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PubMed code 9554884

Compile data set for download or QSAR
Found 72 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))		BDBM50064106
PNG
(CGS-26303 | CHEMBL290698 | {[(R)-2-Biphenyl-4-yl-1...)
Show SMILES OP(O)(=O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C16H18N5O3P/c22-25(23,24)11-17-15(16-18-20-21-19-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15,17H,10-11H2,(H2,22,23,24)(H,18,19,20,21)/t15-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064109
PNG
(CGS-31447 | CHEMBL285619 | {1-[(S)-2-Biphenyl-4-yl...)
Show SMILES OP(O)(=O)C(CCc1cccc2ccccc12)N[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C28H28N5O3P/c34-37(35,36)27(18-17-24-11-6-10-23-9-4-5-12-25(23)24)29-26(28-30-32-33-31-28)19-20-13-15-22(16-14-20)21-7-2-1-3-8-21/h1-16,26-27,29H,17-19H2,(H2,34,35,36)(H,30,31,32,33)/t26-,27?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064114
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-5-(2-fluoro-phenyl)-2-(...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O
Show InChI InChI=1S/C27H26FN2O6P/c28-23-11-5-4-9-22(23)10-6-12-24(29-18-37(34,35)36)26(31)30-25(27(32)33)17-19-13-15-21(16-14-19)20-7-2-1-3-8-20/h1-5,7-9,11,13-16,24-25,29H,12,17-18H2,(H,30,31)(H,32,33)(H2,34,35,36)/t24-,25-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064096
PNG
(CHEMBL40028 | {[(S)-4-(2-Fluoro-phenyl)-1-(2H-tetr...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)c1nnn[nH]1
Show InChI InChI=1S/C12H13FN5O3P/c13-10-6-2-1-4-9(10)5-3-7-11(12-15-17-18-16-12)14-8-22(19,20)21/h1-2,4,6,11,14H,7-8H2,(H2,19,20,21)(H,15,16,17,18)/t11-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064125
PNG
((S)-3-Cyclohexyl-2-[(S)-5-(2,4-difluoro-phenyl)-2-...)
Show SMILES OC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(O)(O)=O
Show InChI InChI=1S/C21H27F2N2O6P/c22-16-10-9-15(17(23)12-16)7-4-8-18(24-13-32(29,30)31)20(26)25-19(21(27)28)11-14-5-2-1-3-6-14/h9-10,12,14,18-19,24H,1-3,5-6,8,11,13H2,(H,25,26)(H,27,28)(H2,29,30,31)/t18-,19-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064109
PNG
(CGS-31447 | CHEMBL285619 | {1-[(S)-2-Biphenyl-4-yl...)
Show SMILES OP(O)(=O)C(CCc1cccc2ccccc12)N[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C28H28N5O3P/c34-37(35,36)27(18-17-24-11-6-10-23-9-4-5-12-25(23)24)29-26(28-30-32-33-31-28)19-20-13-15-22(16-14-20)21-7-2-1-3-8-21/h1-16,26-27,29H,17-19H2,(H2,34,35,36)(H,30,31,32,33)/t26-,27?/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064124
PNG
((S)-2-[(S)-5-(2-Fluoro-phenyl)-2-(phosphonomethyl-...)
Show SMILES OC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O
Show InChI InChI=1S/C25H24FN2O6P/c26-21-10-4-3-7-19(21)9-5-11-22(27-16-35(32,33)34)24(29)28-23(25(30)31)15-17-12-13-18-6-1-2-8-20(18)14-17/h1-4,6-8,10,12-14,22-23,27H,11,15-16H2,(H,28,29)(H,30,31)(H2,32,33,34)/t22-,23-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064113
PNG
(CHEMBL40168 | {[(S)-1-(2-Biphenyl-4-yl-ethylcarbam...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H25F2N2O4P/c27-23-14-13-22(24(28)17-23)7-4-8-25(30-18-35(32,33)34)26(31)29-16-15-19-9-11-21(12-10-19)20-5-2-1-3-6-20/h1-3,5-6,9-14,17,25,30H,8,15-16,18H2,(H,29,31)(H2,32,33,34)/t25-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064112
PNG
((S)-5-(2-Fluoro-phenyl)-2-[(S)-5-(2-fluoro-phenyl)...)
