Compile Data Set for Download or QSAR

Found 790 hits with Last Name = 'gendron' and Initial = 'r'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Neprilysin (Homo sapiens (Human))	BDBM298285 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem		0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2PR8136
					More data for this Ligand-Target Pair
Neprilysin/Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM298285 (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	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BG2STK
					More data for this Ligand-Target Pair
Neprilysin/Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM582848 (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 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BG2STK
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM582847 (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 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2PR8136
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM582848 (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 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2PR8136
					More data for this Ligand-Target Pair
Neprilysin/Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM582849 (US11547687, Comparative Compound K) Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)CCCC(O)=O)C(O)=O Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BG2STK
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM617465 (US20230285340, Example 5A) Show SMILES COC(=O)C(O)CC(Cc1ccc(cc1)-c1cc(Cl)ccc1C)NC(=O)C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2PR8136
					More data for this Ligand-Target Pair
Neprilysin/Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM298305 (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	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					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...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BG2STK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50388692 (CHEMBL2059582) Show SMILES COC[C@@H]1CCCN1CCCCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12 |r,THB:13:14:20.19.21:16.17| Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-28-13-7-6-12-27(28)29(32-35)30(36)31-23-19-24-14-15-25(20-23)34(24)18-9-5-4-8-16-33-17-10-11-26(33)21-37-3/h6-7,12-13,22-26H,4-5,8-11,14-21H2,1-3H3,(H,31,36)/t23-,24+,25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells				Bioorg Med Chem Lett 22: 4849-53 (2012) Article DOI: 10.1016/j.bmcl.2012.05.034 BindingDB Entry DOI: 10.7270/Q20V8DVF
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50503902 (CHEMBL4588688) Show SMILES CCOc1nc(CC)c(CNC(=O)[C@@H](CS)CC(C)C)n1Cc1ccc(cc1F)-c1ccccc1C(O)=O |r| Show InChI InChI=1S/C29H36FN3O4S/c1-5-25-26(15-31-27(34)21(17-38)13-18(3)4)33(29(32-25)37-6-2)16-20-12-11-19(14-24(20)30)22-9-7-8-10-23(22)28(35)36/h7-12,14,18,21,38H,5-6,13,15-17H2,1-4H3,(H,31,34)(H,35,36)/t21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM300762 (US10130642, Example 8-2) Show SMILES CC(CO)(CC(Cc1ccc(cc1)-c1ccccc1F)NC(=O)c1cnn[nH]1)C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US10130642 (2018) BindingDB Entry DOI: 10.7270/Q29Z96ZH
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM300764 (US10130642, Example 8-4) Show SMILES CC(CO)(CC(Cc1ccc(cc1)-c1ccccc1F)NC(=O)c1cn(O)nn1)C(O)=O Show InChI InChI=1S/C22H23FN4O5/c1-22(13-28,21(30)31)11-16(24-20(29)19-12-27(32)26-25-19)10-14-6-8-15(9-7-14)17-4-2-3-5-18(17)23/h2-9,12,16,28,32H,10-11,13H2,1H3,(H,24,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US10130642 (2018) BindingDB Entry DOI: 10.7270/Q29Z96ZH
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM300765 (US10130642, Example 8-5) Show SMILES CC(CO)(CC(Cc1ccc(cc1)-c1ccccc1F)NC(=O)c1coc(=O)[nH]1)C(O)=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US10130642 (2018) BindingDB Entry DOI: 10.7270/Q29Z96ZH
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM300766 (US10130642, Example 8-6) Show SMILES CC(CO)(CC(Cc1ccc(cc1)-c1ccccc1F)NC(=O)C1CNC(=O)O1)C(O)=O Show InChI InChI=1S/C23H25FN2O6/c1-23(13-27,21(29)30)11-16(26-20(28)19-12-25-22(31)32-19)10-14-6-8-15(9-7-14)17-4-2-3-5-18(17)24/h2-9,16,19,27H,10-13H2,1H3,(H,25,31)(H,26,28)(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US10130642 (2018) BindingDB Entry DOI: 10.7270/Q29Z96ZH
