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PubMed code 22545941

Compile data set for download or QSAR
Found 14 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
Aminopeptidase N


(Sus scrofa (Pig))
BDBM241970
PNG
(L-isoserine-L-tyrosinase-L-leucyl (16l))
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](O)CN)C(O)=O |r|
Show InChI InChI=1S/C18H27N3O6/c1-10(2)7-14(18(26)27)21-16(24)13(20-17(25)15(23)9-19)8-11-3-5-12(22)6-4-11/h3-6,10,13-15,22-23H,7-9,19H2,1-2H3,(H,20,25)(H,21,24)(H,26,27)/t13-,14-,15-/m0/s1
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n/an/a 2.51E+3n/an/an/an/a7.2n/a



Shandong University



Assay Description
IC50 values against APN were determined as previously described and by using L-Leu-p-nitroanilide as a substrate and microsomal aminopeptidase from P...


J Enzyme Inhib Med Chem 28: 717-26 (2013)


Article DOI: 10.3109/14756366.2012.680062
BindingDB Entry DOI: 10.7270/Q2930S39
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM241968
PNG
(L-isoserine-L-leucyl-L-valine (16i))
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)CN)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C14H27N3O5/c1-7(2)5-9(16-13(20)10(18)6-15)12(19)17-11(8(3)4)14(21)22/h7-11,18H,5-6,15H2,1-4H3,(H,16,20)(H,17,19)(H,21,22)/t9-,10-,11-/m0/s1
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n/an/a 5.16E+3n/an/an/an/a7.2n/a



Shandong University



Assay Description
IC50 values against APN were determined as previously described and by using L-Leu-p-nitroanilide as a substrate and microsomal aminopeptidase from P...


J Enzyme Inhib Med Chem 28: 717-26 (2013)


Article DOI: 10.3109/14756366.2012.680062
BindingDB Entry DOI: 10.7270/Q2930S39
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM241966
PNG
(L-isoserine-L-phenylglycine-L-phenylalanine (16g))
Show SMILES NC[C@H](O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O5/c21-12-16(24)18(25)23-17(14-9-5-2-6-10-14)19(26)22-15(20(27)28)11-13-7-3-1-4-8-13/h1-10,15-17,24H,11-12,21H2,(H,22,26)(H,23,25)(H,27,28)/t15-,16-,17-/m0/s1
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n/an/a 5.80E+3n/an/an/an/a7.2n/a



Shandong University



Assay Description
IC50 values against APN were determined as previously described and by using L-Leu-p-nitroanilide as a substrate and microsomal aminopeptidase from P...


J Enzyme Inhib Med Chem 28: 717-26 (2013)


Article DOI: 10.3109/14756366.2012.680062
BindingDB Entry DOI: 10.7270/Q2930S39
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM23971
PNG
((2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanami...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1
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Article
PubMed
n/an/a 6.25E+3n/an/an/an/a7.2n/a



Shandong University



Assay Description
IC50 values against APN were determined as previously described and by using L-Leu-p-nitroanilide as a substrate and microsomal aminopeptidase from P...


J Enzyme Inhib Med Chem 28: 717-26 (2013)


Article DOI: 10.3109/14756366.2012.680062
BindingDB Entry DOI: 10.7270/Q2930S39
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aminopeptidase N


(Sus scrofa (Pig))
BDBM241967
PNG
(L-isoserine-L-valine-L-leucyl (16h))
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](O)CN)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C14H27N3O5/c1-7(2)5-9(14(21)22)16-13(20)11(8(3)4)17-12(19)10(18)6-15/h7-11,18H,5-6,15H2,1-4H3,(H,16,20)(H,17,19)(H,21,22)/t9-,10-,11-/m0/s1
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PubMed
n/an/a 6.50E+3n/an/an/an/a7.2n/a



Shandong University



Assay Description
IC50 values against APN were determined as previously described and by using L-Leu-p-nitroanilide as a substrate and microsomal aminopeptidase from P...