Show SMILES OC(=O)[C@H](CC#Cc1ccccc1F)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O
Show InChI InChI=1S/C23H21F2N2O6P/c24-18-11-3-1-7-16(18)9-5-13-20(26-15-34(31,32)33)22(28)27-21(23(29)30)14-6-10-17-8-2-4-12-19(17)25/h1-4,7-8,11-12,20-21,26H,13-15H2,(H,27,28)(H,29,30)(H2,31,32,33)/t20-,21-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50251742
PNG
((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064099
PNG
(CHEMBL39714 | {[(S)-1-(2-Biphenyl-4-yl-ethylcarbam...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)C(=O)NCCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H26FN2O4P/c27-24-11-5-4-9-23(24)10-6-12-25(29-19-34(31,32)33)26(30)28-18-17-20-13-15-22(16-14-20)21-7-2-1-3-8-21/h1-5,7-9,11,13-16,25,29H,12,17-19H2,(H,28,30)(H2,31,32,33)/t25-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064123
PNG
(CHEMBL290868 | {[(S)-4-(2,4-Difluoro-phenyl)-1-(2-...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCc1cccc2ccccc12
Show InChI InChI=1S/C24H23F2N2O4P/c25-20-12-11-19(22(26)15-20)8-4-10-23(28-16-33(30,31)32)24(29)27-14-13-18-7-3-6-17-5-1-2-9-21(17)18/h1-3,5-7,9,11-12,15,23,28H,10,13-14,16H2,(H,27,29)(H2,30,31,32)/t23-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064128
PNG
(CHEMBL416234 | {[(S)-1-[2-(4-Bromo-phenyl)-ethylca...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCc1ccc(Br)cc1
Show InChI InChI=1S/C20H20BrF2N2O4P/c21-16-7-4-14(5-8-16)10-11-24-20(26)19(25-13-30(27,28)29)3-1-2-15-6-9-17(22)12-18(15)23/h4-9,12,19,25H,3,10-11,13H2,(H,24,26)(H2,27,28,29)/t19-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064120
PNG
((S)-2-[(S)-5-(2,4-Difluoro-phenyl)-2-(phosphonomet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C18H23F2N2O6P/c1-11(2)8-16(18(24)25)22-17(23)15(21-10-29(26,27)28)5-3-4-12-6-7-13(19)9-14(12)20/h6-7,9,11,15-16,21H,5,8,10H2,1-2H3,(H,22,23)(H,24,25)(H2,26,27,28)/t15-,16-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064118
PNG
(CHEMBL37078 | {[(S)-4-(2,4-Difluoro-phenyl)-1-(2-n...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCc1ccc2ccccc2c1
Show InChI InChI=1S/C24H23F2N2O4P/c25-21-11-10-19(22(26)15-21)6-3-7-23(28-16-33(30,31)32)24(29)27-13-12-17-8-9-18-4-1-2-5-20(18)14-17/h1-2,4-5,8-11,14-15,23,28H,7,12-13,16H2,(H,27,29)(H2,30,31,32)/t23-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064129
PNG
((S)-2-[(S)-5-(2-Fluoro-phenyl)-2-(phosphonomethyl-...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O
Show InChI InChI=1S/C21H22FN2O6P/c22-17-11-5-4-9-16(17)10-6-12-18(23-14-31(28,29)30)20(25)24-19(21(26)27)13-15-7-2-1-3-8-15/h1-5,7-9,11,18-19,23H,12-14H2,(H,24,25)(H,26,27)(H2,28,29,30)/t18-,19-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064101
PNG
(CHEMBL290304 | {[(S)-1-[3-(2-Amino-ethyl)-1H-indol...)
