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Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'lucas' and Initial = 'e'   
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
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50024094
PNG
((R,S) 2-(2-Mercaptomethyl-3-phenyl-propionylamino)...)
Show SMILES C[C@@H](NC(=O)[C@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C13H17NO3S/c1-9(13(16)17)14-12(15)11(8-18)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,14,15)(H,16,17)/t9-,11+/m1/s1
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n/an/a 0.410n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of activity of rat kidney enkephalinase


J Med Chem 29: 751-7 (1986)


BindingDB Entry DOI: 10.7270/Q2HM57F3
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50024101
PNG
((S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C13H17NO3S/c1-9(13(16)17)14-12(15)11(8-18)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,14,15)(H,16,17)/t9-,11+/m0/s1
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n/an/a 0.480n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of activity of rat kidney enkephalinase


J Med Chem 29: 751-7 (1986)


BindingDB Entry DOI: 10.7270/Q2HM57F3
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50024100
PNG
((R,S) N-(1-Mercaptomethyl-2-phenyl-ethyl)-2-methyl...)
Show SMILES C[C@@H](C(O)=O)C(=O)N[C@H](CS)Cc1ccccc1
Show InChI InChI=1S/C13H17NO3S/c1-9(13(16)17)12(15)14-11(8-18)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,14,15)(H,16,17)/t9-,11+/m1/s1
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n/an/a 0.540n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of activity of rat kidney enkephalinase


J Med Chem 29: 751-7 (1986)


BindingDB Entry DOI: 10.7270/Q2HM57F3
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50024097
PNG
((R,R) N-(1-Mercaptomethyl-2-phenyl-ethyl)-2-methyl...)
Show SMILES C[C@H](C(O)=O)C(=O)N[C@H](CS)Cc1ccccc1
Show InChI InChI=1S/C13H17NO3S/c1-9(13(16)17)12(15)14-11(8-18)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,14,15)(H,16,17)/t9-,11-/m0/s1
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n/an/a 0.650n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of activity of rat kidney enkephalinase


J Med Chem 29: 751-7 (1986)


BindingDB Entry DOI: 10.7270/Q2HM57F3
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50024098
PNG
((R,R) 2-(1-Mercaptomethyl-2-phenyl-ethylcarbamoyl)...)
Show SMILES CC(C)C[C@H](C(O)=O)C(=O)N[C@H](CS)Cc1ccccc1
Show InChI InChI=1S/C16H23NO3S/c1-11(2)8-14(16(19)20)15(18)17-13(10-21)9-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H,17,18)(H,19,20)/t13-,14-/m0/s1
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n/an/a 0.75n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of activity of rat kidney enkephalinase


J Med Chem 29: 751-7 (1986)


BindingDB Entry DOI: 10.7270/Q2HM57F3
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
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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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against neutral endopeptidase


J Med Chem 35: 1259-66 (1992)


BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50024099
PNG
((R,S) 2-(1-Mercaptomethyl-2-phenyl-ethylcarbamoyl)...)
Show SMILES CC(C)C[C@@H](C(O)=O)C(=O)N[C@H](CS)Cc1ccccc1
Show InChI InChI=1S/C16H23NO3S/c1-11(2)8-14(16(19)20)15(18)17-13(10-21)9-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H,17,18)(H,19,20)/t13-,14+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of activity of rat kidney enkephalinase


J Med Chem 29: 751-7 (1986)


BindingDB Entry DOI: 10.7270/Q2HM57F3
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50024096
PNG
(((R)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@H](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)/t10-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of activity of rat kidney enkephalinase


J Med Chem 29: 751-7 (1986)


BindingDB Entry DOI: 10.7270/Q2HM57F3
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50024102
PNG
(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@@H](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)/t10-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of activity of rat kidney enkephalinase


J Med Chem 29: 751-7 (1986)