J Enzyme Inhib Med Chem 28: 717-26 (2013)


Article DOI: 10.3109/14756366.2012.680062
BindingDB Entry DOI: 10.7270/Q2930S39
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM241972
PNG
(L-isoserine-L-phenylalanine-L-phenylalanine (16n))
Show SMILES NC[C@H](O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C21H25N3O5/c22-13-18(25)20(27)23-16(11-14-7-3-1-4-8-14)19(26)24-17(21(28)29)12-15-9-5-2-6-10-15/h1-10,16-18,25H,11-13,22H2,(H,23,27)(H,24,26)(H,28,29)/t16-,17-,18-/m0/s1
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n/an/a 6.50E+3n/an/an/an/a7.2n/a



Shandong University



Assay Description
IC50 values against APN were determined as previously described and by using L-Leu-p-nitroanilide as a substrate and microsomal aminopeptidase from P...


J Enzyme Inhib Med Chem 28: 717-26 (2013)


Article DOI: 10.3109/14756366.2012.680062
BindingDB Entry DOI: 10.7270/Q2930S39
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM241964
PNG
(L-isoserine-L-tyrosinase-L-valine (16e))
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](O)CN)C(O)=O |r|
Show InChI InChI=1S/C17H25N3O6/c1-9(2)14(17(25)26)20-15(23)12(19-16(24)13(22)8-18)7-10-3-5-11(21)6-4-10/h3-6,9,12-14,21-22H,7-8,18H2,1-2H3,(H,19,24)(H,20,23)(H,25,26)/t12-,13-,14-/m0/s1
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n/an/a 1.15E+4n/an/an/an/a7.2n/a



Shandong University



Assay Description
IC50 values against APN were determined as previously described and by using L-Leu-p-nitroanilide as a substrate and microsomal aminopeptidase from P...


J Enzyme Inhib Med Chem 28: 717-26 (2013)


Article DOI: 10.3109/14756366.2012.680062
BindingDB Entry DOI: 10.7270/Q2930S39
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM241969
PNG
(L-isoserine-L-phenylglycine-L-leucyl (16k))
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](O)CN)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C17H25N3O5/c1-10(2)8-12(17(24)25)19-16(23)14(11-6-4-3-5-7-11)20-15(22)13(21)9-18/h3-7,10,12-14,21H,8-9,18H2,1-2H3,(H,19,23)(H,20,22)(H,24,25)/t12-,13-,14-/m0/s1
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UniChem
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PubMed
n/an/a 1.16E+4n/an/an/an/a7.2n/a



Shandong University



Assay Description
IC50 values against APN were determined as previously described and by using L-Leu-p-nitroanilide as a substrate and microsomal aminopeptidase from P...


J Enzyme Inhib Med Chem 28: 717-26 (2013)


Article DOI: 10.3109/14756366.2012.680062
BindingDB Entry DOI: 10.7270/Q2930S39
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM241965
PNG
(L-isoserine-L-valine-L-valine (16f))
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](O)CN)C(C)C)C(O)=O |r|
Show InChI InChI=1S/C13H25N3O5/c1-6(2)9(15-11(18)8(17)5-14)12(19)16-10(7(3)4)13(20)21/h6-10,17H,5,14H2,1-4H3,(H,15,18)(H,16,19)(H,20,21)/t8-,9-,10-/m0/s1
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n/an/a 1.36E+4n/an/an/an/a7.2n/a



Shandong University



Assay Description
IC50 values against APN were determined as previously described and by using L-Leu-p-nitroanilide as a substrate and microsomal aminopeptidase from P...


J Enzyme Inhib Med Chem 28: 717-26 (2013)


Article DOI: 10.3109/14756366.2012.680062
BindingDB Entry DOI: 10.7270/Q2930S39
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM241971
PNG
(L-isoserine-L-eucyl-L-tyrosinase (16m))
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)CN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C18H27N3O6/c1-10(2)7-13(20-17(25)15(23)9-19)16(24)21-14(18(26)27)8-11-3-5-12(22)6-4-11/h3-6,10,13-15,22-23H,7-9,19H2,1-2H3,(H,20,25)(H,21,24)(H,26,27)/t13-,14-,15-/m0/s1
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n/an/a 1.75E+4n/an/an/an/a7.2n/a



Shandong University



Assay Description
IC50 values against APN were determined as previously described and by using L-Leu-p-nitroanilide as a substrate and microsomal aminopeptidase from P...


