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Compile Data Set for Download or QSAR

Found 201 hits Enz. Inhib. hit(s) with all data for entry = 939   
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))
BDBM300247
PNG
(US9593110, 16-35)
Show SMILES N[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/C26H23ClFN5O4/c27-17-10-11-21(28)20(13-17)16-8-6-15(7-9-16)12-18(14-22(29)25(35)36)30-24(34)23-31-26(37)33(32-23)19-4-2-1-3-5-19/h1-11,13,18,22H,12,14,29H2,(H,30,34)(H,35,36)(H,31,32,37)/t18-,22-/m1/s1
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<1n/an/an/an/an/an/an/an/a



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300248
PNG
(US9593110, 2-1)
Show SMILES COC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1c[nH]nn1)C(O)=O
Show InChI InChI=1S/C22H22ClFN4O4/c1-32-12-15(22(30)31)9-17(26-21(29)20-11-25-28-27-20)8-13-2-4-14(5-3-13)18-10-16(23)6-7-19(18)24/h2-7,10-11,15,17H,8-9,12H2,1H3,(H,26,29)(H,30,31)(H,25,27,28)/t15-,17+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300249
PNG
(US9593110, 2-2)
Show SMILES COC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1n[nH]c(n1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C23H21ClF4N4O4/c1-36-11-14(21(34)35)9-16(29-20(33)19-30-22(32-31-19)23(26,27)28)8-12-2-4-13(5-3-12)17-10-15(24)6-7-18(17)25/h2-7,10,14,16H,8-9,11H2,1H3,(H,29,33)(H,34,35)(H,30,31,32)/t14-,16+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300254
PNG
(US9593110, 2-4)
Show SMILES COC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cc(n[nH]1)C(C)=O)C(O)=O
Show InChI InChI=1S/C25H25ClFN3O5/c1-14(31)22-12-23(30-29-22)24(32)28-19(10-17(13-35-2)25(33)34)9-15-3-5-16(6-4-15)20-11-18(26)7-8-21(20)27/h3-8,11-12,17,19H,9-10,13H2,1-2H3,(H,28,32)(H,29,30)(H,33,34)/t17-,19+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300255
PNG
(US9593110, 18-2)
Show SMILES CCCc1nc(co1)C(=O)N[C@@H](C[C@@H](N)C(O)=O)Cc1ccc(cc1Cl)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C24H24Cl2FN3O4/c1-2-3-22-30-21(12-34-22)23(31)29-16(11-20(28)24(32)33)8-14-5-4-13(9-18(14)26)17-10-15(25)6-7-19(17)27/h4-7,9-10,12,16,20H,2-3,8,11,28H2,1H3,(H,29,31)(H,32,33)/t16-,20-/m1/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300256
PNG
(US9593110, 57)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cnn[nH]1)C(O)=O
Show InChI InChI=1S/C29H28ClFN6O4/c30-20-10-11-23(31)22(14-20)19-8-6-18(7-9-19)12-21(34-28(39)26-16-33-37-36-26)15-25(29(40)41)35-27(38)24(32)13-17-4-2-1-3-5-17/h1-11,14,16,21,24-25H,12-13,15,32H2,(H,34,39)(H,35,38)(H,40,41)(H,33,36,37)/t21-,24+,25-/m1/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300257
PNG
(US9593110, 2-5)
Show SMILES COC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cc(O)no1)C(O)=O
Show InChI InChI=1S/C23H22ClFN2O6/c1-32-12-15(23(30)31)9-17(26-22(29)20-11-21(28)27-33-20)8-13-2-4-14(5-3-13)18-10-16(24)6-7-19(18)25/h2-7,10-11,15,17H,8-9,12H2,1H3,(H,26,29)(H,27,28)(H,30,31)/t15-,17+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300258
PNG
(US9593110, 18-3)