BindingDB Entry DOI: 10.7270/Q2HM57F3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50024095
PNG
((R) N-(1-Mercaptomethyl-2-phenyl-ethyl)-malonamic ...)
Show SMILES OC(=O)CC(=O)N[C@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(7-12(15)16)13-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,14)(H,15,16)/t10-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of activity of rat kidney enkephalinase


J Med Chem 29: 751-7 (1986)


BindingDB Entry DOI: 10.7270/Q2HM57F3
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50406747
PNG
(CHEMBL2110347)
Show SMILES CC(C)C[C@H](S)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C17H25NO3S/c1-11(2)9-15(22)14(10-13-7-5-4-6-8-13)16(19)18-12(3)17(20)21/h4-8,11-12,14-15,22H,9-10H2,1-3H3,(H,18,19)(H,20,21)/t12-,14+,15-/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
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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INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Homo sapiens (Human))
BDBM50002018
PNG
(2-(2-Mercaptomethyl-3-phenyl-propionylamino)-4-met...)
Show SMILES CC(C)C[C@@H](NC(=O)C(CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3S/c1-11(2)8-14(16(19)20)17-15(18)13(10-21)9-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H,17,18)(H,19,20)/t13?,14-/m1/s1
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n/an/a 4.5n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against neutral endopeptidase


J Med Chem 35: 1259-66 (1992)


BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002031
PNG
(1-Mercaptomethyl-3-methylsulfanyl-propyl-ammonium)
Show SMILES CSCCC([NH3+])CS
Show InChI InChI=1S/C5H13NS2/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/p+1
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n/an/a 11n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


J Med Chem 35: 1259-66 (1992)


BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038623
PNG
(2-(2-Benzyl-3-mercapto-5-methyl-hexanoylamino)-pro...)
Show SMILES CC(C)CC(S)C(Cc1ccccc1)C(=O)NC(C)C(O)=O
Show InChI InChI=1S/C17H25NO3S/c1-11(2)9-15(22)14(10-13-7-5-4-6-8-13)16(19)18-12(3)17(20)21/h4-8,11-12,14-15,22H,9-10H2,1-3H3,(H,18,19)(H,20,21)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
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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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against neutral endopeptidase


J Med Chem 35: 1259-66 (1992)


BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002026
PNG
(2-Mercapto-1-methylsulfanylmethyl-ethyl-ammonium)
Show SMILES CSCC([NH3+])CS
Show InChI InChI=1S/C4H11NS2/c1-7-3-4(5)2-6/h4,6H,2-3,5H2,1H3/p+1
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INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


J Med Chem 35: 1259-66 (1992)


BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50046267
PNG
((RRS) 2-(2-Benzyl-3-mercapto-5-methyl-hexanoylamin...)
Show SMILES CC(C)C[C@@H](S)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C17H25NO3S/c1-11(2)9-15(22)14(10-13-7-5-4-6-8-13)16(19)18-12(3)17(20)21/h4-8,11-12,14-15,22H,9-10H2,1-3H3,(H,18,19)(H,20,21)/t12-,14-,15+/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50368599
PNG
(CHEMBL1159809)
Show SMILES CS(=O)CCC(N)CS
Show InChI InChI=1S/C5H13NOS2/c1-9(7)3-2-5(6)4-8/h5,8H,2-4,6H2,1H3
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INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


J Med Chem 35: 1259-66 (1992)


BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50368598
PNG
(CHEMBL1159810)
Show SMILES CS(=O)CC(N)CS
Show InChI InChI=1S/C4H11NOS2/c1-8(6)3-4(5)2-7/h4,7H,2-3,5H2,1H3
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INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


J Med Chem 35: 1259-66 (1992)


BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002027
PNG
(1-Mercaptomethyl-3-methyl-butyl-ammonium)
Show SMILES CC(C)CC([NH3+])CS
Show InChI InChI=1S/C6H15NS/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/p+1
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n/an/a 22n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


J Med Chem 35: 1259-66 (1992)


BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002034
PNG
(2-Mercapto-1-phenyl-ethyl-ammonium)
Show SMILES [NH3+]C(CS)c1ccccc1
Show InChI InChI=1S/C8H11NS/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/p+1
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n/an/a 25n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory potency against aminopeptidase N from hog kidney, using [3H]Leu-enkephalin as substrate


J Med Chem 35: 1259-66 (1992)


BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50046256
PNG
(2-(2-Benzyl-3-mercapto-5-methyl-hexanoylamino)-3-(...)
Show SMILES CC(C)CC(S)C(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C23H29NO4S/c1-15(2)12-21(29)19(13-16-6-4-3-5-7-16)22(26)24-20(23(27)28)14-17-8-10-18(25)11-9-17/h3-11,15,19-21,25,29H,12-14H2,1-2H3,(H,24,26)(H,27,28)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50036828
PNG
(1-Mercaptomethyl-2-phenyl-ethyl-ammonium | 2-Amino...)
Show SMILES NC(CS)Cc1ccccc1
Show InChI InChI=1S/C9H13NS/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2
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INSERM

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory potency against aminopeptidase N from hog kidney, using [3H]Leu-enkephalin as substrate


J Med Chem 35: 1259-66 (1992)


BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50406748
PNG
(CHEMBL2110258)
Show SMILES CC(C)C[C@H](S)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C17H25NO3S/c1-11(2)9-15(22)14(10-13-7-5-4-6-8-13)16(19)18-12(3)17(20)21/h4-8,11-12,14-15,22H,9-10H2,1-3H3,(H,18,19)(H,20,21)/t12-,14-,15-/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50046261
PNG
(2-(3-Mercapto-5-methyl-hexanoylamino)-3-phenyl-pro...)
Show SMILES CC(C)CC(S)CC(=O)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3S/c1-11(2)8-13(21)10-15(18)17-14(16(19)20)9-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H,17,18)(H,19,20)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50046264
PNG
((RSS) 2-(2-Benzyl-3-mercapto-5-methyl-hexanoylamin...)
Show SMILES CC(C)CC(S)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C17H25NO3S/c1-11(2)9-15(22)14(10-13-7-5-4-6-8-13)16(19)18-12(3)17(20)21/h4-8,11-12,14-15,22H,9-10H2,1-3H3,(H,18,19)(H,20,21)/t12-,14-,15?/m0/s1
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002019
PNG
(2-tert-Butylsulfanyl-1-mercaptomethyl-ethyl-ammoni...)
Show SMILES CC(C)(C)SCC([NH3+])CS
Show InChI InChI=1S/C7H17NS2/c1-7(2,3)10-5-6(8)4-9/h6,9H,4-5,8H2,1-3H3/p+1
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INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


J Med Chem 35: 1259-66 (1992)


BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50038615
PNG
(2-(2-Benzyl-3-mercapto-5-phenyl-pentanoylamino)-pr...)
Show SMILES CC(NC(=O)C(Cc1ccccc1)C(S)CCc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H25NO3S/c1-15(21(24)25)22-20(23)18(14-17-10-6-3-7-11-17)19(26)13-12-16-8-4-2-5-9-16/h2-11,15,18-19,26H,12-14H2,1H3,(H,22,23)(H,24,25)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002037
PNG
(2-(4-Hydroxy-phenyl)-1-mercaptomethyl-ethyl-ammoni...)
Show SMILES [NH3+]C(CS)Cc1ccc(O)cc1
Show InChI InChI=1S/C9H13NOS/c10-8(6-12)5-7-1-3-9(11)4-2-7/h1-4,8,11-12H,5-6,10H2/p+1
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INSERM

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory potency against aminopeptidase N from hog kidney, using [3H]Leu-enkephalin as substrate


J Med Chem 35: 1259-66 (1992)


BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002030
PNG
(2-Cyclohexyl-1-mercaptomethyl-ethyl-ammonium)
Show SMILES [NH3+]C(CS)CC1CCCCC1
Show InChI InChI=1S/C9H19NS/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2/p+1
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INSERM