J Enzyme Inhib Med Chem 28: 717-26 (2013)


Article DOI: 10.3109/14756366.2012.680062
BindingDB Entry DOI: 10.7270/Q2930S39
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM241963
PNG
(L-isoserine-L-valine-L-phenylalanine (16d))
Show SMILES CC(C)[C@H](NC(=O)[C@@H](O)CN)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C17H25N3O5/c1-10(2)14(20-15(22)13(21)9-18)16(23)19-12(17(24)25)8-11-6-4-3-5-7-11/h3-7,10,12-14,21H,8-9,18H2,1-2H3,(H,19,23)(H,20,22)(H,24,25)/t12-,13-,14-/m0/s1
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n/an/a 3.02E+4n/an/an/an/a7.2n/a



Shandong University



Assay Description
IC50 values against APN were determined as previously described and by using L-Leu-p-nitroanilide as a substrate and microsomal aminopeptidase from P...


J Enzyme Inhib Med Chem 28: 717-26 (2013)


Article DOI: 10.3109/14756366.2012.680062
BindingDB Entry DOI: 10.7270/Q2930S39
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM241960
PNG
(2-[2-(3-amino-2-hydroxypropanamido)-3-phenylpropan...)
Show SMILES CCC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)CN)C(O)=O |r|
Show InChI InChI=1S/C18H27N3O5/c1-3-11(2)15(18(25)26)21-16(23)13(20-17(24)14(22)10-19)9-12-7-5-4-6-8-12/h4-8,11,13-15,22H,3,9-10,19H2,1-2H3,(H,20,24)(H,21,23)(H,25,26)/t11?,13-,14-,15-/m0/s1
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n/an/a 3.04E+4n/an/an/an/a7.2n/a



Shandong University



Assay Description
IC50 values against APN were determined as previously described and by using L-Leu-p-nitroanilide as a substrate and microsomal aminopeptidase from P...


J Enzyme Inhib Med Chem 28: 717-26 (2013)


Article DOI: 10.3109/14756366.2012.680062
BindingDB Entry DOI: 10.7270/Q2930S39
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM241962
PNG
(L-isoserine-L-phenylglycine-L-valine (16c))
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](O)CN)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C16H23N3O5/c1-9(2)12(16(23)24)18-15(22)13(10-6-4-3-5-7-10)19-14(21)11(20)8-17/h3-7,9,11-13,20H,8,17H2,1-2H3,(H,18,22)(H,19,21)(H,23,24)/t11-,12-,13-/m0/s1
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n/an/a 5.15E+4n/an/an/an/a7.2n/a



Shandong University



Assay Description
IC50 values against APN were determined as previously described and by using L-Leu-p-nitroanilide as a substrate and microsomal aminopeptidase from P...


J Enzyme Inhib Med Chem 28: 717-26 (2013)


Article DOI: 10.3109/14756366.2012.680062
BindingDB Entry DOI: 10.7270/Q2930S39
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM241961
PNG
(L-isoserine-L-phenylalanine-L-valine (16b))
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)CN)C(O)=O |r|
Show InChI InChI=1S/C17H25N3O5/c1-10(2)14(17(24)25)20-15(22)12(19-16(23)13(21)9-18)8-11-6-4-3-5-7-11/h3-7,10,12-14,21H,8-9,18H2,1-2H3,(H,19,23)(H,20,22)(H,24,25)/t12-,13-,14-/m0/s1
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n/an/a 9.40E+4n/an/an/an/a7.2n/a



Shandong University



Assay Description
IC50 values against APN were determined as previously described and by using L-Leu-p-nitroanilide as a substrate and microsomal aminopeptidase from P...


J Enzyme Inhib Med Chem 28: 717-26 (2013)


Article DOI: 10.3109/14756366.2012.680062
BindingDB Entry DOI: 10.7270/Q2930S39
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%