Show SMILES Cc1cnc(o1)C(=O)N[C@@H](C[C@@H](N)C(O)=O)Cc1ccc(cc1Cl)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C22H20Cl2FN3O4/c1-11-10-27-21(32-11)20(29)28-15(9-19(26)22(30)31)6-13-3-2-12(7-17(13)24)16-8-14(23)4-5-18(16)25/h2-5,7-8,10,15,19H,6,9,26H2,1H3,(H,28,29)(H,30,31)/t15-,19-/m1/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300260
PNG
(US9593110, 2-6)
Show SMILES COC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cc(OC)no1)C(O)=O
Show InChI InChI=1S/C24H24ClFN2O6/c1-32-13-16(24(30)31)10-18(27-23(29)21-12-22(33-2)28-34-21)9-14-3-5-15(6-4-14)19-11-17(25)7-8-20(19)26/h3-8,11-12,16,18H,9-10,13H2,1-2H3,(H,27,29)(H,30,31)/t16-,18+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300262
PNG
(US9593110, 59)
Show SMILES OC(=O)[C@@H](CC(Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cnn[nH]1)C1CCNCC1
Show InChI InChI=1S/C25H27ClFN5O3/c26-18-5-6-22(27)20(12-18)16-3-1-15(2-4-16)11-19(30-24(33)23-14-29-32-31-23)13-21(25(34)35)17-7-9-28-10-8-17/h1-6,12,14,17,19,21,28H,7-11,13H2,(H,30,33)(H,34,35)(H,29,31,32)/t19?,21-/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300263
PNG
(US9593110, 2-7)
Show SMILES COC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1ncco1)C(O)=O
Show InChI InChI=1S/C23H22ClFN2O5/c1-31-13-16(23(29)30)11-18(27-21(28)22-26-8-9-32-22)10-14-2-4-15(5-3-14)19-12-17(24)6-7-20(19)25/h2-9,12,16,18H,10-11,13H2,1H3,(H,27,28)(H,29,30)/t16-,18+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300266
PNG
(US9593110, 2-8)
Show SMILES COC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cocn1)C(O)=O
Show InChI InChI=1S/C23H22ClFN2O5/c1-31-11-16(23(29)30)9-18(27-22(28)21-12-32-13-26-21)8-14-2-4-15(5-3-14)19-10-17(24)6-7-20(19)25/h2-7,10,12-13,16,18H,8-9,11H2,1H3,(H,27,28)(H,29,30)/t16-,18+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300267
PNG
(US9593110, 18-6)
Show SMILES CCc1cc(on1)C(=O)N[C@@H](C[C@H](N)C(O)=O)Cc1ccc(cc1Cl)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H22Cl2FN3O4/c1-2-15-11-21(33-29-15)22(30)28-16(10-20(27)23(31)32)7-13-4-3-12(8-18(13)25)17-9-14(24)5-6-19(17)26/h3-6,8-9,11,16,20H,2,7,10,27H2,1H3,(H,28,30)(H,31,32)/t16-,20+/m1/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300268
PNG
(US9593110, 2-9)
Show SMILES COC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1coc(n1)C1CC1)C(O)=O
Show InChI InChI=1S/C26H26ClFN2O5/c1-34-13-18(26(32)33)11-20(29-24(31)23-14-35-25(30-23)17-6-7-17)10-15-2-4-16(5-3-15)21-12-19(27)8-9-22(21)28/h2-5,8-9,12,14,17-18,20H,6-7,10-11,13H2,1H3,(H,29,31)(H,32,33)/t18-,20+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300271
PNG
(US9593110, 18-8)
Show SMILES COCc1cc(no1)C(=O)N[C@@H](C[C@H](N)C(O)=O)Cc1ccc(cc1Cl)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H22Cl2FN3O5/c1-33-11-16-10-21(29-34-16)22(30)28-15(9-20(27)23(31)32)6-13-3-2-12(7-18(13)25)17-8-14(24)4-5-19(17)26/h2-5,7-8,10,15,20H,6,9,11,27H2,1H3,(H,28,30)(H,31,32)/t15-,20+/m1/s1
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<1n/an/an/an/an/an/an/an/a



