H2,(H,22,24)(H,25,26)(H,27,28)
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3.55n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298312
PNG
(US10123984, Example 9A)
Show SMILES C[C@@](CO)(C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H23NO6/c1-21(13-23,20(27)28)12-17(22-18(24)19(25)26)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,17,23H,11-13H2,1H3,(H,22,24)(H,25,26)(H,27,28)/t17-,21+/m1/s1
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298287
PNG
(US10123984, Example 2G)
Show SMILES CC(C)OC(=O)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C22H24ClNO6/c1-13(2)30-22(29)20(26)24-18(12-19(25)21(27)28)10-14-6-8-15(9-7-14)16-4-3-5-17(23)11-16/h3-9,11,13,18-19,25H,10,12H2,1-2H3,(H,24,26)(H,27,28)/t18-,19-/m1/s1
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298310
PNG
(US10123984, Example 8-5)
Show SMILES OCC(CC(Cc1ccc(cc1Cl)-c1ccccc1)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H20ClNO6/c21-17-10-13(12-4-2-1-3-5-12)6-7-14(17)8-16(22-18(24)20(27)28)9-15(11-23)19(25)26/h1-7,10,15-16,23H,8-9,11H2,(H,22,24)(H,25,26)(H,27,28)
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3.55n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298315
PNG
((2S,4R)-5-(3'-Fluorobiphenyl-4-yl)-2-hydroxymethyl...)
Show SMILES C[C@@](CO)(C[C@@H](Cc1ccc(cc1)-c1cccc(F)c1)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H22FNO6/c1-21(12-24,20(28)29)11-17(23-18(25)19(26)27)9-13-5-7-14(8-6-13)15-3-2-4-16(22)10-15/h2-8,10,17,24H,9,11-12H2,1H3,(H,23,25)(H,26,27)(H,28,29)/t17-,21+/m1/s1
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298322
PNG
(US10123984, Example 14A | US10123984, Example 14C ...)
Show SMILES CCOC(=O)[C@@H](CN(Cc1ccc(Br)cc1)NC(=O)C(=O)OCC)OC(=O)C(=O)OCC
Show InChI InChI=1S/C20H25BrN2O9/c1-4-29-17(25)15(32-20(28)19(27)31-6-3)12-23(22-16(24)18(26)30-5-2)11-13-7-9-14(21)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3,(H,22,24)/t15-/m1/s1
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298326
PNG
(US10123984, Example 16)
Show SMILES CC(C)([C@H](C[C@@H](CO)C(O)=O)NC(=O)C(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H25NO6/c1-22(2,17-10-8-15(9-11-17)14-6-4-3-5-7-14)18(23-19(25)21(28)29)12-16(13-24)20(26)27/h3-11,16,18,24H,12-13H2,1-2H3,(H,23,25)(H,26,27)(H,28,29)/t16-,18-/m0/s1
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298319
PNG
(US10123984, Example 11-4)
Show SMILES CC(C)COC(=O)C(=O)N[C@H](Cc1ccc(cc1)-c1cccc(Cl)c1)C[C@@](C)(CO)C(O)=O
Show InChI InChI=1S/C25H30ClNO6/c1-16(2)14-33-23(30)22(29)27-21(13-25(3,15-28)24(31)32)11-17-7-9-18(10-8-17)19-5-4-6-20(26)12-19/h4-10,12,16,21,28H,11,13-15H2,1-3H3,(H,27,29)(H,31,32)/t21-,25+/m1/s1
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298316
PNG
(US10123984, Example 11-1)
Show SMILES C[C@@](CO)(C[C@@H](Cc1ccc(cc1)-c1ccccc1F)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H22FNO6/c1-21(12-24,20(28)29)11-15(23-18(25)19(26)27)10-13-6-8-14(9-7-13)16-4-2-3-5-17(16)22/h2-9,15,24H,10-12H2,1H3,(H,23,25)(H,26,27)(H,28,29)/t15-,21+/m1/s1
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298321
PNG
((R)-3-[N-(3′-Chlorobiphenyl-4-ylmethyl)-N...)