Show SMILES NCCc1c(NC(=O)[C@H](CC#Cc2ccccc2F)NCP(O)(O)=O)[nH]c2ccccc12
Show InChI InChI=1S/C22H24FN4O4P/c23-18-9-3-1-6-15(18)7-5-11-20(25-14-32(29,30)31)22(28)27-21-17(12-13-24)16-8-2-4-10-19(16)26-21/h1-4,6,8-10,20,25-26H,11-14,24H2,(H,27,28)(H2,29,30,31)/t20-/m0/s1
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Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064105
PNG
(CHEMBL446393 | {(S)-3-[(S)-5-(2,4-Difluoro-phenyl)...)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@H](CC#Cc2ccc(F)cc2F)NCP(O)(O)=O)C1=O
Show InChI InChI=1S/C24H24F2N3O7P/c25-17-10-8-15(18(26)12-17)5-3-6-19(27-14-37(34,35)36)23(32)28-20-11-9-16-4-1-2-7-21(16)29(24(20)33)13-22(30)31/h1-2,4,7-8,10,12,19-20,27H,6,9,11,13-14H2,(H,28,32)(H,30,31)(H2,34,35,36)/t19-,20-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064104
PNG
((S)-2-[(S)-5-(2-Fluoro-phenyl)-2-(phosphonomethyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C17H22FN2O6P/c1-11(2)15(17(22)23)20-16(21)14(19-10-27(24,25)26)9-5-7-12-6-3-4-8-13(12)18/h3-4,6,8,11,14-15,19H,9-10H2,1-2H3,(H,20,21)(H,22,23)(H2,24,25,26)/t14-,15-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064116
PNG
(CHEMBL417507 | {[(S)-1-[2-(4-Bromo-phenyl)-ethylca...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)C(=O)NCCc1ccc(Br)cc1
Show InChI InChI=1S/C20H21BrFN2O4P/c21-17-10-8-15(9-11-17)12-13-23-20(25)19(24-14-29(26,27)28)7-3-5-16-4-1-2-6-18(16)22/h1-2,4,6,8-11,19,24H,7,12-14H2,(H,23,25)(H2,26,27,28)/t19-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064131
PNG
(CHEMBL289638 | {[(S)-4-(2,4-Difluoro-phenyl)-1-phe...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C20H21F2N2O4P/c21-17-10-9-16(18(22)13-17)7-4-8-19(24-14-29(26,27)28)20(25)23-12-11-15-5-2-1-3-6-15/h1-3,5-6,9-10,13,19,24H,8,11-12,14H2,(H,23,25)(H2,26,27,28)/t19-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064111
PNG
(CHEMBL35995 | {[(S)-1-[3-(2-Amino-ethyl)-1H-indol-...)
Show SMILES NCCc1c(NC(=O)[C@H](CC#Cc2ccc(F)cc2F)NCP(O)(O)=O)[nH]c2ccccc12
Show InChI InChI=1S/C22H23F2N4O4P/c23-15-9-8-14(18(24)12-15)4-3-7-20(26-13-33(30,31)32)22(29)28-21-17(10-11-25)16-5-1-2-6-19(16)27-21/h1-2,5-6,8-9,12,20,26-27H,7,10-11,13,25H2,(H,28,29)(H2,30,31,32)/t20-/m0/s1
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n/an/a 111n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064130
PNG
((S)-2-[(S)-5-(2-Fluoro-phenyl)-2-(phosphonomethyl-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C18H24FN2O6P/c1-12(2)10-16(18(23)24)21-17(22)15(20-11-28(25,26)27)9-5-7-13-6-3-4-8-14(13)19/h3-4,6,8,12,15-16,20H,9-11H2,1-2H3,(H,21,22)(H,23,24)(H2,25,26,27)/t15-,16-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064121
PNG
(CHEMBL36809 | {[(S)-4-(2-Fluoro-phenyl)-1-(2-napht...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)C(=O)NCCc1cccc2ccccc12
Show InChI InChI=1S/C24H24FN2O4P/c25-22-13-4-2-8-20(22)11-6-14-23(27-17-32(29,30)31)24(28)26-16-15-19-10-5-9-18-7-1-3-12-21(18)19/h1-5,7-10,12-13,23,27H,14-17H2,(H,26,28)(H2,29,30,31)/t23-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064107
PNG
(CHEMBL287971 | {[(S)-4-(2,4-Difluoro-phenyl)-1-(3-...)
Show SMILES CC(C)CCNC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(O)(O)=O
Show InChI InChI=1S/C17H23F2N2O4P/c1-12(2)8-9-20-17(22)16(21-11-26(23,24)25)5-3-4-13-6-7-14(18)10-15(13)19/h6-7,10,12,16,21H,5,8-9,11H2,1-2H3,(H,20,22)(H2,23,24,25)/t16-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064096
PNG
(CHEMBL40028 | {[(S)-4-(2-Fluoro-phenyl)-1-(2H-tetr...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)c1nnn[nH]1
Show InChI InChI=1S/C12H13FN5O3P/c13-10-6-2-1-4-9(10)5-3-7-11(12-15-17-18-16-12)14-8-22(19,20)21/h1-2,4,6,11,14H,7-8H2,(H2,19,20,21)(H,15,16,17,18)/t11-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064103
PNG
(CHEMBL290332 | {[(S)-4-(2,4-Difluoro-phenyl)-1-(3-...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C21H23F2N2O4P/c22-18-12-11-17(19(23)14-18)9-4-10-20(25-15-30(27,28)29)21(26)24-13-5-8-16-6-2-1-3-7-16/h1-3,6-7,11-12,14,20,25H,5,8,10,13,15H2,(H,24,26)(H2,27,28,29)/t20-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064126
PNG
(({(S)-4-(2,4-Difluoro-phenyl)-1-[2-(3,4-dimethoxy-...)
