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PubMed code 3897541

Compile data set for download or QSAR
Found 27 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


(Rattus norvegicus (Rat))		BDBM50105264
PNG
(2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/p-1/t9-,11+/m0/s1
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 1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% inhibitory activity against enkephalinase purified from rat kidney with [3H]D-Ala2-Leu-enkephalin (20 nM) as substrate.

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50405292
PNG
(CHEMBL2079630)
Show SMILES C[C@H](NC(=O)[C@H](CC(=O)NO)Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11-/m0/s1
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 1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
50% inhibitory activity against enkephalinase purified from rat kidney with [3H]D-Ala2-Leu-enkephalin (20 nM) as substrate.

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50405292
PNG
(CHEMBL2079630)
Show SMILES C[C@H](NC(=O)[C@H](CC(=O)NO)Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11-/m0/s1
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 2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against aminopeptidase using 10 nM of [3H]Leu-enkephalin as substrate

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50105264
PNG
(2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-pro...)
Show SMILES C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C([O-])=O
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/p-1/t9-,11+/m0/s1
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 3.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against aminopeptidase using 10 nM of [3H]Leu-enkephalin as substrate

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50025920
PNG
((2-Hydroxycarbamoyl-3-phenyl-propionylamino)-aceti...)
Show SMILES COC(=O)CNC(=O)C(Cc1ccccc1)C(=O)NO
Show InChI InChI=1S/C13H16N2O5/c1-20-11(16)8-14-12(17)10(13(18)15-19)7-9-5-3-2-4-6-9/h2-6,10,19H,7-8H2,1H3,(H,14,17)(H,15,18)
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of enkephalinase purified from rat kidney.

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50025917
PNG
((2-Hydroxyaminomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES ONCC(Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C12H16N2O4/c15-11(16)8-13-12(17)10(7-14-18)6-9-4-2-1-3-5-9/h1-5,10,14,18H,6-8H2,(H,13,17)(H,15,16)
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n/an/a>1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of enkephalinase purified from rat kidney.

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50002035
PNG
((2-Hydroxycarbamoyl-3-phenyl-propionylamino)-aceti...)
Show SMILES ONC(=O)C(Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C12H14N2O5/c15-10(16)7-13-11(17)9(12(18)14-19)6-8-4-2-1-3-5-8/h1-5,9,19H,6-7H2,(H,13,17)(H,14,18)(H,15,16)
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit kidney aminopeptidase using 10 nM of [3H]Leu-enkephalin as substrate

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50025914
PNG
(2-Benzyl-N-(benzylcarbamoyl-methyl)-3-(formyl-hydr...)
Show SMILES ON(CC(Cc1ccccc1)C(=O)NCC(=O)NCc1ccccc1)C=O
Show InChI InChI=1S/C20H23N3O4/c24-15-23(27)14-18(11-16-7-3-1-4-8-16)20(26)22-13-19(25)21-12-17-9-5-2-6-10-17/h1-10,15,18,27H,11-14H2,(H,21,25)(H,22,26)
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of enkephalinase purified from rat kidney.

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50002022
PNG
((2-Benzyl-3-hydroxycarbamoyl-propionylamino)-aceti...)
Show SMILES ONC(=O)CC(Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C13H16N2O5/c16-11(15-20)7-10(13(19)14-8-12(17)18)6-9-4-2-1-3-5-9/h1-5,10,20H,6-8H2,(H,14,19)(H,15,16)(H,17,18)
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of enkephalinase purified from rat kidney.

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50025913
PNG
(CHEMBL16457 | [2-(Formyl-hydroxy-amino)-3-phenyl-p...)
Show SMILES ON(C=O)C(Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C12H14N2O5/c15-8-14(19)10(12(18)13-7-11(16)17)6-9-4-2-1-3-5-9/h1-5,8,10,19H,6-7H2,(H,13,18)(H,16,17)
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of enkephalinase purified from rat kidney.

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50020158
PNG
((R,S)2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino...)
Show SMILES CC(NC(=O)C(CC(=O)NO)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of enkephalinase purified from rat kidney.

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50002022
PNG
((2-Benzyl-3-hydroxycarbamoyl-propionylamino)-aceti...)
Show SMILES ONC(=O)CC(Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C13H16N2O5/c16-11(15-20)7-10(13(19)14-8-12(17)18)6-9-4-2-1-3-5-9/h1-5,10,20H,6-8H2,(H,14,19)(H,15,16)(H,17,18)
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit kidney aminopeptidase using 10 nM of [3H]Leu-enkephalin as substrate

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50025913
PNG
(CHEMBL16457 | [2-(Formyl-hydroxy-amino)-3-phenyl-p...)
Show SMILES ON(C=O)C(Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C12H14N2O5/c15-8-14(19)10(12(18)13-7-11(16)17)6-9-4-2-1-3-5-9/h1-5,8,10,19H,6-7H2,(H,13,18)(H,16,17)
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n/an/a 2.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit kidney aminopeptidase using 10 nM of [3H]Leu-enkephalin as substrate

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM21641
PNG
(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of enkephalinase purified from rat kidney.

