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21 similar compounds to monomer 50024101

Compile data set for download or QSAR
Wt: 253.3
BDBM21641
Purchase
Wt: 309.4
BDBM50002018
Wt: 267.3
BDBM50024094
Wt: 253.3
BDBM50024096
Purchase
Wt: 253.3
BDBM50024102
Purchase
Wt: 327.4
BDBM50039515
Wt: 327.4
BDBM50039523
Wt: 327.4
BDBM50039538
Wt: 371.4
BDBM50038615
Wt: 295.3
BDBM50041052
Wt: 309.4
BDBM50041063
Wt: 309.4
BDBM50041065
Wt: 299.3
BDBM50041067
Wt: 267.3
BDBM50041071
Wt: 309.4
BDBM50282862
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 88 hits for monomerid = 21641,50002018,50024094,50024096,50024102,50039515,50039523,50039538,50038615,50041052,50041063,50041065,50041067,50041071,50282862   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neprilysin


(Homo sapiens (Human))
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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1.5n/an/an/an/an/an/an/an/a



Pharmaleads , Paris BioPark, 11 Rue Watt, 75013 Paris, France.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NEP using Suc-Ala-Ala-Phe-AMC as substrate after 30 mins by fluorimetry


J Med Chem 57: 5748-63 (2014)


Article DOI: 10.1021/jm500602h
BindingDB Entry DOI: 10.7270/Q2Q241TH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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Article
1.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase(NEP).


Bioorg Med Chem Lett 6: 2053-2058 (1996)


Article DOI: 10.1016/0960-894X(96)00367-8
BindingDB Entry DOI: 10.7270/Q29G5MSW
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
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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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of recombinant human neprilysin(NEP).


Bioorg Med Chem Lett 6: 2437-2440 (1996)


Article DOI: 10.1016/0960-894X(96)00448-9
BindingDB Entry DOI: 10.7270/Q2JS9QD0
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
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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1.90n/an/an/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Tested for binding affinity against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase(NEP).


Bioorg Med Chem Lett 6: 2053-2058 (1996)


Article DOI: 10.1016/0960-894X(96)00367-8
BindingDB Entry DOI: 10.7270/Q29G5MSW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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2n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rat kidney neutral endopeptidase (NEP) was determined


J Med Chem 36: 2420-3 (1993)


Article DOI: 10.1021/jm00068a022
BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
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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2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of recombinant human neprilysin(NEP).


Bioorg Med Chem Lett 6: 2437-2440 (1996)


Article DOI: 10.1016/0960-894X(96)00448-9
BindingDB Entry DOI: 10.7270/Q2JS9QD0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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4 -11.9n/an/an/an/an/a7.437



CNRS



Assay Description
NEP was preincubated in black 96-well microplates with or without increasing concentrations of inhibitors. DGPA was added, and the reaction was stopp...


J Med Chem 45: 1477-86 (2002)


Article DOI: 10.1021/jm0005454
BindingDB Entry DOI: 10.7270/Q2T72FQ1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(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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4.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of recombinant human neprilysin(NEP).


Bioorg Med Chem Lett 6: 2437-2440 (1996)


Article DOI: 10.1016/0960-894X(96)00448-9
BindingDB Entry DOI: 10.7270/Q2JS9QD0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Homo sapiens (Human))
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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5.5n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...


Eur J Med Chem 102: 58-67 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.027
BindingDB Entry DOI: 10.7270/Q2V989WW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neutral Endopeptidase (NEP)


(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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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards enkephalinase (metalloendopeptidase, E.C.3.4.24.11) of rat kidney


J Med Chem 28: 1208-16 (1985)


Article DOI: 10.1021/jm00147a015
BindingDB Entry DOI: 10.7270/Q2VM4CVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-Converting Enzyme


(Rattus norvegicus)
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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>100n/an/an/an/an/an/an/an/a



CNRS



Assay Description
Specific activity of ACE was assayed in black 96-well microplates with or without various concentrations of inhibitors. N-Cbz-Phe-His-Leu was added, ...