Show SMILES COc1ccc(CCNC(=O)[C@H](CC#Cc2ccc(F)cc2F)NCP(O)(O)=O)cc1OC
Show InChI InChI=1S/C22H25F2N2O6P/c1-31-20-9-6-15(12-21(20)32-2)10-11-25-22(27)19(26-14-33(28,29)30)5-3-4-16-7-8-17(23)13-18(16)24/h6-9,12-13,19,26H,5,10-11,14H2,1-2H3,(H,25,27)(H2,28,29,30)/t19-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064108
PNG
(CHEMBL39384 | {[(S)-4-Phenyl-1-(2H-tetrazol-5-yl)-...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C12H14N5O3P/c18-21(19,20)9-13-11(12-14-16-17-15-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,13H,8-9H2,(H2,18,19,20)(H,14,15,16,17)/t11-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064115
PNG
((S)-5-(2,4-Difluoro-phenyl)-2-(phosphonomethyl-ami...)
Show SMILES OC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(O)(O)=O
Show InChI InChI=1S/C12H12F2NO5P/c13-9-5-4-8(10(14)6-9)2-1-3-11(12(16)17)15-7-21(18,19)20/h4-6,11,15H,3,7H2,(H,16,17)(H2,18,19,20)/t11-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064122
PNG
((S)-2-[(S)-5-(2-Fluoro-phenyl)-2-(phosphonomethyl-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C17H22FN2O6PS/c1-28-10-9-15(17(22)23)20-16(21)14(19-11-27(24,25)26)8-4-6-12-5-2-3-7-13(12)18/h2-3,5,7,14-15,19H,8-11H2,1H3,(H,20,21)(H,22,23)(H2,24,25,26)/t14-,15-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064100
PNG
(CHEMBL39997 | {[(S)-4-(2-Fluoro-phenyl)-1-phenethy...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C20H22FN2O4P/c21-18-11-5-4-9-17(18)10-6-12-19(23-15-28(25,26)27)20(24)22-14-13-16-7-2-1-3-8-16/h1-5,7-9,11,19,23H,12-15H2,(H,22,24)(H2,25,26,27)/t19-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064127
PNG
((S)-5-(2-Fluoro-phenyl)-2-(phosphonomethyl-amino)-...)
Show SMILES OC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O
Show InChI InChI=1S/C12H13FNO5P/c13-10-6-2-1-4-9(10)5-3-7-11(12(15)16)14-8-20(17,18)19/h1-2,4,6,11,14H,7-8H2,(H,15,16)(H2,17,18,19)/t11-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064114
PNG
((S)-3-Biphenyl-4-yl-2-[(S)-5-(2-fluoro-phenyl)-2-(...)
Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O
Show InChI InChI=1S/C27H26FN2O6P/c28-23-11-5-4-9-22(23)10-6-12-24(29-18-37(34,35)36)26(31)30-25(27(32)33)17-19-13-15-21(16-14-19)20-7-2-1-3-8-20/h1-5,7-9,11,13-16,24-25,29H,12,17-18H2,(H,30,31)(H,32,33)(H2,34,35,36)/t24-,25-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064119
PNG
(CHEMBL37861 | {[(S)-1-Benzylcarbamoyl-4-(2-fluoro-...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H20FN2O4P/c20-17-11-5-4-9-16(17)10-6-12-18(22-14-27(24,25)26)19(23)21-13-15-7-2-1-3-8-15/h1-5,7-9,11,18,22H,12-14H2,(H,21,23)(H2,24,25,26)/t18-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064097
PNG
(CHEMBL37456 | {[(S)-4-(2,4-Difluoro-phenyl)-1-(2-p...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C19H20F2N3O4P/c20-15-8-7-14(17(21)12-15)4-3-6-18(24-13-29(26,27)28)19(25)23-11-9-16-5-1-2-10-22-16/h1-2,5,7-8,10,12,18,24H,6,9,11,13H2,(H,23,25)(H2,26,27,28)/t18-/m0/s1
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n/an/a 310n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064117
PNG
((S)-2-[(S)-5-(3-Fluoro-phenyl)-2-(phosphonomethyl-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC#Cc1cccc(F)c1)NCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C18H24FN2O6P/c1-12(2)9-16(18(23)24)21-17(22)15(20-11-28(25,26)27)8-4-6-13-5-3-7-14(19)10-13/h3,5,7,10,12,15-16,20H,8-9,11H2,1-2H3,(H,21,22)(H,23,24)(H2,25,26,27)/t15-,16-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064117
PNG
((S)-2-[(S)-5-(3-Fluoro-phenyl)-2-(phosphonomethyl-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC#Cc1cccc(F)c1)NCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C18H24FN2O6P/c1-12(2)9-16(18(23)24)21-17(22)15(20-11-28(25,26)27)8-4-6-13-5-3-7-14(19)10-13/h3,5,7,10,12,15-16,20H,8-9,11H2,1-2H3,(H,21,22)(H,23,24)(H2,25,26,27)/t15-,16-/m0/s1
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n/an/a 407n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064106
PNG
(CGS-26303 | CHEMBL290698 | {[(R)-2-Biphenyl-4-yl-1...)