Show SMILES O[C@H](CN(Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H17ClN2O6/c19-14-3-1-2-13(8-14)12-6-4-11(5-7-12)9-21(10-15(22)17(24)25)20-16(23)18(26)27/h1-8,15,22H,9-10H2,(H,20,23)(H,24,25)(H,26,27)/t15-/m1/s1
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298297
PNG
((2R,4R)-5-(3-Chlorobiphenyl-4-yl)-2-hydroxy-4-(oxa...)
Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1Cl)-c1ccccc1)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H18ClNO6/c20-15-9-12(11-4-2-1-3-5-11)6-7-13(15)8-14(10-16(22)18(24)25)21-17(23)19(26)27/h1-7,9,14,16,22H,8,10H2,(H,21,23)(H,24,25)(H,26,27)/t14-,16-/m1/s1
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298322
PNG
(US10123984, Example 14A | US10123984, Example 14C ...)
Show SMILES CCOC(=O)[C@@H](CN(Cc1ccc(Br)cc1)NC(=O)C(=O)OCC)OC(=O)C(=O)OCC
Show InChI InChI=1S/C20H25BrN2O9/c1-4-29-17(25)15(32-20(28)19(27)31-6-3)12-23(22-16(24)18(26)30-5-2)11-13-7-9-14(21)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3,(H,22,24)/t15-/m1/s1
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298289
PNG
(US10123984, Example 2I)
Show SMILES CC(C)COC(=O)[C@H](O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)C(O)=O
Show InChI InChI=1S/C23H26ClNO6/c1-14(2)13-31-23(30)20(26)12-19(25-21(27)22(28)29)10-15-6-8-16(9-7-15)17-4-3-5-18(24)11-17/h3-9,11,14,19-20,26H,10,12-13H2,1-2H3,(H,25,27)(H,28,29)/t19-,20-/m1/s1
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298328
PNG
(US10123984, Comparative Compound B)
Show SMILES C[C@H](C[C@H](NC(=O)CCC(O)=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C21H23NO5/c1-14(21(26)27)13-18(22-19(23)11-12-20(24)25)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,14,18H,11-13H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t14-,18+/m1/s1
PDB

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6.31n/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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298327
PNG
(US10123984, Comparative Compound A )
Show SMILES C[C@H](C[C@H](NC(=O)C(O)=O)c1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C19H19NO5/c1-12(18(22)23)11-16(20-17(21)19(24)25)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,20,21)(H,22,23)(H,24,25)/t12-,16+/m1/s1
PDB

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6.31n/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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298320
PNG
(3-(N-Biphenyl-4-ylmethyl-N′-oxalylhydrazino)...)
Show SMILES CC(O)(CN(Cc1ccc(cc1)-c1ccccc1)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C19H20N2O6/c1-19(27,18(25)26)12-21(20-16(22)17(23)24)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,27H,11-12H2,1H3,(H,20,22)(H,23,24)(H,25,26)
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298325
PNG
((2R,4S)-5-Biphenyl-4-yl-2-hydroxy-5-methyl-4-(oxal...)
Show SMILES CC(C)([C@H](C[C@@H](O)C(O)=O)NC(=O)C(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H23NO6/c1-21(2,17(12-16(23)19(25)26)22-18(24)20(27)28)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16-17,23H,12H2,1-2H3,(H,22,24)(H,25,26)(H,27,28)/t16-,17+/m1/s1
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298284
PNG
((R)-5-Biphenyl-4-yl-2-hydroxy-4-(oxalylamino)penta...)
