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Articleid 50040999

Compile data set for download or QSAR
Found 20 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))
BDBM50403280
PNG
(CHEMBL65545)
Show SMILES OC(=O)[C@@H]1CCCN2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C19H25N3O4S/c23-17(16(27)12-13-6-2-1-3-7-13)20-14-8-4-10-21-11-5-9-15(19(25)26)22(21)18(14)24/h1-3,6-7,14-16,27H,4-5,8-12H2,(H,20,23)(H,25,26)/t14-,15-,16-/m0/s1
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Article
n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP) was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50048512
PNG
(CHEMBL299639 | [(S)-3-((S)-2-Mercapto-3-phenyl-pro...)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H22N2O4S/c24-19(25)13-23-17-9-5-4-8-15(17)10-11-16(21(23)27)22-20(26)18(28)12-14-6-2-1-3-7-14/h1-9,16,18,28H,10-13H2,(H,22,26)(H,24,25)/t16-,18-/m0/s1
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Article
n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP) was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50403277
PNG
(CHEMBL61566)
Show SMILES CCCN1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C19H27N3O4S/c1-2-10-21-11-6-9-15(19(26)22(21)13-17(23)24)20-18(25)16(27)12-14-7-4-3-5-8-14/h3-5,7-8,15-16,27H,2,6,9-13H2,1H3,(H,20,25)(H,23,24)/t15-,16-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin converting enzyme (ACE) in rat was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50403274
PNG
(CHEMBL66481)
Show SMILES OC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)[C@@H](S)Cc1ccccc1
Show InChI InChI=1S/C19H23N3O5S/c23-16-9-8-13(18(25)22-14(19(26)27)7-4-10-21(16)22)20-17(24)15(28)11-12-5-2-1-3-6-12/h1-3,5-6,13-15,28H,4,7-11H2,(H,20,24)(H,26,27)/t13-,14-,15-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin converting enzyme (ACE) in rat was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50403280
PNG
(CHEMBL65545)
Show SMILES OC(=O)[C@@H]1CCCN2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C19H25N3O4S/c23-17(16(27)12-13-6-2-1-3-7-13)20-14-8-4-10-21-11-5-9-15(19(25)26)22(21)18(14)24/h1-3,6-7,14-16,27H,4-5,8-12H2,(H,20,23)(H,25,26)/t14-,15-,16-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin converting enzyme (ACE) in rat was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50403278
PNG
(CHEMBL62417)
Show SMILES CCCN1N(CC(O)=O)C(=O)[C@H](CCC1=O)NC(=O)[C@@H](S)Cc1ccccc1
Show InChI InChI=1S/C19H25N3O5S/c1-2-10-21-16(23)9-8-14(19(27)22(21)12-17(24)25)20-18(26)15(28)11-13-6-4-3-5-7-13/h3-7,14-15,28H,2,8-12H2,1H3,(H,20,26)(H,24,25)/t14-,15-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin converting enzyme (ACE) in rat was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50048512
PNG
(CHEMBL299639 | [(S)-3-((S)-2-Mercapto-3-phenyl-pro...)
Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C21H22N2O4S/c24-19(25)13-23-17-9-5-4-8-15(17)10-11-16(21(23)27)22-20(26)18(28)12-14-6-2-1-3-7-14/h1-9,16,18,28H,10-13H2,(H,22,26)(H,24,25)/t16-,18-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin converting enzyme (ACE) in rat was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50403279
PNG
(CHEMBL66254)
Show SMILES OC(=O)[C@@H]1CCN2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C18H23N3O4S/c22-16(15(26)11-12-5-2-1-3-6-12)19-13-7-4-9-20-10-8-14(18(24)25)21(20)17(13)23/h1-3,5-6,13-15,26H,4,7-11H2,(H,19,22)(H,24,25)/t13-,14-,15-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin converting enzyme (ACE) in rat was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50403276
PNG
(CHEMBL63001)
Show SMILES CN1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C17H23N3O4S/c1-19-9-5-8-13(17(24)20(19)11-15(21)22)18-16(23)14(25)10-12-6-3-2-4-7-12/h2-4,6-7,13-14,25H,5,8-11H2,1H3,(H,18,23)(H,21,22)/t13-,14-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin converting enzyme (ACE) in rat was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403274
PNG
(CHEMBL66481)
Show SMILES OC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)[C@@H](S)Cc1ccccc1
Show InChI InChI=1S/C19H23N3O5S/c23-16-9-8-13(18(25)22-14(19(26)27)7-4-10-21(16)22)20-17(24)15(28)11-12-5-2-1-3-6-12/h1-3,5-6,13-15,28H,4,7-11H2,(H,20,24)(H,26,27)/t13-,14-,15-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP) was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50403275
PNG
(CHEMBL304881)