Show SMILES OP(O)(=O)CN[C@@H](Cc1ccc(cc1)-c1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C16H18N5O3P/c22-25(23,24)11-17-15(16-18-20-21-19-16)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15,17H,10-11H2,(H2,22,23,24)(H,18,19,20,21)/t15-/m0/s1
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n/an/a 410n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064132
PNG
((S)-4-Methyl-2-[(S)-5-phenyl-2-(phosphonomethyl-am...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccccc1)NCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C18H25N2O6P/c1-13(2)11-16(18(22)23)20-17(21)15(19-12-27(24,25)26)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15-16,19H,10-12H2,1-2H3,(H,20,21)(H,22,23)(H2,24,25,26)/t15-,16-/m0/s1
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n/an/a 510n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064108
PNG
(CHEMBL39384 | {[(S)-4-Phenyl-1-(2H-tetrazol-5-yl)-...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccccc1)c1nnn[nH]1
Show InChI InChI=1S/C12H14N5O3P/c18-21(19,20)9-13-11(12-14-16-17-15-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,13H,8-9H2,(H2,18,19,20)(H,14,15,16,17)/t11-/m0/s1
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n/an/a 590n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064103
PNG
(CHEMBL290332 | {[(S)-4-(2,4-Difluoro-phenyl)-1-(3-...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C21H23F2N2O4P/c22-18-12-11-17(19(23)14-18)9-4-10-20(25-15-30(27,28)29)21(26)24-13-5-8-16-6-2-1-3-7-16/h1-3,6-7,11-12,14,20,25H,5,8,10,13,15H2,(H,24,26)(H2,27,28,29)/t20-/m0/s1
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n/an/a 640n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064105
PNG
(CHEMBL446393 | {(S)-3-[(S)-5-(2,4-Difluoro-phenyl)...)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@H](CC#Cc2ccc(F)cc2F)NCP(O)(O)=O)C1=O
Show InChI InChI=1S/C24H24F2N3O7P/c25-17-10-8-15(18(26)12-17)5-3-6-19(27-14-37(34,35)36)23(32)28-20-11-9-16-4-1-2-7-21(16)29(24(20)33)13-22(30)31/h1-2,4,7-8,10,12,19-20,27H,6,9,11,13-14H2,(H,28,32)(H,30,31)(H2,34,35,36)/t19-,20-/m0/s1
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n/an/a 730n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064128
PNG
(CHEMBL416234 | {[(S)-1-[2-(4-Bromo-phenyl)-ethylca...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCc1ccc(Br)cc1
Show InChI InChI=1S/C20H20BrF2N2O4P/c21-16-7-4-14(5-8-16)10-11-24-20(26)19(25-13-30(27,28)29)3-1-2-15-6-9-17(22)12-18(15)23/h4-9,12,19,25H,3,10-11,13H2,(H,24,26)(H2,27,28,29)/t19-/m0/s1
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n/an/a 860n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064132
PNG
((S)-4-Methyl-2-[(S)-5-phenyl-2-(phosphonomethyl-am...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccccc1)NCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C18H25N2O6P/c1-13(2)11-16(18(22)23)20-17(21)15(19-12-27(24,25)26)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,15-16,19H,10-12H2,1-2H3,(H,20,21)(H,22,23)(H2,24,25,26)/t15-,16-/m0/s1
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n/an/a 948n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50251742
PNG
((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...)
Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neprilysin


(Homo sapiens (Human))		BDBM50064129
PNG
((S)-2-[(S)-5-(2-Fluoro-phenyl)-2-(phosphonomethyl-...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O
Show InChI InChI=1S/C21H22FN2O6P/c22-17-11-5-4-9-16(17)10-6-12-18(23-14-31(28,29)30)20(25)24-19(21(26)27)13-15-7-2-1-3-8-15/h1-5,7-9,11,18-19,23H,12-14H2,(H,24,25)(H,26,27)(H2,28,29,30)/t18-,19-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064124
PNG
((S)-2-[(S)-5-(2-Fluoro-phenyl)-2-(phosphonomethyl-...)