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM300767 ((2S,4S)-5-Biphenyl-4-yl-4-[(3-hydroxy-isoxazole-5-...) Show SMILES CC(C)([C@H](C[C@@H](CO)C(O)=O)NC(=O)c1cn(O)nn1)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C23H26N4O5/c1-23(2,18-10-8-16(9-11-18)15-6-4-3-5-7-15)20(12-17(14-28)22(30)31)24-21(29)19-13-27(32)26-25-19/h3-11,13,17,20,28,32H,12,14H2,1-2H3,(H,24,29)(H,30,31)/t17-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US10130642 (2018) BindingDB Entry DOI: 10.7270/Q29Z96ZH
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM300768 (US10130642, Example 10-1) Show SMILES CC(C)(C(CC(CO)C(O)=O)Cc1ccc(cc1)-c1ccccc1)C(=O)c1cn(O)nn1 Show InChI InChI=1S/C24H27N3O5/c1-24(2,22(29)21-14-27(32)26-25-21)20(13-19(15-28)23(30)31)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14,19-20,28,32H,12-13,15H2,1-2H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US10130642 (2018) BindingDB Entry DOI: 10.7270/Q29Z96ZH
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM300769 (US10130642, Example 10-2) Show SMILES CC(C)(C(CC(CO)C(O)=O)Cc1ccc(cc1)-c1ccccc1)C(=O)c1cnn[nH]1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...				US Patent US10130642 (2018) BindingDB Entry DOI: 10.7270/Q29Z96ZH
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM459389 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM459390 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM459388 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM459391 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM459392 (US10759813, Example 18-32) Show SMILES CC(O)c1cc([nH]n1)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 Show InChI InChI=1S/C23H24ClN3O5/c1-13(28)19-12-20(27-26-19)22(30)25-18(11-21(29)23(31)32)9-14-5-7-15(8-6-14)16-3-2-4-17(24)10-16/h2-8,10,12-13,18,21,28-29H,9,11H2,1H3,(H,25,30)(H,26,27)(H,31,32)/t13?,18-,21-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10759813 (2020) BindingDB Entry DOI: 10.7270/Q2XW4NW0
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM459393 (US10759813, Example 18-34) Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc([nH]n1)-c1cccnc1)C(O)=O Show InChI InChI=1S/C26H23ClN4O4/c27-20-5-1-3-18(12-20)17-8-6-16(7-9-17)11-21(13-24(32)26(34)35)29-25(33)23-14-22(30-31-23)19-4-2-10-28-15-19/h1-10,12,14-15,21,24,32H,11,13H2,(H,29,33)(H,30,31)(H,34,35)/t21-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10759813 (2020) BindingDB Entry DOI: 10.7270/Q2XW4NW0
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM459394 (US10759813, Example 18-35) Show SMILES Cn1nc(cc1O)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 Show InChI InChI=1S/C22H22ClN3O5/c1-26-20(28)12-18(25-26)21(29)24-17(11-19(27)22(30)31)9-13-5-7-14(8-6-13)15-3-2-4-16(23)10-15/h2-8,10,12,17,19,27-28H,9,11H2,1H3,(H,24,29)(H,30,31)/t17-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10759813 (2020) BindingDB Entry DOI: 10.7270/Q2XW4NW0
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM459395 (US10759813, Example 18-37) Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(O)n(n1)-c1ccccn1)C(O)=O Show InChI InChI=1S/C26H23ClN4O5/c27-19-5-3-4-18(13-19)17-9-7-16(8-10-17)12-20(14-22(32)26(35)36)29-25(34)21-15-24(33)31(30-21)23-6-1-2-11-28-23/h1-11,13,15,20,22,32-33H,12,14H2,(H,29,34)(H,35,36)/t20-,22-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10759813 (2020) BindingDB Entry DOI: 10.7270/Q2XW4NW0
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM459396 (US10759813, Example 18-38) Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(O)n(n1)-c1ccccc1F)C(O)=O Show InChI InChI=1S/C27H23ClFN3O5/c28-19-5-3-4-18(13-19)17-10-8-16(9-11-17)12-20(14-24(33)27(36)37)30-26(35)22-15-25(34)32(31-22)23-7-2-1-6-21(23)29/h1-11,13,15,20,24,33-34H,12,14H2,(H,30,35)(H,36,37)/t20-,24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10759813 (2020) BindingDB Entry DOI: 10.7270/Q2XW4NW0
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM459397 (US10759813, Example 18-39) Show SMILES O[C@H](C[C@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(O)n(n1)-c1cccc(Cl)c1)C(O)=O Show InChI InChI=1S/C27H23Cl2N3O5/c28-19-4-1-3-18(12-19)17-9-7-16(8-10-17)11-21(14-24(33)27(36)37)30-26(35)23-15-25(34)32(31-23)22-6-2-5-20(29)13-22/h1-10,12-13,15,21,24,33-34H,11,14H2,(H,30,35)(H,36,37)/t21-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10759813 (2020) BindingDB Entry DOI: 10.7270/Q2XW4NW0
