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PubMed code 26241877

Compile data set for download or QSAR
Found 7 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))
BDBM50023131
PNG
(CHEMBL3298940)
Show SMILES OC(=O)C[C@H](NC(=O)C1(CS)CCCC1)C(O)=O |r|
Show InChI InChI=1S/C11H17NO5S/c13-8(14)5-7(9(15)16)12-10(17)11(6-18)3-1-2-4-11/h7,18H,1-6H2,(H,12,17)(H,13,14)(H,15,16)/t7-/m0/s1
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Article
PubMed
3.40n/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
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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Article
PubMed
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)
Aminopeptidase N


(Homo sapiens (Human))
BDBM50023134
PNG
(CHEMBL3298943)
Show SMILES [O-]C(=O)C(F)(F)F.C[S+]([O-])CC[C@H]([NH3+])CS |r|
Show InChI InChI=1S/C5H13NOS2.C2HF3O2/c1-9(7)3-2-5(6)4-8;3-2(4,5)1(6)7/h5,8H,2-4,6H2,1H3;(H,6,7)/t5-,9?;/m0./s1
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11n/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
Aminopeptidase N


(Homo sapiens (Human))
BDBM50023133
PNG
(CHEMBL3298942)
Show SMILES [O-]C(=O)C(F)(F)F.CSCC[C@H]([NH3+])CS |r|
Show InChI InChI=1S/C5H13NS2.C2HF3O2/c1-8-3-2-5(6)4-7;3-2(4,5)1(6)7/h5,7H,2-4,6H2,1H3;(H,6,7)/t5-;/m0./s1
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PubMed
11n/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
Neprilysin


(Homo sapiens (Human))
BDBM50023134
PNG
(CHEMBL3298943)
Show SMILES [O-]C(=O)C(F)(F)F.C[S+]([O-])CC[C@H]([NH3+])CS |r|
Show InChI InChI=1S/C5H13NOS2.C2HF3O2/c1-9(7)3-2-5(6)4-8;3-2(4,5)1(6)7/h5,8H,2-4,6H2,1H3;(H,6,7)/t5-,9?;/m0./s1
PDB

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PubMed
>1.00E+4n/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
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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Article
PubMed
>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
Aminopeptidase N


(Homo sapiens (Human))
BDBM50023131
PNG
(CHEMBL3298940)
Show SMILES OC(=O)C[C@H](NC(=O)C1(CS)CCCC1)C(O)=O |r|
Show InChI InChI=1S/C11H17NO5S/c13-8(14)5-7(9(15)16)12-10(17)11(6-18)3-1-2-4-11/h7,18H,1-6H2,(H,12,17)(H,13,14)(H,15,16)/t7-/m0/s1
PDB

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Reactome pathway
KEGG

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PC cid
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UniChem

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Article
PubMed
>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
* indicates data uncertainty>20%