Show SMILES OC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O
Show InChI InChI=1S/C25H24FN2O6P/c26-21-10-4-3-7-19(21)9-5-11-22(27-16-35(32,33)34)24(29)28-23(25(30)31)15-17-12-13-18-6-1-2-8-20(18)14-17/h1-4,6-8,10,12-14,22-23,27H,11,15-16H2,(H,28,29)(H,30,31)(H2,32,33,34)/t22-,23-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064125
PNG
((S)-3-Cyclohexyl-2-[(S)-5-(2,4-difluoro-phenyl)-2-...)
Show SMILES OC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(O)(O)=O
Show InChI InChI=1S/C21H27F2N2O6P/c22-16-10-9-15(17(23)12-16)7-4-8-18(24-13-32(29,30)31)20(26)25-19(21(27)28)11-14-5-2-1-3-6-14/h9-10,12,14,18-19,24H,1-3,5-6,8,11,13H2,(H,25,26)(H,27,28)(H2,29,30,31)/t18-,19-/m0/s1
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n/an/a 2.07E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064113
PNG
(CHEMBL40168 | {[(S)-1-(2-Biphenyl-4-yl-ethylcarbam...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H25F2N2O4P/c27-23-14-13-22(24(28)17-23)7-4-8-25(30-18-35(32,33)34)26(31)29-16-15-19-9-11-21(12-10-19)20-5-2-1-3-6-20/h1-3,5-6,9-14,17,25,30H,8,15-16,18H2,(H,29,31)(H2,32,33,34)/t25-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064122
PNG
((S)-2-[(S)-5-(2-Fluoro-phenyl)-2-(phosphonomethyl-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C17H22FN2O6PS/c1-28-10-9-15(17(22)23)20-16(21)14(19-11-27(24,25)26)8-4-6-12-5-2-3-7-13(12)18/h2-3,5,7,14-15,19H,8-11H2,1H3,(H,20,21)(H,22,23)(H2,24,25,26)/t14-,15-/m0/s1
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n/an/a 4.06E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064098
PNG
((S)-2-[(S)-5-(2-Chloro-phenyl)-2-(phosphonomethyl-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccccc1Cl)NCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C18H24ClN2O6P/c1-12(2)10-16(18(23)24)21-17(22)15(20-11-28(25,26)27)9-5-7-13-6-3-4-8-14(13)19/h3-4,6,8,12,15-16,20H,9-11H2,1-2H3,(H,21,22)(H,23,24)(H2,25,26,27)/t15-,16-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064110
PNG
(2-{2-[(S)-5-(2,4-Difluoro-phenyl)-2-(phosphonometh...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(O)(O)=O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C21H28F2N3O7P/c1-12(2)9-18(20(28)25-13(3)21(29)30)26-19(27)17(24-11-34(31,32)33)6-4-5-14-7-8-15(22)10-16(14)23/h7-8,10,12-13,17-18,24H,6,9,11H2,1-3H3,(H,25,28)(H,26,27)(H,29,30)(H2,31,32,33)/t13-,17-,18-/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1


(Homo sapiens (Human))		BDBM50064110
PNG
(2-{2-[(S)-5-(2,4-Difluoro-phenyl)-2-(phosphonometh...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(O)(O)=O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C21H28F2N3O7P/c1-12(2)9-18(20(28)25-13(3)21(29)30)26-19(27)17(24-11-34(31,32)33)6-4-5-14-7-8-15(22)10-16(14)23/h7-8,10,12-13,17-18,24H,6,9,11H2,1-3H3,(H,25,28)(H,26,27)(H,29,30)(H2,31,32,33)/t13-,17-,18-/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity was assessed on CHO cells expressing recombinant human Endothelin-converting enzyme 1 (ECE-1).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064123
PNG
(CHEMBL290868 | {[(S)-4-(2,4-Difluoro-phenyl)-1-(2-...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCc1cccc2ccccc12
Show InChI InChI=1S/C24H23F2N2O4P/c25-20-12-11-19(22(26)15-20)8-4-10-23(28-16-33(30,31)32)24(29)27-14-13-18-7-3-6-17-5-1-2-9-21(17)18/h1-3,5-7,9,11-12,15,23,28H,10,13-14,16H2,(H,27,29)(H2,30,31,32)/t23-/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064112
PNG
((S)-5-(2-Fluoro-phenyl)-2-[(S)-5-(2-fluoro-phenyl)...)