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300272
PNG
(US9593110, 62)
Show SMILES OC(=O)[C@@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cnn[nH]1)Cn1ccnc1
Show InChI InChI=1S/C24H22ClFN6O3/c25-18-5-6-21(26)20(11-18)16-3-1-15(2-4-16)9-19(29-23(33)22-12-28-31-30-22)10-17(24(34)35)13-32-8-7-27-14-32/h1-8,11-12,14,17,19H,9-10,13H2,(H,29,33)(H,34,35)(H,28,30,31)/t17-,19+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300273
PNG
(US9593110, 2-11)
Show SMILES COC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1noc(=O)[nH]1)C(O)=O
Show InChI InChI=1S/C22H21ClFN3O6/c1-32-11-14(21(29)30)9-16(25-20(28)19-26-22(31)33-27-19)8-12-2-4-13(5-3-12)17-10-15(23)6-7-18(17)24/h2-7,10,14,16H,8-9,11H2,1H3,(H,25,28)(H,29,30)(H,26,27,31)/t14-,16+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300275
PNG
(US9593110, 2-12)
Show SMILES COC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1ccc(Cl)cn1)C(O)=O
Show InChI InChI=1S/C25H23Cl2FN2O4/c1-34-14-17(25(32)33)11-20(30-24(31)23-9-7-19(27)13-29-23)10-15-2-4-16(5-3-15)21-12-18(26)6-8-22(21)28/h2-9,12-13,17,20H,10-11,14H2,1H3,(H,30,31)(H,32,33)/t17-,20+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300276
PNG
(US9593110, 18-10)
Show SMILES N[C@@H](C[C@@H](Cc1ccc(cc1Cl)-c1cc(Cl)ccc1F)NC(=O)c1cc(on1)C1CC1)C(O)=O
Show InChI InChI=1S/C24H22Cl2FN3O4/c25-15-5-6-19(27)17(9-15)13-3-4-14(18(26)8-13)7-16(10-20(28)24(32)33)29-23(31)21-11-22(34-30-21)12-1-2-12/h3-6,8-9,11-12,16,20H,1-2,7,10,28H2,(H,29,31)(H,32,33)/t16-,20+/m1/s1
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<1n/an/an/an/an/an/an/an/a



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300277
PNG
(US9593110, 2-13)
Show SMILES COC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1ncccn1)C(O)=O
Show InChI InChI=1S/C24H23ClFN3O4/c1-33-14-17(24(31)32)12-19(29-23(30)22-27-9-2-10-28-22)11-15-3-5-16(6-4-15)20-13-18(25)7-8-21(20)26/h2-10,13,17,19H,11-12,14H2,1H3,(H,29,30)(H,31,32)/t17-,19+/m0/s1
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<1n/an/an/an/an/an/an/an/a



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300278
PNG
(US9593110, 18-11)
Show SMILES COc1cnc(o1)C(=O)N[C@@H](C[C@@H](N)C(O)=O)Cc1ccc(cc1Cl)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C22H20Cl2FN3O5/c1-32-19-10-27-21(33-19)20(29)28-14(9-18(26)22(30)31)6-12-3-2-11(7-16(12)24)15-8-13(23)4-5-17(15)25/h2-5,7-8,10,14,18H,6,9,26H2,1H3,(H,28,29)(H,30,31)/t14-,18-/m1/s1
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<1n/an/an/an/an/an/an/an/a



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300279
PNG
(US9593110, 2-14)
Show SMILES COC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1ccc(cn1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C26H23ClF4N2O4/c1-37-14-17(25(35)36)11-20(33-24(34)23-9-6-18(13-32-23)26(29,30)31)10-15-2-4-16(5-3-15)21-12-19(27)7-8-22(21)28/h2-9,12-13,17,20H,10-11,14H2,1H3,(H,33,34)(H,35,36)/t17-,20+/m0/s1
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<1n/an/an/an/an/an/an/an/a



