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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50044627   
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))
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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0.700n/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
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
Neprilysin


(Homo sapiens (Human))
BDBM50023103
PNG
(CHEMBL3298934)
Show SMILES OC(=O)C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H17NO5S/c16-12(17)7-11(14(19)20)15-13(18)10(8-21)6-9-4-2-1-3-5-9/h1-5,10-11,21H,6-8H2,(H,15,18)(H,16,17)(H,19,20)/t10-,11+/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
Neprilysin


(Homo sapiens (Human))
BDBM50023104
PNG
(CHEMBL3298935)
Show SMILES C[C@H](NC(=O)C(CS)Cc1ccsc1)C(O)=O
Show InChI InChI=1S/C11H15NO3S2/c1-7(11(14)15)12-10(13)9(5-16)4-8-2-3-17-6-8/h2-3,6-7,9,16H,4-5H2,1H3,(H,12,13)(H,14,15)/t7-,9?/m0/s1
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2n/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
Neprilysin


(Homo sapiens (Human))
BDBM50023097
PNG
(CHEMBL3298860)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C14H19NO4S/c1-9(16)12(14(18)19)15-13(17)11(8-20)7-10-5-3-2-4-6-10/h2-6,9,11-12,16,20H,7-8H2,1H3,(H,15,17)(H,18,19)/t9-,11-,12+/m1/s1
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2.5n/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
Neprilysin


(Homo sapiens (Human))
BDBM50023069
PNG
(CHEMBL3298859)
Show SMILES OC[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C13H17NO4S/c15-7-11(13(17)18)14-12(16)10(8-19)6-9-4-2-1-3-5-9/h1-5,10-11,15,19H,6-8H2,(H,14,16)(H,17,18)/t10-,11+/m1/s1
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2.90n/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
Neprilysin


(Homo sapiens (Human))
BDBM50023131
PNG
(CHEMBL3298940)
Show SMILES OC(=O)C[C@H](NC(=O)C1(CS)CCCC1)C(O)=O
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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3.5n/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
Neprilysin


(Homo sapiens (Human))
BDBM50023128
PNG
(CHEMBL3298937)
Show SMILES C[C@@H](O)[C@H](NC(=O)C(CS)Cc1ccsc1)C(O)=O
Show InChI InChI=1S/C12H17NO4S2/c1-7(14)10(12(16)17)13-11(15)9(5-18)4-8-2-3-19-6-8/h2-3,6-7,9-10,14,18H,4-5H2,1H3,(H,13,15)(H,16,17)/t7-,9?,10+/m1/s1
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8.20n/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
Aminopeptidase N


(Homo sapiens)
BDBM50023134
PNG
(CHEMBL3298943)
Show SMILES [O-]C(=O)C(F)(F)F.C[S+]([O-])CC[C@H]([NH3+])CS
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 , Paris BioPark, 11 Rue Watt, 75013 Paris, France.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant APN using L-Ala-beta-NA 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
Aminopeptidase N


(Homo sapiens)
BDBM50023133
PNG
(CHEMBL3298942)
Show SMILES [O-]C(=O)C(F)(F)F.CSCC[C@H]([NH3+])CS
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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11n/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 APN using L-Ala-beta-NA 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
Aminopeptidase N


(Homo sapiens)
BDBM50023135
PNG
(CHEMBL3298944)
Show SMILES [O-]C(=O)C(F)(F)F.CCCC[C@H]([NH3+])CS
Show InChI InChI=1S/C6H15NS.C2HF3O2/c1-2-3-4-6(7)5-8;3-2(4,5)1(6)7/h6,8H,2-5,7H2,1H3;(H,6,7)/t6-;/m0./s1
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13n/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 APN using L-Ala-beta-NA 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
Neprilysin


(Homo sapiens (Human))
BDBM50023132
PNG
(CHEMBL3298941)
Show SMILES OC(=O)C[C@H](NC(=O)C1(CS)CCCCC1)C(O)=O
Show InChI InChI=1S/C12H19NO5S/c14-9(15)6-8(10(16)17)13-11(18)12(7-19)4-2-1-3-5-12/h8,19H,1-7H2,(H,13,18)(H,14,15)(H,16,17)/t8-/m0/s1
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18n/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
Neprilysin


(Homo sapiens (Human))
BDBM50023127
PNG
(CHEMBL3298936)
Show SMILES OC[C@H](NC(=O)C(CS)Cc1ccsc1)C(O)=O
Show InChI InChI=1S/C11H15NO4S2/c13-4-9(11(15)16)12-10(14)8(5-17)3-7-1-2-18-6-7/h1-2,6,8-9,13,17H,3-5H2,(H,12,14)(H,15,16)/t8?,9-/m0/s1
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24n/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
Aminopeptidase N


(Homo sapiens)
BDBM50023136
PNG
(CHEMBL3298945)
Show SMILES [O-]C(=O)C(F)(F)F.COCC[C@H]([NH3+])CS
Show InChI InChI=1S/C5H13NOS.C2HF3O2/c1-7-3-2-5(6)4-8;3-2(4,5)1(6)7/h5,8H,2-4,6H2,1H3;(H,6,7)/t5-;/m0./s1
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35n/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 APN using L-Ala-beta-NA 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
Neprilysin


(Homo sapiens (Human))
BDBM50023129
PNG
(CHEMBL3298938)
Show SMILES OC(=O)CNC(=O)C1(CS)CCCC1
Show InChI InChI=1S/C9H15NO3S/c11-7(12)5-10-8(13)9(6-14)3-1-2-4-9/h14H,1-6H2,(H,10,13)(H,11,12)
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44n/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
Aminopeptidase N


(Homo sapiens)
BDBM50023137
PNG
(CHEMBL3298946)
Show SMILES [O-]C(=O)C(F)(F)F.CCOCC[C@H]([NH3+])CS
Show InChI InChI=1S/C6H15NOS.C2HF3O2/c1-2-8-4-3-6(7)5-9;3-2(4,5)1(6)7/h6,9H,2-5,7H2,1H3;(H,6,7)/t6-;/m0./s1
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47n/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 APN using L-Ala-beta-NA 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
Aminopeptidase N


(Homo sapiens)
BDBM50023152
PNG
(CHEMBL3298947)
Show SMILES [O-]C(=O)C(F)(F)F.CCOC[C@H]([NH3+])CS
Show InChI InChI=1S/C5H13NOS.C2HF3O2/c1-2-7-3-5(6)4-8;3-2(4,5)1(6)7/h5,8H,2-4,6H2,1H3;(H,6,7)/t5-;/m0./s1
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55n/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 APN using L-Ala-beta-NA 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
Neprilysin


(Homo sapiens (Human))
BDBM50023130
PNG
(CHEMBL3298939)
Show SMILES C[C@H](NC(=O)C1(CS)CCCC1)C(O)=O
Show InChI InChI=1S/C10H17NO3S/c1-7(8(12)13)11-9(14)10(6-15)4-2-3-5-10/h7,15H,2-6H2,1H3,(H,11,14)(H,12,13)/t7-/m0/s1
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59n/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