J Med Chem 45: 1477-86 (2002)


Article DOI: 10.1021/jm0005454
BindingDB Entry DOI: 10.7270/Q2T72FQ1
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
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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130n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of compound against rabbit lung angiotensin I-converting enzyme (ACE) was determined


J Med Chem 36: 2420-3 (1993)


Article DOI: 10.1021/jm00068a022
BindingDB Entry DOI: 10.7270/Q22N51C1
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
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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1.80E+3n/an/an/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibitory constant against thermolysin.


J Med Chem 35: 1671-84 (1992)


Article DOI: 10.1021/jm00088a002
BindingDB Entry DOI: 10.7270/Q2DR2W3S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Endothelin-converting enzyme 1 (ECE1)


(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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>1.00E+4n/an/an/an/an/an/an/an/a



CNRS



Assay Description
ECE activity was performed in black 96-well microplates with recombinant human ECE-1c (hECE-1c). The hECE-1c was preincubated with or without increa...


J Med Chem 45: 1477-86 (2002)


Article DOI: 10.1021/jm0005454
BindingDB Entry DOI: 10.7270/Q2T72FQ1
More data for this
Ligand-Target Pair
Angiotensin II receptor


(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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<1.00E+4n/an/an/an/an/an/an/an/a



Theravance Biopharma US Inc.

Curated by ChEMBL


Assay Description
Displacement of Europium-labeled angiotensin-2 from human AT1 receptor expressed in CHOK1 cell membranes after 120 mins by DELFIA


ACS Med Chem Lett 10: 86-91 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00462
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
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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>1.00E+4n/an/an/an/an/an/an/an/a



Pharmaleads

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Aminopeptidase N using L-Ala-beta-NA as substrate preincubated for 30 mins followed by substrate addition measured af...


Eur J Med Chem 102: 58-67 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.027
BindingDB Entry DOI: 10.7270/Q2V989WW
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 2 (ECE-2)


(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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>1.00E+5n/a>1.00E+5n/an/an/an/an/an/a



Pharmaleads



Assay Description
Inhibitory assay against ECE-2.


J Biol Chem 285: 34390-400 (2010)


Article DOI: 10.1074/jbc.M110.120576
BindingDB Entry DOI: 10.7270/Q29P307K
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
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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1.80E+9n/an/an/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Tested for binding against Thermolysin


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thermolysin


(Bacillus thermoproteolyticus)
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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1.00E+14n/an/an/an/an/an/an/an/a



University of Marburg

Curated by ChEMBL


Assay Description
pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)


J Med Chem 45: 1585-97 (2002)


Article DOI: 10.1021/jm011039x
BindingDB Entry DOI: 10.7270/Q25B057T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neutral Endopeptidase (NEP)


(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 18n/an/an/an/an/a25



R & D, Zambon Group Spa



Assay Description
Enzyme inhibition assay using neutrol endopeptiase EC 3.4.24.11 (NEP).


J Enzym Inhib 12: 155-60 (1997)


Article DOI: 10.3109/14756369709035816
BindingDB Entry DOI: 10.7270/Q2FQ9V4F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neutral Endopeptidase (NEP)


(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 2.60n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against Enkephalinase enzyme


J Med Chem 35: 602-8 (1992)


Article DOI: 10.1021/jm00081a024
BindingDB Entry DOI: 10.7270/Q2QZ28ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
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 420n/an/an/an/an/an/a



Dainippon Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against angiotensin I converting enzyme (ACE) from rabbit lung


J Med Chem 35: 602-8 (1992)


Article DOI: 10.1021/jm00081a024
BindingDB Entry DOI: 10.7270/Q2QZ28ZD
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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n/an/a 5n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibition of enkephalinase activity in membranes prepared from rabbit


J Med Chem 32: 2519-26 (1989)


Article DOI: 10.1021/jm00132a005
BindingDB Entry DOI: 10.7270/Q2668DSV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Thermolysin