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300281
PNG
(US9593110, 2-15)
Show SMILES COC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1ncc(C)o1)C(O)=O
Show InChI InChI=1S/C24H24ClFN2O5/c1-14-12-27-23(33-14)22(29)28-19(10-17(13-32-2)24(30)31)9-15-3-5-16(6-4-15)20-11-18(25)7-8-21(20)26/h3-8,11-12,17,19H,9-10,13H2,1-2H3,(H,28,29)(H,30,31)/t17-,19+/m0/s1
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<1n/an/an/an/an/an/an/an/a



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300282
PNG
(US9593110, 2-16)
Show SMILES CCOc1cc(n[nH]1)C(=O)N[C@@H](C[C@@H](COC)C(O)=O)Cc1ccc(cc1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C25H27ClFN3O5/c1-3-35-23-13-22(29-30-23)24(31)28-19(11-17(14-34-2)25(32)33)10-15-4-6-16(7-5-15)20-12-18(26)8-9-21(20)27/h4-9,12-13,17,19H,3,10-11,14H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)/t17-,19+/m0/s1
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<1n/an/an/an/an/an/an/an/a



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300283
PNG
(US9593110, 21-1)
Show SMILES CCc1cc(on1)C(=O)N[C@@H](C[C@@H](CN)C(O)=O)Cc1ccc(cc1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C24H25ClFN3O4/c1-2-18-12-22(33-29-18)23(30)28-19(10-16(13-27)24(31)32)9-14-3-5-15(6-4-14)20-11-17(25)7-8-21(20)26/h3-8,11-12,16,19H,2,9-10,13,27H2,1H3,(H,28,30)(H,31,32)/t16-,19+/m0/s1
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<1n/an/an/an/an/an/an/an/a



