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Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'pocchiari' and Initial = 'f'   
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))
BDBM85433
PNG
(NEP inhibitor, 6m)
Show SMILES OC(=O)c1cc(NC(=O)C(CS)Cc2ccccc2)c[nH]1
Show InChI InChI=1S/C15H16N2O3S/c18-14(17-12-7-13(15(19)20)16-8-12)11(9-21)6-10-4-2-1-3-5-10/h1-5,7-8,11,16,21H,6,9H2,(H,17,18)(H,19,20)
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n/an/a 2n/an/an/an/an/a25



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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
Neprilysin


(Rattus norvegicus (Rat))
BDBM85434
PNG
(NEP inhibitor, 6n)
Show SMILES OC(=O)c1cc(NC(=O)C(CS)Cc2ccc(Cl)cc2)c[nH]1
Show InChI InChI=1S/C15H15ClN2O3S/c16-11-3-1-9(2-4-11)5-10(8-22)14(19)18-12-6-13(15(20)21)17-7-12/h1-4,6-7,10,17,22H,5,8H2,(H,18,19)(H,20,21)
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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
Neprilysin


(Rattus norvegicus (Rat))
BDBM85431
PNG
(NEP inhibitor, 6k)
Show SMILES OC(=O)c1cc(NC(=O)C(CS)Cc2ccccc2)cs1
Show InChI InChI=1S/C15H15NO3S2/c17-14(16-12-7-13(15(18)19)21-9-12)11(8-20)6-10-4-2-1-3-5-10/h1-5,7,9,11,20H,6,8H2,(H,16,17)(H,18,19)
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n/an/a 2n/an/an/an/an/a25



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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
Neprilysin


(Rattus norvegicus (Rat))
BDBM85429
PNG
(NEP inhibitor, 6i)
Show SMILES OC(=O)c1ccnc(NC(=O)C(CS)Cc2ccccc2)c1
Show InChI InChI=1S/C16H16N2O3S/c19-15(13(10-22)8-11-4-2-1-3-5-11)18-14-9-12(16(20)21)6-7-17-14/h1-7,9,13,22H,8,10H2,(H,20,21)(H,17,18,19)
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n/an/a 3n/an/an/an/an/a25



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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
Neprilysin


(Rattus norvegicus (Rat))
BDBM85438
PNG
(NEP inhibitor, 6r)
Show SMILES CN(C)C(=O)c1ccnc(NC(=O)C(CS)Cc2ccccc2)c1
Show InChI InChI=1S/C18H21N3O2S/c1-21(2)18(23)14-8-9-19-16(11-14)20-17(22)15(12-24)10-13-6-4-3-5-7-13/h3-9,11,15,24H,10,12H2,1-2H3,(H,19,20,22)
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n/an/a 5n/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
Neprilysin


(Rattus norvegicus (Rat))
BDBM85435
PNG
(NEP inhibitor, 6o)
Show SMILES COc1cccc(CC(CS)C(=O)Nc2c[nH]c(c2)C(O)=O)c1
Show InChI InChI=1S/C16H18N2O4S/c1-22-13-4-2-3-10(6-13)5-11(9-23)15(19)18-12-7-14(16(20)21)17-8-12/h2-4,6-8,11,17,23H,5,9H2,1H3,(H,18,19)(H,20,21)
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n/an/a 5n/an/an/an/an/a25



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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
Neprilysin


(Rattus norvegicus (Rat))
BDBM85428
PNG
(NEP inhibitor, 6h)
Show SMILES OC(=O)c1cncc(NC(=O)C(CS)Cc2ccccc2)c1
Show InChI InChI=1S/C16H16N2O3S/c19-15(13(10-22)6-11-4-2-1-3-5-11)18-14-7-12(16(20)21)8-17-9-14/h1-5,7-9,13,22H,6,10H2,(H,18,19)(H,20,21)
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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
Neprilysin


(Rattus norvegicus (Rat))
BDBM85430
PNG
(NEP inhibitor, 6j)
Show SMILES OC(=O)c1ccnc(NC(=O)C(CS)Cc2ccc3OCOc3c2)c1
Show InChI InChI=1S/C17H16N2O5S/c20-16(19-15-7-11(17(21)22)3-4-18-15)12(8-25)5-10-1-2-13-14(6-10)24-9-23-13/h1-4,6-7,12,25H,5,8-9H2,(H,21,22)(H,18,19,20)
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n/an/a 5.5n/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
Neprilysin


(Rattus norvegicus (Rat))
BDBM85436
PNG
(NEP inhibitor, 6p)
Show SMILES OC(=O)c1csc(NC(=O)C(CS)Cc2ccccc2)n1
Show InChI InChI=1S/C14H14N2O3S2/c17-12(16-14-15-11(8-21-14)13(18)19)10(7-20)6-9-4-2-1-3-5-9/h1-5,8,10,20H,6-7H2,(H,18,19)(H,15,16,17)
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n/an/a 9n/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
Neprilysin


(Rattus norvegicus (Rat))
BDBM85432
PNG
(NEP inhibitor, 6l)
Show SMILES OC(=O)c1cc(NC(=O)C(CS)Cc2cccnc2)cs1
Show InChI InChI=1S/C14H14N2O3S2/c17-13(16-11-5-12(14(18)19)21-8-11)10(7-20)4-9-2-1-3-15-6-9/h1-3,5-6,8,10,20H,4,7H2,(H,16,17)(H,18,19)
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n/an/a 13n/an/an/an/an/a25



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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
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 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)
Neprilysin


(Rattus norvegicus (Rat))
BDBM85437
PNG
(NEP inhibitor, 6q)
Show SMILES SCC(Cc1ccccc1)C(=O)Nc1ccn[nH]1
Show InChI InChI=1S/C13H15N3OS/c17-13(15-12-6-7-14-16-12)11(9-18)8-10-4-2-1-3-5-10/h1-7,11,18H,8-9H2,(H2,14,15,16,17)
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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
Neprilysin


(Rattus norvegicus (Rat))
BDBM85427
PNG
(NEP inhibitor, 6g)
Show SMILES CC(CS)C(=O)Nc1cncc(c1)C(O)=O
Show InChI InChI=1S/C10H12N2O3S/c1-6(5-16)9(13)12-8-2-7(10(14)15)3-11-4-8/h2-4,6,16H,5H2,1H3,(H,12,13)(H,14,15)
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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
Neprilysin


(Rattus norvegicus (Rat))
BDBM85439
PNG
(NEP inhibitor, 6s)
Show SMILES SCC(Cc1ccccc1)C(=O)Nc1cc(ccn1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C22H21N3O2S/c26-21(24-19-9-5-2-6-10-19)17-11-12-23-20(14-17)25-22(27)18(15-28)13-16-7-3-1-4-8-16/h1-12,14,18,28H,13,15H2,(H,24,26)(H,23,25,27)
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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