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory potency against aminopeptidase N from hog kidney, using [3H]Leu-enkephalin as substrate


J Med Chem 35: 1259-66 (1992)


BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50046258
PNG
(3-(4-Hydroxy-phenyl)-2-[2-(3-mercapto-5-methyl-hex...)
Show SMILES CC(C)CC(S)CC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C25H32N2O5S/c1-16(2)12-20(33)15-23(29)26-21(13-17-6-4-3-5-7-17)24(30)27-22(25(31)32)14-18-8-10-19(28)11-9-18/h3-11,16,20-22,28,33H,12-15H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50002038
PNG
(2-(2-Mercapto-3-phenyl-propionylamino)-4-methyl-pe...)
Show SMILES CC(C)C[C@@H](NC(=O)C(S)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S/c1-10(2)8-12(15(18)19)16-14(17)13(20)9-11-6-4-3-5-7-11/h3-7,10,12-13,20H,8-9H2,1-2H3,(H,16,17)(H,18,19)/t12-,13?/m1/s1
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency against neutral endopeptidase


J Med Chem 35: 1259-66 (1992)


BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50046260
PNG
((2-Benzyl-3-mercapto-butyrylamino)-acetic acid | C...)
Show SMILES CC(S)C(Cc1ccccc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C13H17NO3S/c1-9(18)11(13(17)14-8-12(15)16)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,14,17)(H,15,16)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50046257
PNG
(2-[2-(2-Benzyl-3-mercapto-butyrylamino)-hexanoylam...)
Show SMILES CCCCC(NC(=O)C(Cc1ccccc1)C(C)S)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C26H34N2O5S/c1-3-4-10-22(27-24(30)21(17(2)34)15-18-8-6-5-7-9-18)25(31)28-23(26(32)33)16-19-11-13-20(29)14-12-19/h5-9,11-14,17,21-23,29,34H,3-4,10,15-16H2,1-2H3,(H,27,30)(H,28,31)(H,32,33)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50046262
PNG
(3-(4-Hydroxy-phenyl)-2-(2-isopropyl-3-mercapto-5-p...)
Show SMILES CC(C)C(C(S)CCc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C23H29NO4S/c1-15(2)21(20(29)13-10-16-6-4-3-5-7-16)22(26)24-19(23(27)28)14-17-8-11-18(25)12-9-17/h3-9,11-12,15,19-21,25,29H,10,13-14H2,1-2H3,(H,24,26)(H,27,28)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002028
PNG
(1-Benzyloxymethyl-2-mercapto-ethyl-ammonium)
Show SMILES [NH3+]C(CS)COCc1ccccc1
Show InChI InChI=1S/C10H15NOS/c11-10(8-13)7-12-6-9-4-2-1-3-5-9/h1-5,10,13H,6-8,11H2/p+1
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INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


J Med Chem 35: 1259-66 (1992)


BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002020
PNG
(2-Benzylsulfanyl-1-mercaptomethyl-ethyl-ammonium)
Show SMILES [NH3+]C(CS)CSCc1ccccc1
Show InChI InChI=1S/C10H15NS2/c11-10(6-12)8-13-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2/p+1
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INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


J Med Chem 35: 1259-66 (1992)


BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50002017
PNG
(1-Mercaptomethyl-2-naphthalen-2-yl-ethyl-ammonium)
Show SMILES [NH3+]C(CS)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C13H15NS/c14-13(9-15)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13,15H,8-9,14H2/p+1
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INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]Leu-enkephalin binding to Aminopeptidase N from hog kidney


J Med Chem 35: 1259-66 (1992)


BindingDB Entry DOI: 10.7270/Q2125T81
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
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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INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Angiotensin I converting enzyme activity using 50 microM N-Cbz-Phe-His-Leu as substrate