Show SMILES OC(=O)[C@H](CC#Cc1ccccc1F)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O
Show InChI InChI=1S/C23H21F2N2O6P/c24-18-11-3-1-7-16(18)9-5-13-20(26-15-34(31,32)33)22(28)27-21(23(29)30)14-6-10-17-8-2-4-12-19(17)25/h1-4,7-8,11-12,20-21,26H,13-15H2,(H,27,28)(H,29,30)(H2,31,32,33)/t20-,21-/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064104
PNG
((S)-2-[(S)-5-(2-Fluoro-phenyl)-2-(phosphonomethyl-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C17H22FN2O6P/c1-11(2)15(17(22)23)20-16(21)14(19-10-27(24,25)26)9-5-7-12-6-3-4-8-13(12)18/h3-4,6,8,11,14-15,19H,9-10H2,1-2H3,(H,20,21)(H,22,23)(H2,24,25,26)/t14-,15-/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064099
PNG
(CHEMBL39714 | {[(S)-1-(2-Biphenyl-4-yl-ethylcarbam...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)C(=O)NCCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H26FN2O4P/c27-24-11-5-4-9-23(24)10-6-12-25(29-19-34(31,32)33)26(30)28-18-17-20-13-15-22(16-14-20)21-7-2-1-3-8-21/h1-5,7-9,11,13-16,25,29H,12,17-19H2,(H,28,30)(H2,31,32,33)/t25-/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064120
PNG
((S)-2-[(S)-5-(2,4-Difluoro-phenyl)-2-(phosphonomet...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C18H23F2N2O6P/c1-11(2)8-16(18(24)25)22-17(23)15(21-10-29(26,27)28)5-3-4-12-6-7-13(19)9-14(12)20/h6-7,9,11,15-16,21H,5,8,10H2,1-2H3,(H,22,23)(H,24,25)(H2,26,27,28)/t15-,16-/m0/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064118
PNG
(CHEMBL37078 | {[(S)-4-(2,4-Difluoro-phenyl)-1-(2-n...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCc1ccc2ccccc2c1
Show InChI InChI=1S/C24H23F2N2O4P/c25-21-11-10-19(22(26)15-21)6-3-7-23(28-16-33(30,31)32)24(29)27-13-12-17-8-9-18-4-1-2-5-20(18)14-17/h1-2,4-5,8-11,14-15,23,28H,7,12-13,16H2,(H,27,29)(H2,30,31,32)/t23-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064130
PNG
((S)-2-[(S)-5-(2-Fluoro-phenyl)-2-(phosphonomethyl-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O)C(O)=O
Show InChI InChI=1S/C18H24FN2O6P/c1-12(2)10-16(18(23)24)21-17(22)15(20-11-28(25,26)27)9-5-7-13-6-3-4-8-14(13)19/h3-4,6,8,12,15-16,20H,9-11H2,1-2H3,(H,21,22)(H,23,24)(H2,25,26,27)/t15-,16-/m0/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064111
PNG
(CHEMBL35995 | {[(S)-1-[3-(2-Amino-ethyl)-1H-indol-...)
Show SMILES NCCc1c(NC(=O)[C@H](CC#Cc2ccc(F)cc2F)NCP(O)(O)=O)[nH]c2ccccc12
Show InChI InChI=1S/C22H23F2N4O4P/c23-15-9-8-14(18(24)12-15)4-3-7-20(26-13-33(30,31)32)22(29)28-21-17(10-11-25)16-5-1-2-6-19(16)27-21/h1-2,5-6,8-9,12,20,26-27H,7,10-11,13,25H2,(H,28,29)(H2,30,31,32)/t20-/m0/s1
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n/an/a 9.70E+3n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064097
PNG
(CHEMBL37456 | {[(S)-4-(2,4-Difluoro-phenyl)-1-(2-p...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCc1ccccn1
Show InChI InChI=1S/C19H20F2N3O4P/c20-15-8-7-14(17(21)12-15)4-3-6-18(24-13-29(26,27)28)19(25)23-11-9-16-5-1-2-10-22-16/h1-2,5,7-8,10,12,18,24H,6,9,11,13H2,(H,23,25)(H2,26,27,28)/t18-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064101
PNG
(CHEMBL290304 | {[(S)-1-[3-(2-Amino-ethyl)-1H-indol...)
