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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Neprilysin' AND taxid = 10090   
Target
(Institution)
LigandTarget
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


(Mus musculus)
BDBM50041062
PNG
(3-(4-Hydroxy-phenyl)-2-[2-mercaptomethyl-3-(4-meth...)
Show SMILES COc1ccc(cc1)C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C21H25NO5S/c1-13(15-5-9-17(27-2)10-6-15)18(12-28)20(24)22-19(21(25)26)11-14-3-7-16(23)8-4-14/h3-10,13,18-19,23,28H,11-12H2,1-2H3,(H,22,24)(H,25,26)
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n/an/a 2.5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against Neutral Endopeptidase by measuring the displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)

More data for this
Ligand-Target Pair
Neprilysin


(Mus musculus)
BDBM50027517
PNG
(CHEMBL2372594)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C17H24N2O5/c1-11(2)8-14(17(23)24)19-16(22)13(18-10-15(20)21)9-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t13-,14-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% Inhibitory potency against enkephalinase from mouse striatum.


J Med Chem 26: 60-5 (1983)

More data for this
Ligand-Target Pair
Neprilysin


(Mus musculus)
BDBM50452141
PNG
(CHEMBL2372595)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C14H18N2O5/c1-9(14(20)21)16-13(19)11(15-8-12(17)18)7-10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3,(H,16,19)(H,17,18)(H,20,21)/t9-,11-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% Inhibitory potency against enkephalinase from mouse striatum.


J Med Chem 26: 60-5 (1983)

More data for this
Ligand-Target Pair
Neprilysin


(Mus musculus)
BDBM50027522
PNG
(2-(2-Carboxy-3-phenyl-propionylamino)-4-methyl-pen...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccccc1)C([O-])=O)C([O-])=O
Show InChI InChI=1S/C16H21NO5/c1-10(2)8-13(16(21)22)17-14(18)12(15(19)20)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/p-2
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TBA

Curated by ChEMBL


Assay Description
50% Inhibitory potency against enkephalinase from mouse striatum.


J Med Chem 26: 60-5 (1983)

More data for this
Ligand-Target Pair
Neprilysin


(Mus musculus)
BDBM50027514
PNG
(2-(2-Carboxymethyl-3-phenyl-propionylamino)-4-meth...)
Show SMILES CC(C)CC(NC(=O)C(CC([O-])=O)Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C17H23NO5/c1-11(2)8-14(17(22)23)18-16(21)13(10-15(19)20)9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)/p-2
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% Inhibitory potency against enkephalinase from mouse striatum.


J Med Chem 26: 60-5 (1983)

More data for this
Ligand-Target Pair
Neprilysin


(Mus musculus)
BDBM50139892
PNG
((S)-2-((S)-2-Amino-3-phenyl-propionylamino)-propio...)
Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% Inhibitory potency against enkephalinase from mouse striatum.


J Med Chem 26: 60-5 (1983)

More data for this
Ligand-Target Pair
Neprilysin


(Mus musculus)
BDBM50027518
PNG
((2S)-2-[(2R)-2-[(carboxylatomethyl)amino]-3-phenyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C17H24N2O5/c1-11(2)8-14(17(23)24)19-16(22)13(18-10-15(20)21)9-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t13-,14-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% Inhibitory potency against enkephalinase from mouse striatum.


J Med Chem 26: 60-5 (1983)

More data for this
Ligand-Target Pair
Neprilysin


(Mus musculus)
BDBM50027518
PNG
((2S)-2-[(2R)-2-[(carboxylatomethyl)amino]-3-phenyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C17H24N2O5/c1-11(2)8-14(17(23)24)19-16(22)13(18-10-15(20)21)9-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t13-,14-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
50% Inhibitory potency against enkephalinase from mouse striatum.


J Med Chem 26: 60-5 (1983)

More data for this
Ligand-Target Pair
Neprilysin


(Mus musculus)
BDBM50027513
PNG
(2-[2-(2-Carboxy-ethylamino)-3-phenyl-propionylamin...)
Show SMILES CC(C)CC(NC(=O)C(Cc1ccccc1)NCCC([O-])=O)C([O-])=O
Show InChI InChI=1S/C18H26N2O5/c1-12(2)10-15(18(24)25)20-17(23)14(19-9-8-16(21)22)11-13-6-4-3-5-7-13/h3-7,12,14-15,19H,8-11H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/p-2
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n/an/a 1.10E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% Inhibitory potency against enkephalinase from mouse striatum.


J Med Chem 26: 60-5 (1983)

More data for this
Ligand-Target Pair
Neprilysin


(Mus musculus)
BDBM50027516
PNG
(2-(2-Amino-3-phenyl-propionylamino)-4-methyl-penta...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H22N2O3/c1-10(2)8-13(15(19)20)17-14(18)12(16)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% Inhibitory potency against enkephalinase from mouse striatum.


J Med Chem 26: 60-5 (1983)

More data for this
Ligand-Target Pair
Neprilysin


(Mus musculus)
BDBM50027518
PNG
((2S)-2-[(2R)-2-[(carboxylatomethyl)amino]-3-phenyl...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C17H24N2O5/c1-11(2)8-14(17(23)24)19-16(22)13(18-10-15(20)21)9-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t13-,14-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
50% Inhibitory potency against enkephalinase from mouse striatum.


J Med Chem 26: 60-5 (1983)

More data for this
Ligand-Target Pair