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300284
PNG
(US9593110, 4-1)
Show SMILES COC[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1n[nH]c(n1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C23H22ClF3N4O4/c1-35-12-16(21(33)34)11-18(28-20(32)19-29-22(31-30-19)23(25,26)27)9-13-5-7-14(8-6-13)15-3-2-4-17(24)10-15/h2-8,10,16,18H,9,11-12H2,1H3,(H,28,32)(H,33,34)(H,29,30,31)/t16-,18+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300286
PNG
(US9593110, 4-2)
Show SMILES COC[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(O)no1)C(O)=O
Show InChI InChI=1S/C23H23ClN2O6/c1-31-13-17(23(29)30)11-19(25-22(28)20-12-21(27)26-32-20)9-14-5-7-15(8-6-14)16-3-2-4-18(24)10-16/h2-8,10,12,17,19H,9,11,13H2,1H3,(H,25,28)(H,26,27)(H,29,30)/t17-,19+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300287
PNG
(US9593110, 21-3)
Show SMILES Cc1cnc(o1)C(=O)N[C@@H](C[C@@H](CN)C(O)=O)Cc1ccc(cc1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C23H23ClFN3O4/c1-13-12-27-22(32-13)21(29)28-18(9-16(11-26)23(30)31)8-14-2-4-15(5-3-14)19-10-17(24)6-7-20(19)25/h2-7,10,12,16,18H,8-9,11,26H2,1H3,(H,28,29)(H,30,31)/t16-,18+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300288
PNG
(US9593110, 4-3)
Show SMILES COC[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1noc(=O)[nH]1)C(O)=O
Show InChI InChI=1S/C22H22ClN3O6/c1-31-12-16(21(28)29)11-18(24-20(27)19-25-22(30)32-26-19)9-13-5-7-14(8-6-13)15-3-2-4-17(23)10-15/h2-8,10,16,18H,9,11-12H2,1H3,(H,24,27)(H,28,29)(H,25,26,30)/t16-,18+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300292
PNG
(US9593110, 7-1)
Show SMILES CCOC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1c[nH]nn1)C(O)=O
Show InChI InChI=1S/C23H24ClFN4O4/c1-2-33-13-16(23(31)32)10-18(27-22(30)21-12-26-29-28-21)9-14-3-5-15(6-4-14)19-11-17(24)7-8-20(19)25/h3-8,11-12,16,18H,2,9-10,13H2,1H3,(H,27,30)(H,31,32)(H,26,28,29)/t16-,18+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300294
PNG
(US9593110, 7-2)
Show SMILES CCOC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1[nH]nc(C2CC2)c1F)C(O)=O
Show InChI InChI=1S/C27H28ClF2N3O4/c1-2-37-14-18(27(35)36)12-20(31-26(34)25-23(30)24(32-33-25)17-7-8-17)11-15-3-5-16(6-4-15)21-13-19(28)9-10-22(21)29/h3-6,9-10,13,17-18,20H,2,7-8,11-12,14H2,1H3,(H,31,34)(H,32,33)(H,35,36)/t18-,20+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300295
PNG
(US9593110, 7-3)
Show SMILES CCOC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cc(n[nH]1)C(C)=O)C(O)=O
Show InChI InChI=1S/C26H27ClFN3O5/c1-3-36-14-18(26(34)35)11-20(29-25(33)24-13-23(15(2)32)30-31-24)10-16-4-6-17(7-5-16)21-12-19(27)8-9-22(21)28/h4-9,12-13,18,20H,3,10-11,14H2,1-2H3,(H,29,33)(H,30,31)(H,34,35)/t18-,20+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300296
PNG
(US9593110, 7-4)
Show SMILES CCOC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cc(O)no1)C(O)=O
Show InChI InChI=1S/C24H24ClFN2O6/c1-2-33-13-16(24(31)32)10-18(27-23(30)21-12-22(29)28-34-21)9-14-3-5-15(6-4-14)19-11-17(25)7-8-20(19)26/h3-8,11-12,16,18H,2,9-10,13H2,1H3,(H,27,30)(H,28,29)(H,31,32)/t16-,18+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300297
PNG
(US9593110, 7-5)
Show SMILES CCOC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cc(CC)no1)C(O)=O
Show InChI InChI=1S/C26H28ClFN2O5/c1-3-20-14-24(35-30-20)25(31)29-21(12-18(26(32)33)15-34-4-2)11-16-5-7-17(8-6-16)22-13-19(27)9-10-23(22)28/h5-10,13-14,18,21H,3-4,11-12,15H2,1-2H3,(H,29,31)(H,32,33)/t18-,21+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300298
PNG
(US9593110, 7-6)
Show SMILES CCOC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1ncco1)C(O)=O
Show InChI InChI=1S/C24H24ClFN2O5/c1-2-32-14-17(24(30)31)12-19(28-22(29)23-27-9-10-33-23)11-15-3-5-16(6-4-15)20-13-18(25)7-8-21(20)26/h3-10,13,17,19H,2,11-12,14H2,1H3,(H,28,29)(H,30,31)/t17-,19+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300303
PNG
(US9593110, 7-9)
Show SMILES CCOC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1c[nH]c(=O)o1)C(O)=O
Show InChI InChI=1S/C24H24ClFN2O6/c1-2-33-13-16(23(30)31)10-18(28-22(29)21-12-27-24(32)34-21)9-14-3-5-15(6-4-14)19-11-17(25)7-8-20(19)26/h3-8,11-12,16,18H,2,9-10,13H2,1H3,(H,27,32)(H,28,29)(H,30,31)/t16-,18+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300304
PNG
(US9593110, 7-10)
Show SMILES CCOC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1noc(=O)[nH]1)C(O)=O
Show InChI InChI=1S/C23H23ClFN3O6/c1-2-33-12-15(22(30)31)10-17(26-21(29)20-27-23(32)34-28-20)9-13-3-5-14(6-4-13)18-11-16(24)7-8-19(18)25/h3-8,11,15,17H,2,9-10,12H2,1H3,(H,26,29)(H,30,31)(H,27,28,32)/t15-,17+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300305
PNG
(US9593110, 7-11)
Show SMILES CCOC[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1ncccn1)C(O)=O
Show InChI InChI=1S/C25H25ClFN3O4/c1-2-34-15-18(25(32)33)13-20(30-24(31)23-28-10-3-11-29-23)12-16-4-6-17(7-5-16)21-14-19(26)8-9-22(21)27/h3-11,14,18,20H,2,12-13,15H2,1H3,(H,30,31)(H,32,33)/t18-,20+/m0/s1
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<1n/an/an/an/an/an/an/an/a