(Bacillus thermoproteolyticus)
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 1.80E+3n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Tested for binding affinity against Thermolysin


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neprilysin


(Oryctolagus cuniculus (rabbit))
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



University of Paris

Curated by ChEMBL


Assay Description
Tested for inhibition against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 44n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Tested for inhibitory potency against neutral endopeptidase (NEP)


J Med Chem 37: 1865-73 (1994)


Article DOI: 10.1021/jm00038a016
BindingDB Entry DOI: 10.7270/Q2474BG6
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1021/jm00155a027
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)


Article DOI: 10.1021/jm00155a027
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)


Article DOI: 10.1021/jm00155a027
BindingDB Entry DOI: 10.7270/Q2HM57F3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50039538
PNG
((R)-2-(2-Mercaptomethyl-3-phenyl-propionylamino)-4...)
Show SMILES CSCC[C@@H](NC(=O)C(CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S2/c1-21-8-7-13(15(18)19)16-14(17)12(10-20)9-11-5-3-2-4-6-11/h2-6,12-13,20H,7-10H2,1H3,(H,16,17)(H,18,19)/t12?,13-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for its inhibitory activity against angiotensin converting enzyme


J Med Chem 37: 2461-76 (1994)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50039515
PNG
((R)-2-((R)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S2/c1-21-8-7-13(15(18)19)16-14(17)12(10-20)9-11-5-3-2-4-6-11/h2-6,12-13,20H,7-10H2,1H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for its inhibitory activity against angiotensin converting enzyme


J Med Chem 37: 2461-76 (1994)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Oryctolagus cuniculus)
BDBM50039523
PNG
((R)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S2/c1-21-8-7-13(15(18)19)16-14(17)12(10-20)9-11-5-3-2-4-6-11/h2-6,12-13,20H,7-10H2,1H3,(H,16,17)(H,18,19)/t12-,13-/m1/s1
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n/an/a 35n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Tested in vitro for its inhibitory activity against angiotensin converting enzyme


J Med Chem 37: 2461-76 (1994)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50039538
PNG
((R)-2-(2-Mercaptomethyl-3-phenyl-propionylamino)-4...)
Show SMILES CSCC[C@@H](NC(=O)C(CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S2/c1-21-8-7-13(15(18)19)16-14(17)12(10-20)9-11-5-3-2-4-6-11/h2-6,12-13,20H,7-10H2,1H3,(H,16,17)(H,18,19)/t12?,13-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


J Med Chem 37: 2461-76 (1994)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50039523
PNG
((R)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S2/c1-21-8-7-13(15(18)19)16-14(17)12(10-20)9-11-5-3-2-4-6-11/h2-6,12-13,20H,7-10H2,1H3,(H,16,17)(H,18,19)/t12-,13-/m1/s1
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n/an/a 6.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


J Med Chem 37: 2461-76 (1994)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neprilysin


(Oryctolagus cuniculus (rabbit))
BDBM50039515
PNG
((R)-2-((R)-2-Mercaptomethyl-3-phenyl-propionylamin...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S2/c1-21-8-7-13(15(18)19)16-14(17)12(10-20)9-11-5-3-2-4-6-11/h2-6,12-13,20H,7-10H2,1H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


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


J Med Chem 37: 2461-76 (1994)


Article DOI: 10.1021/jm00041a026
BindingDB Entry DOI: 10.7270/Q2571B20
More data for this
Ligand-Target Pair
Neutral Endopeptidase (NEP)


(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 4.80n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


Article DOI: 10.1021/jm00010a014
BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neutral Endopeptidase (NEP)


(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 1.5n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of Neutral endopeptidase by using Leu enkephalin as substrate


J Med Chem 38: 1689-700 (1995)


Article DOI: 10.1021/jm00010a014
BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 5n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against Leu-enkeph of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 20n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against big ET-1 of Neutral endopeptidase


J Med Chem 38: 2119-29 (1995)


Article DOI: 10.1021/jm00012a011
BindingDB Entry DOI: 10.7270/Q2D79C2M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neutral Endopeptidase (NEP)