Show SMILES NCCc1c(NC(=O)[C@H](CC#Cc2ccccc2F)NCP(O)(O)=O)[nH]c2ccccc12
Show InChI InChI=1S/C22H24FN4O4P/c23-18-9-3-1-6-15(18)7-5-11-20(25-14-32(29,30)31)22(28)27-21-17(12-13-24)16-8-2-4-10-19(16)26-21/h1-4,6,8-10,20,25-26H,11-14,24H2,(H,27,28)(H2,29,30,31)/t20-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064121
PNG
(CHEMBL36809 | {[(S)-4-(2-Fluoro-phenyl)-1-(2-napht...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)C(=O)NCCc1cccc2ccccc12
Show InChI InChI=1S/C24H24FN2O4P/c25-22-13-4-2-8-20(22)11-6-14-23(27-17-32(29,30)31)24(28)26-16-15-19-10-5-9-18-7-1-3-12-21(18)19/h1-5,7-10,12-13,23,27H,14-17H2,(H,26,28)(H2,29,30,31)/t23-/m0/s1
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n/an/a 1.07E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064127
PNG
((S)-5-(2-Fluoro-phenyl)-2-(phosphonomethyl-amino)-...)
Show SMILES OC(=O)[C@H](CC#Cc1ccccc1F)NCP(O)(O)=O
Show InChI InChI=1S/C12H13FNO5P/c13-10-6-2-1-4-9(10)5-3-7-11(12(15)16)14-8-20(17,18)19/h1-2,4,6,11,14H,7-8H2,(H,15,16)(H2,17,18,19)/t11-/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064131
PNG
(CHEMBL289638 | {[(S)-4-(2,4-Difluoro-phenyl)-1-phe...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccc(F)cc1F)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C20H21F2N2O4P/c21-17-10-9-16(18(22)13-17)7-4-8-19(24-14-29(26,27)28)20(25)23-12-11-15-5-2-1-3-6-15/h1-3,5-6,9-10,13,19,24H,8,11-12,14H2,(H,23,25)(H2,26,27,28)/t19-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064100
PNG
(CHEMBL39997 | {[(S)-4-(2-Fluoro-phenyl)-1-phenethy...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C20H22FN2O4P/c21-18-11-5-4-9-17(18)10-6-12-19(23-15-28(25,26)27)20(24)22-14-13-16-7-2-1-3-8-16/h1-5,7-9,11,19,23H,12-15H2,(H,22,24)(H2,25,26,27)/t19-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064107
PNG
(CHEMBL287971 | {[(S)-4-(2,4-Difluoro-phenyl)-1-(3-...)
Show SMILES CC(C)CCNC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(O)(O)=O
Show InChI InChI=1S/C17H23F2N2O4P/c1-12(2)8-9-20-17(22)16(21-11-26(23,24)25)5-3-4-13-6-7-14(18)10-15(13)19/h6-7,10,12,16,21H,5,8-9,11H2,1-2H3,(H,20,22)(H2,23,24,25)/t16-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064115
PNG
((S)-5-(2,4-Difluoro-phenyl)-2-(phosphonomethyl-ami...)
Show SMILES OC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(O)(O)=O
Show InChI InChI=1S/C12H12F2NO5P/c13-9-5-4-8(10(14)6-9)2-1-3-11(12(16)17)15-7-21(18,19)20/h4-6,11,15H,3,7H2,(H,16,17)(H2,18,19,20)/t11-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064116
PNG
(CHEMBL417507 | {[(S)-1-[2-(4-Bromo-phenyl)-ethylca...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)C(=O)NCCc1ccc(Br)cc1
Show InChI InChI=1S/C20H21BrFN2O4P/c21-17-10-8-15(9-11-17)12-13-23-20(25)19(24-14-29(26,27)28)7-3-5-16-4-1-2-6-18(16)22/h1-2,4,6,8-11,19,24H,7,12-14H2,(H,23,25)(H2,26,27,28)/t19-/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))		BDBM50064119
PNG
(CHEMBL37861 | {[(S)-1-Benzylcarbamoyl-4-(2-fluoro-...)
Show SMILES OP(O)(=O)CN[C@@H](CC#Cc1ccccc1F)C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H20FN2O4P/c20-17-11-5-4-9-16(17)10-6-12-18(22-14-27(24,25)26)19(23)21-13-15-7-2-1-3-8-15/h1-5,7-9,11,18,22H,12-14H2,(H,21,23)(H2,24,25,26)/t18-/m0/s1
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Article
PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against neutral endopeptidase (NEP).

J Med Chem 41: 1513-23 (1998)


Article DOI: 10.1021/jm970787c
BindingDB Entry DOI: 10.7270/Q2PV6M1M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%