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300307
PNG
(US9593110, 9-1)
Show SMILES CCOC[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1c[nH]nn1)C(O)=O
Show InChI InChI=1S/C23H25ClN4O4/c1-2-32-14-18(23(30)31)12-20(26-22(29)21-13-25-28-27-21)10-15-6-8-16(9-7-15)17-4-3-5-19(24)11-17/h3-9,11,13,18,20H,2,10,12,14H2,1H3,(H,26,29)(H,30,31)(H,25,27,28)/t18-,20+/m0/s1
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<1n/an/an/an/an/an/an/an/a



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300308
PNG
(US9593110, 9-2)
Show SMILES CCOC[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc([nH]n1)C(C)=O)C(O)=O
Show InChI InChI=1S/C26H28ClN3O5/c1-3-35-15-20(26(33)34)13-22(28-25(32)24-14-23(16(2)31)29-30-24)11-17-7-9-18(10-8-17)19-5-4-6-21(27)12-19/h4-10,12,14,20,22H,3,11,13,15H2,1-2H3,(H,28,32)(H,29,30)(H,33,34)/t20-,22+/m0/s1
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<1n/an/an/an/an/an/an/an/a



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300309
PNG
(US9593110, 30-1)
Show SMILES COC(=O)N[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1c[nH]nn1)C(O)=O
Show InChI InChI=1S/C22H21ClFN5O5/c1-34-22(33)27-18(21(31)32)10-15(26-20(30)19-11-25-29-28-19)8-12-2-4-13(5-3-12)16-9-14(23)6-7-17(16)24/h2-7,9,11,15,18H,8,10H2,1H3,(H,26,30)(H,27,33)(H,31,32)(H,25,28,29)/t15-,18-/m1/s1
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<1n/an/an/an/an/an/an/an/a