Show SMILES OC(C[C@@H](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)/t15-,16?/m1/s1
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298311
PNG
(US10123984, Example 8-6)
Show SMILES OCC(C[C@H](Cc1ccc(cc1Cl)-c1ccccc1)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H20ClNO6/c21-17-10-13(12-4-2-1-3-5-12)6-7-14(17)8-16(22-18(24)20(27)28)9-15(11-23)19(25)26/h1-7,10,15-16,23H,8-9,11H2,(H,22,24)(H,25,26)(H,27,28)/t15?,16-/m0/s1
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298290
PNG
(US10123984, Example 2J)
Show SMILES CC(C)OC(=O)[C@H](O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)C(O)=O
Show InChI InChI=1S/C22H24ClNO6/c1-13(2)30-22(29)19(25)12-18(24-20(26)21(27)28)10-14-6-8-15(9-7-14)16-4-3-5-17(23)11-16/h3-9,11,13,18-19,25H,10,12H2,1-2H3,(H,24,26)(H,27,28)/t18-,19-/m1/s1
PDB

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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298318
PNG
(US10123984, Example 11-3)
Show SMILES C[C@@](CO)(C[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1)NC(=O)C(O)=O)C(O)=O
Show InChI InChI=1S/C21H22FNO6/c1-21(12-24,20(28)29)11-17(23-18(25)19(26)27)10-13-2-4-14(5-3-13)15-6-8-16(22)9-7-15/h2-9,17,24H,10-12H2,1H3,(H,23,25)(H,26,27)(H,28,29)/t17-,21+/m1/s1
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35.5n/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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50034842
PNG
((2R,4S)-5-Biphenyl-4-yl-4-(3-carboxy-propionylamin...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19+/m1/s1
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n/an/a 5n/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 US10123984 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Homo sapiens (Human))
BDBM50034846
PNG
((2R,4R)-5-Biphenyl-4-yl-4-(3-carboxy-propionylamin...)
Show SMILES C[C@H](C[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19-/m1/s1
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n/an/a 27n/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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50034854
PNG
((2R,4S)-5-Biphenyl-4-yl-4-(4-carboxy-butyrylamino)...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCC(O)=O)C(O)=O
Show InChI InChI=1S/C23H27NO5/c1-16(23(28)29)14-20(24-21(25)8-5-9-22(26)27)15-17-10-12-19(13-11-17)18-6-3-2-4-7-18/h2-4,6-7,10-13,16,20H,5,8-9,14-15H2,1H3,(H,24,25)(H,26,27)(H,28,29)/t16-,20+/m1/s1
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n/an/a 90n/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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298276
PNG
(US10123984, Compound 21g)
Show SMILES C[C@H](CC(Cc1ccc(cc1)-c1ccccc1)NC(=O)CC(O)=O)C(O)=O
Show InChI InChI=1S/C21H23NO5/c1-14(21(26)27)11-18(22-19(23)13-20(24)25)12-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,14,18H,11-13H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t14-,18?/m1/s1
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n/an/a 92n/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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50034868
PNG
((2S,4R)-5-Biphenyl-4-yl-4-(3-carboxy-propionylamin...)
Show SMILES C[C@@H](C[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19+/m0/s1
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n/an/a 190n/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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50034857
PNG
((2R,4S)-5-Biphenyl-4-yl-4-(5-carboxy-pentanoylamin...)
Show SMILES C[C@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCCCC(O)=O)C(O)=O
Show InChI InChI=1S/C24H29NO5/c1-17(24(29)30)15-21(25-22(26)9-5-6-10-23(27)28)16-18-11-13-20(14-12-18)19-7-3-2-4-8-19/h2-4,7-8,11-14,17,21H,5-6,9-10,15-16H2,1H3,(H,25,26)(H,27,28)(H,29,30)/t17-,21+/m1/s1
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n/an/a 324n/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 US10123984 (2018)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50034865
PNG
((2S,4S)-5-Biphenyl-4-yl-4-(3-carboxy-propionylamin...)
Show SMILES C[C@@H](C[C@@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C22H25NO5/c1-15(22(27)28)13-19(23-20(24)11-12-21(25)26)14-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19H,11-14H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t15-,19-/m0/s1
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n/an/a 700n/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 US10123984 (2018)

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