(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 8.30n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibition of Neutral endopeptidase by using ANF(atrial natriuretic factor) as substrate


J Med Chem 38: 1689-700 (1995)


Article DOI: 10.1021/jm00010a014
BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 4n/an/an/an/an/an/a



University of Paris

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)


Article DOI: 10.1021/jm00053a011
BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 44n/an/an/an/an/an/a



University of Paris

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)


Article DOI: 10.1021/jm00053a011
BindingDB Entry DOI: 10.7270/Q26972NK
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041071
PNG
((2-Mercaptomethyl-3-phenyl-butyrylamino)-acetic ac...)
Show SMILES CC(C(CS)C(=O)NCC(O)=O)c1ccccc1
Show InChI InChI=1S/C13H17NO3S/c1-9(10-5-3-2-4-6-10)11(8-18)13(17)14-7-12(15)16/h2-6,9,11,18H,7-8H2,1H3,(H,14,17)(H,15,16)
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n/an/a 32n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


Article DOI: 10.1021/jm00034a005
BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041071
PNG
((2-Mercaptomethyl-3-phenyl-butyrylamino)-acetic ac...)
Show SMILES CC(C(CS)C(=O)NCC(O)=O)c1ccccc1
Show InChI InChI=1S/C13H17NO3S/c1-9(10-5-3-2-4-6-10)11(8-18)13(17)14-7-12(15)16/h2-6,9,11,18H,7-8H2,1H3,(H,14,17)(H,15,16)
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n/an/a 1.30n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


Article DOI: 10.1021/jm00034a005
BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041063
PNG
(2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-pentano...)
Show SMILES CCCC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3S/c1-3-7-14(16(19)20)17-15(18)13(10-21)11(2)12-8-5-4-6-9-12/h4-6,8-9,11,13-14,21H,3,7,10H2,1-2H3,(H,17,18)(H,19,20)
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n/an/a 4n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


Article DOI: 10.1021/jm00034a005
BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041067
PNG
(2-[3-(4-Fluoro-phenyl)-2-mercaptomethyl-butyrylami...)
Show SMILES CC(NC(=O)C(CS)C(C)c1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C14H18FNO3S/c1-8(10-3-5-11(15)6-4-10)12(7-20)13(17)16-9(2)14(18)19/h3-6,8-9,12,20H,7H2,1-2H3,(H,16,17)(H,18,19)
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n/an/a 10n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


Article DOI: 10.1021/jm00034a005
BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041052
PNG
(2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-butyric...)
Show SMILES CCC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S/c1-3-13(15(18)19)16-14(17)12(9-20)10(2)11-7-5-4-6-8-11/h4-8,10,12-13,20H,3,9H2,1-2H3,(H,16,17)(H,18,19)
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n/an/a 5.40n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


Article DOI: 10.1021/jm00034a005
BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50041052
PNG
(2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-butyric...)
Show SMILES CCC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C15H21NO3S/c1-3-13(15(18)19)16-14(17)12(9-20)10(2)11-7-5-4-6-8-11/h4-8,10,12-13,20H,3,9H2,1-2H3,(H,16,17)(H,18,19)
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n/an/a 6.30n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney


J Med Chem 37: 1070-83 (1994)


Article DOI: 10.1021/jm00034a005
BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Mus musculus)
BDBM50041063
PNG
(2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-pentano...)
Show SMILES CCCC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O
Show InChI InChI=1S/C16H23NO3S/c1-3-7-14(16(19)20)17-15(18)13(10-21)11(2)12-8-5-4-6-9-12/h4-6,8-9,11,13-14,21H,3,7,10H2,1-2H3,(H,17,18)(H,19,20)
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n/an/a 4n/an/an/an/an/an/a



University of Paris

Curated by ChEMBL


Assay Description
Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung


J Med Chem 37: 1070-83 (1994)


Article DOI: 10.1021/jm00034a005
BindingDB Entry DOI: 10.7270/Q26W995T
More data for this
Ligand-Target Pair
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