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300310
PNG
(US9593110, 9-3)
Show SMILES CCOC[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1n[nH]c(n1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C24H24ClF3N4O4/c1-2-36-13-17(22(34)35)12-19(29-21(33)20-30-23(32-31-20)24(26,27)28)10-14-6-8-15(9-7-14)16-4-3-5-18(25)11-16/h3-9,11,17,19H,2,10,12-13H2,1H3,(H,29,33)(H,34,35)(H,30,31,32)/t17-,19+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300311
PNG
(US9593110, 30-2)
Show SMILES COC(=O)N[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cc(n[nH]1)C(C)=O)C(O)=O
Show InChI InChI=1S/C25H24ClFN4O6/c1-13(32)20-12-21(31-30-20)23(33)28-17(11-22(24(34)35)29-25(36)37-2)9-14-3-5-15(6-4-14)18-10-16(26)7-8-19(18)27/h3-8,10,12,17,22H,9,11H2,1-2H3,(H,28,33)(H,29,36)(H,30,31)(H,34,35)/t17-,22-/m1/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300312
PNG
(US9593110, 9-4)
Show SMILES CCOC[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(OC)no1)C(O)=O
Show InChI InChI=1S/C25H27ClN2O6/c1-3-33-15-19(25(30)31)13-21(27-24(29)22-14-23(32-2)28-34-22)11-16-7-9-17(10-8-16)18-5-4-6-20(26)12-18/h4-10,12,14,19,21H,3,11,13,15H2,1-2H3,(H,27,29)(H,30,31)/t19-,21+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300313
PNG
(US9593110, 30-3)
Show SMILES COC(=O)N[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1ncco1)C(O)=O
Show InChI InChI=1S/C23H21ClFN3O6/c1-33-23(32)28-19(22(30)31)12-16(27-20(29)21-26-8-9-34-21)10-13-2-4-14(5-3-13)17-11-15(24)6-7-18(17)25/h2-9,11,16,19H,10,12H2,1H3,(H,27,29)(H,28,32)(H,30,31)/t16-,19-/m1/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300314
PNG
(US9593110, 9-5)
Show SMILES CCOC[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1noc(=O)[nH]1)C(O)=O
Show InChI InChI=1S/C23H24ClN3O6/c1-2-32-13-17(22(29)30)12-19(25-21(28)20-26-23(31)33-27-20)10-14-6-8-15(9-7-14)16-4-3-5-18(24)11-16/h3-9,11,17,19H,2,10,12-13H2,1H3,(H,25,28)(H,29,30)(H,26,27,31)/t17-,19+/m0/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300315
PNG
(US9593110, 30-4)
Show SMILES COC(=O)N[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1ncc(C)o1)C(O)=O
Show InChI InChI=1S/C24H23ClFN3O6/c1-13-12-27-22(35-13)21(30)28-17(11-20(23(31)32)29-24(33)34-2)9-14-3-5-15(6-4-14)18-10-16(25)7-8-19(18)26/h3-8,10,12,17,20H,9,11H2,1-2H3,(H,28,30)(H,29,33)(H,31,32)/t17-,20-/m1/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300316
PNG
(US9593110, 30-5)
Show SMILES COC(=O)N[C@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1coc(n1)C1CC1)C(O)=O
Show InChI InChI=1S/C26H25ClFN3O6/c1-36-26(35)31-21(25(33)34)12-18(29-23(32)22-13-37-24(30-22)16-6-7-16)10-14-2-4-15(5-3-14)19-11-17(27)8-9-20(19)28/h2-5,8-9,11,13,16,18,21H,6-7,10,12H2,1H3,(H,29,32)(H,31,35)(H,33,34)/t18-,21-/m1/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300317
PNG
(US9593110, 30-6)
Show SMILES CCc1nc(co1)C(=O)N[C@@H](C[C@@H](NC(=O)OC)C(O)=O)Cc1ccc(cc1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C25H25ClFN3O6/c1-3-22-29-21(13-36-22)23(31)28-17(12-20(24(32)33)30-25(34)35-2)10-14-4-6-15(7-5-14)18-11-16(26)8-9-19(18)27/h4-9,11,13,17,20H,3,10,12H2,1-2H3,(H,28,31)(H,30,34)(H,32,33)/t17-,20-/m1/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM300318
PNG
(US9593110, 30-7)
Show SMILES CCOc1nc(co1)C(=O)N[C@@H](C[C@@H](NC(=O)OC)C(O)=O)Cc1ccc(cc1)-c1cc(Cl)ccc1F
Show InChI InChI=1S/C25H25ClFN3O7/c1-3-36-25-30-21(13-37-25)22(31)28-17(12-20(23(32)33)29-24(34)35-2)10-14-4-6-15(7-5-14)18-11-16(26)8-9-19(18)27/h4-9,11,13,17,20H,3,10,12H2,1-2H3,(H,28,31)(H,29,34)(H,32,33)/t17-,20-/m1/s1
PDB

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



Theravence Biopharma R&D IP, LLC

US Patent


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


US Patent US9593110 (2017)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair
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