Show SMILES CN1N(CC(O)=O)C(=O)[C@H](CCC1=O)NC(=O)[C@@H](S)Cc1ccccc1
Show InChI InChI=1S/C17H21N3O5S/c1-19-14(21)8-7-12(17(25)20(19)10-15(22)23)18-16(24)13(26)9-11-5-3-2-4-6-11/h2-6,12-13,26H,7-10H2,1H3,(H,18,24)(H,22,23)/t12-,13-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin converting enzyme (ACE) in rat was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50403273
PNG
(CHEMBL305108)
Show SMILES OC(=O)[C@@H]1CCN2N1C(=O)[C@H](CCC2=O)NC(=O)[C@@H](S)Cc1ccccc1
Show InChI InChI=1S/C18H21N3O5S/c22-15-7-6-12(17(24)21-13(18(25)26)8-9-20(15)21)19-16(23)14(27)10-11-4-2-1-3-5-11/h1-5,12-14,27H,6-10H2,(H,19,23)(H,25,26)/t12-,13-,14-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin converting enzyme (ACE) in rat was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403279
PNG
(CHEMBL66254)
Show SMILES OC(=O)[C@@H]1CCN2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12
Show InChI InChI=1S/C18H23N3O4S/c22-16(15(26)11-12-5-2-1-3-6-12)19-13-7-4-9-20-10-8-14(18(24)25)21(20)17(13)23/h1-3,5-6,13-15,26H,4,7-11H2,(H,19,22)(H,24,25)/t13-,14-,15-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP) was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403275
PNG
(CHEMBL304881)
Show SMILES CN1N(CC(O)=O)C(=O)[C@H](CCC1=O)NC(=O)[C@@H](S)Cc1ccccc1
Show InChI InChI=1S/C17H21N3O5S/c1-19-14(21)8-7-12(17(25)20(19)10-15(22)23)18-16(24)13(26)9-11-5-3-2-4-6-11/h2-6,12-13,26H,7-10H2,1H3,(H,18,24)(H,22,23)/t12-,13-/m0/s1
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n/an/a 55n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP) was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50403281
PNG
(CHEMBL417034)
Show SMILES OC(=O)CN1NCCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C16H21N3O4S/c20-14(21)10-19-16(23)12(7-4-8-17-19)18-15(22)13(24)9-11-5-2-1-3-6-11/h1-3,5-6,12-13,17,24H,4,7-10H2,(H,18,22)(H,20,21)/t12-,13-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin converting enzyme (ACE) in rat was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403273
PNG
(CHEMBL305108)
Show SMILES OC(=O)[C@@H]1CCN2N1C(=O)[C@H](CCC2=O)NC(=O)[C@@H](S)Cc1ccccc1
Show InChI InChI=1S/C18H21N3O5S/c22-15-7-6-12(17(24)21-13(18(25)26)8-9-20(15)21)19-16(23)14(27)10-11-4-2-1-3-5-11/h1-5,12-14,27H,6-10H2,(H,19,23)(H,25,26)/t12-,13-,14-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP) was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403276
PNG
(CHEMBL63001)
Show SMILES CN1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C17H23N3O4S/c1-19-9-5-8-13(17(24)20(19)11-15(21)22)18-16(23)14(25)10-12-6-3-2-4-7-12/h2-4,6-7,13-14,25H,5,8-11H2,1H3,(H,18,23)(H,21,22)/t13-,14-/m0/s1
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n/an/a 484n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP) was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403281
PNG
(CHEMBL417034)
Show SMILES OC(=O)CN1NCCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O
Show InChI InChI=1S/C16H21N3O4S/c20-14(21)10-19-16(23)12(7-4-8-17-19)18-15(22)13(24)9-11-5-2-1-3-6-11/h1-3,5-6,12-13,17,24H,4,7-10H2,(H,18,22)(H,20,21)/t12-,13-/m0/s1
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Article
n/an/a 486n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP) was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403277
PNG
(CHEMBL61566)
Show SMILES CCCN1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O
Show InChI InChI=1S/C19H27N3O4S/c1-2-10-21-11-6-9-15(19(26)22(21)13-17(23)24)20-18(25)16(27)12-14-7-4-3-5-8-14/h3-5,7-8,15-16,27H,2,6,9-13H2,1H3,(H,20,25)(H,23,24)/t15-,16-/m0/s1
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Article
n/an/a 1.49E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP) was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50403278
PNG
(CHEMBL62417)
Show SMILES CCCN1N(CC(O)=O)C(=O)[C@H](CCC1=O)NC(=O)[C@@H](S)Cc1ccccc1
Show InChI InChI=1S/C19H25N3O5S/c1-2-10-21-16(23)9-8-14(19(27)22(21)12-17(24)25)20-18(26)15(28)11-13-6-4-3-5-7-13/h3-7,14-15,28H,2,8-12H2,1H3,(H,20,26)(H,24,25)/t14-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
n/an/a 1.92E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against neutral endopeptidase (NEP) was determined


Bioorg Med Chem Lett 4: 2055-2060 (1994)


Article DOI: 10.1016/S0960-894X(01)80562-X
BindingDB Entry DOI: 10.7270/Q2PN96SK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%