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50046265
PNG
(2-(2-Benzyl-3-mercapto-5-phenyl-pentanoylamino)-3-...)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)C(S)CCc1ccccc1
Show InChI InChI=1S/C27H29NO4S/c29-22-14-11-21(12-15-22)18-24(27(31)32)28-26(30)23(17-20-9-5-2-6-10-20)25(33)16-13-19-7-3-1-4-8-19/h1-12,14-15,23-25,29,33H,13,16-18H2,(H,28,30)(H,31,32)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(Rattus norvegicus (Rat))
BDBM50006115
PNG
((R)-RETRO-THIORPHAN | (RETRO)N-(1-Mercaptomethyl-2...)
Show SMILES OC(=O)CC(=O)N[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(7-12(15)16)13-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,14)(H,15,16)/t10-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Concentration for 50% inhibition of activity of rat kidney enkephalinase


J Med Chem 29: 751-7 (1986)


BindingDB Entry DOI: 10.7270/Q2HM57F3
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50046266
PNG
(2-[2-(2-Benzyl-3-mercapto-butyrylamino)-3-methyl-p...)
Show SMILES CCC(C)C(NC(=O)C(Cc1ccccc1)C(C)S)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C26H34N2O5S/c1-4-16(2)23(28-24(30)21(17(3)34)14-18-8-6-5-7-9-18)25(31)27-22(26(32)33)15-19-10-12-20(29)13-11-19/h5-13,16-17,21-23,29,34H,4,14-15H2,1-3H3,(H,27,31)(H,28,30)(H,32,33)
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INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Angiotensin I converting enzyme activity using 50 microM N-Cbz-Phe-His-Leu as substrate


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50046259
PNG
(2-[2-(2-Benzyl-3-mercapto-butyrylamino)-3-methyl-b...)
Show SMILES CC(C)C(NC(=O)C(Cc1ccccc1)C(C)S)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C25H32N2O5S/c1-15(2)22(27-23(29)20(16(3)33)13-17-7-5-4-6-8-17)24(30)26-21(25(31)32)14-18-9-11-19(28)12-10-18/h4-12,15-16,20-22,28,33H,13-14H2,1-3H3,(H,26,30)(H,27,29)(H,31,32)
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n/an/a 320n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50046266
PNG
(2-[2-(2-Benzyl-3-mercapto-butyrylamino)-3-methyl-p...)
Show SMILES CCC(C)C(NC(=O)C(Cc1ccccc1)C(C)S)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C26H34N2O5S/c1-4-16(2)23(28-24(30)21(17(3)34)14-18-8-6-5-7-9-18)25(31)27-22(26(32)33)15-19-10-12-20(29)13-11-19/h5-13,16-17,21-23,29,34H,4,14-15H2,1-3H3,(H,27,31)(H,28,30)(H,32,33)
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n/an/a 380n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by Inhibiting 50% of Neutral endopeptidase enzyme (NEP) activity using 20 nM [3H]-D-Ala2-Leu-enkephalin as sub...


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2Q81DP6
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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n/an/a 700n/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)


BindingDB Entry DOI: 10.7270/Q2Q81DP6
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Homo sapiens (Human))
BDBM50046256
PNG
(2-(2-Benzyl-3-mercapto-5-methyl-hexanoylamino)-3-(...)
Show SMILES CC(C)CC(S)C(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C23H29NO4S/c1-15(2)12-21(29)19(13-16-6-4-3-5-7-16)22(26)24-20(23(27)28)14-17-8-10-18(25)11-9-17/h3-11,15,19-21,25,29H,12-14H2,1-2H3,(H,24,26)(H,27,28)
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n/an/a 710n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated by inhibiting 50% of Angiotensin I Converting Enzyme activity using 50 microM N-Cbz-Phe-His-Leu as substrate


J Med Chem 36: 87-94 (1993)


BindingDB Entry DOI: 10.7270/Q26972NK
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)


BindingDB Entry DOI: 10.7270/Q2Q81DP6
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)


BindingDB Entry DOI: 10.7270/Q2Q81DP6
More data for this
Ligand-Target Pair
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