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aminopeptidase N


(Sus scrofa (Pig))		BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit kidney aminopeptidase using 10 nM of [3H]Leu-enkephalin as substrate

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50020158
PNG
((R,S)2-(2-Benzyl-3-hydroxycarbamoyl-propionylamino...)
Show SMILES CC(NC(=O)C(CC(=O)NO)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)
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n/an/a 7.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit kidney aminopeptidase using 10 nM of [3H]Leu-enkephalin as substrate

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))		BDBM50025915
PNG
(CHEMBL16622 | [2-Benzyl-3-(formyl-hydroxy-amino)-p...)
Show SMILES ON(CC(Cc1ccccc1)C(=O)NCC(O)=O)C=O
Show InChI InChI=1S/C13H16N2O5/c16-9-15(20)8-11(13(19)14-7-12(17)18)6-10-4-2-1-3-5-10/h1-5,9,11,20H,6-8H2,(H,14,19)(H,17,18)
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n/an/a 8.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit kidney aminopeptidase using 10 nM of [3H]Leu-enkephalin as substrate

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50025915
PNG
(CHEMBL16622 | [2-Benzyl-3-(formyl-hydroxy-amino)-p...)
Show SMILES ON(CC(Cc1ccccc1)C(=O)NCC(O)=O)C=O
Show InChI InChI=1S/C13H16N2O5/c16-9-15(20)8-11(13(19)14-7-12(17)18)6-10-4-2-1-3-5-10/h1-5,9,11,20H,6-8H2,(H,14,19)(H,17,18)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of enkephalinase purified from rat kidney.

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50002035
PNG
((2-Hydroxycarbamoyl-3-phenyl-propionylamino)-aceti...)
Show SMILES ONC(=O)C(Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C12H14N2O5/c15-10(16)7-13-11(17)9(12(18)14-19)6-8-4-2-1-3-5-8/h1-5,9,19H,6-7H2,(H,13,17)(H,14,18)(H,15,16)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of enkephalinase purified from rat kidney.

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50025918
PNG
(2-(Formyl-hydroxy-amino)-N-[(3-methyl-butylcarbamo...)
Show SMILES CC(C)CCNC(=O)CNC(=O)C(Cc1ccccc1)N(O)C=O
Show InChI InChI=1S/C17H25N3O4/c1-13(2)8-9-18-16(22)11-19-17(23)15(20(24)12-21)10-14-6-4-3-5-7-14/h3-7,12-13,15,24H,8-11H2,1-2H3,(H,18,22)(H,19,23)
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of enkephalinase purified from rat kidney.

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50025921
PNG
(CHEMBL17040 | [2-Benzyl-3-(formyl-hydroxy-amino)-p...)
Show SMILES COC(=O)CNC(=O)C(CN(O)C=O)Cc1ccccc1
Show InChI InChI=1S/C14H18N2O5/c1-21-13(18)8-15-14(19)12(9-16(20)10-17)7-11-5-3-2-4-6-11/h2-6,10,12,20H,7-9H2,1H3,(H,15,19)
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n/an/a 350n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of enkephalinase purified from rat kidney.

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50025922
PNG
(2-Benzyl-N*4*-hydroxy-N*1*-[(3-methyl-butylcarbamo...)
Show SMILES CC(C)CCNC(=O)CNC(=O)C(CC(=O)NO)Cc1ccccc1
Show InChI InChI=1S/C18H27N3O4/c1-13(2)8-9-19-17(23)12-20-18(24)15(11-16(22)21-25)10-14-6-4-3-5-7-14/h3-7,13,15,25H,8-12H2,1-2H3,(H,19,23)(H,20,24)(H,21,22)
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of enkephalinase purified from rat kidney.

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50025911
PNG
(2-Benzyl-N-carboxymethyl-malonamic acid | CHEMBL17...)
Show SMILES OC(=O)CNC(=O)C(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C12H13NO5/c14-10(15)7-13-11(16)9(12(17)18)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)(H,17,18)
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n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of enkephalinase purified from rat kidney.

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50025912
PNG
(2-Benzyl-N-(benzylcarbamoyl-methyl)-N'-hydroxy-mal...)
Show SMILES ONC(=O)C(Cc1ccccc1)C(=O)NCC(=O)NCc1ccccc1
Show InChI InChI=1S/C19H21N3O4/c23-17(20-12-15-9-5-2-6-10-15)13-21-18(24)16(19(25)22-26)11-14-7-3-1-4-8-14/h1-10,16,26H,11-13H2,(H,20,23)(H,21,24)(H,22,25)
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of enkephalinase purified from rat kidney.

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50025924
PNG
(3-Benzyl-N-carboxymethyl-succinamic acid | CHEMBL1...)
Show SMILES OC(=O)CNC(=O)C(CC(O)=O)Cc1ccccc1
Show InChI InChI=1S/C13H15NO5/c15-11(16)7-10(13(19)14-8-12(17)18)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,15,16)(H,17,18)
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of enkephalinase purified from rat kidney.

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50025923
PNG
(2-Benzyl-3-(formyl-hydroxy-amino)-N-[(3-methyl-but...)
Show SMILES CC(C)CCNC(=O)CNC(=O)C(CN(O)C=O)Cc1ccccc1
Show InChI InChI=1S/C18H27N3O4/c1-14(2)8-9-19-17(23)11-20-18(24)16(12-21(25)13-22)10-15-6-4-3-5-7-15/h3-7,13-14,16,25H,8-12H2,1-2H3,(H,19,23)(H,20,24)
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of enkephalinase purified from rat kidney.

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
Neprilysin


(Rattus norvegicus (Rat))		BDBM50025919
PNG
(2-Benzyl-N-hydroxy-N'-[(3-methyl-butylcarbamoyl)-m...)
Show SMILES CC(C)CCNC(=O)CNC(=O)C(Cc1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H25N3O4/c1-12(2)8-9-18-15(21)11-19-16(22)14(17(23)20-24)10-13-6-4-3-5-7-13/h3-7,12,14,24H,8-11H2,1-2H3,(H,18,21)(H,19,22)(H,20,23)
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n/an/a 850n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of enkephalinase purified from rat kidney.

J Med Chem 28: 1158-69 (1985)


BindingDB Entry DOI: 10.7270/Q20C4WB5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%