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM459398 (US10759813, Example 18-40) Show SMILES CCOc1cc(n[nH]1)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 Show InChI InChI=1S/C23H24ClN3O5/c1-2-32-21-13-19(26-27-21)22(29)25-18(12-20(28)23(30)31)10-14-6-8-15(9-7-14)16-4-3-5-17(24)11-16/h3-9,11,13,18,20,28H,2,10,12H2,1H3,(H,25,29)(H,26,27)(H,30,31)/t18-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50388689 (CHEMBL2059578) Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCN2CCCCC2)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C29H45N5O/c1-22(2)34-27-13-7-6-12-26(27)28(31-34)29(35)30-23-20-24-14-15-25(21-23)33(24)19-11-4-3-8-16-32-17-9-5-10-18-32/h6-7,12-13,22-25H,3-5,8-11,14-21H2,1-2H3,(H,30,35)/t23-,24+,25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells				Bioorg Med Chem Lett 22: 4849-53 (2012) Article DOI: 10.1016/j.bmcl.2012.05.034 BindingDB Entry DOI: 10.7270/Q20V8DVF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50388691 (CHEMBL2059580) Show SMILES CC(C)N(C)CCCCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12 |r,THB:10:11:17.16.18:13.14| Show InChI InChI=1S/C28H45N5O/c1-20(2)31(5)16-10-6-7-11-17-32-23-14-15-24(32)19-22(18-23)29-28(34)27-25-12-8-9-13-26(25)33(30-27)21(3)4/h8-9,12-13,20-24H,6-7,10-11,14-19H2,1-5H3,(H,29,34)/t22-,23+,24-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells				Bioorg Med Chem Lett 22: 4849-53 (2012) Article DOI: 10.1016/j.bmcl.2012.05.034 BindingDB Entry DOI: 10.7270/Q20V8DVF
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298285 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298286 (US10123984, Example 2F | US10744104, Example 2F | ...) Show SMILES CCOC(=O)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| 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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298288 (US10123984, Example 2H | US10744104, 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 |r| 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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298291 (US10123984, Example 2N | US11547687, Example 2N | ...) Show SMILES N[C@@H](C[C@@H](O)C(=O)OCc1ccccc1)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| 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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298292 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298293 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298294 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298295 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298295 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298298 (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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298299 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298300 (US10123984, Example 5-9 | US20230285340, Example 5...) 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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298301 (US10123984, Example 5-13 | US20230285340, Example ...) 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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298302 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298303 (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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298304 (US10123984, Example 5-17 | US20230285340, Example ...) 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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298305 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298306 (US10123984, Example 7B | US11547687, Example 7B) Show SMILES CCCCOC(=O)[C@H](CO)C[C@@H](Cc1ccc(cc1)-c1ccccc1F)NC(=O)C(O)=O |r| 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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298307 (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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM298308 (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)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2KK9DVB
					More data for this Ligand-Target Pair

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