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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50019376   
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


(Homo sapiens (Human))
BDBM50204146
PNG
(1-amino-2-phenylethyl(1-hydroxy-3-phenylpropyl)pho...)
Show SMILES NC(Cc1ccccc1)P(O)(O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C17H22NO3P/c18-16(13-15-9-5-2-6-10-15)22(20,21)17(19)12-11-14-7-3-1-4-8-14/h1-10,16,20-22H,11-13,18H2
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n/an/a 240n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204160
PNG
(1-amino-2-methylpropyl(1-hydroxy-3-phenylpropyl)ph...)
Show SMILES CC(C)C(N)P(O)(O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C13H22NO3P/c1-10(2)13(14)18(16,17)12(15)9-8-11-6-4-3-5-7-11/h3-7,10,13,16-18H,8-9,14H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204163
PNG
(CHEMBL227345 | alpha1-(1-amino-3-methylbutane)-alp...)
Show SMILES CC(C)CC(N)=P(O)(O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C13H21N2O3P/c1-10(2)8-12(14)19(17,18)13(16)15-9-11-6-4-3-5-7-11/h3-7,10,17-18H,8-9,14H2,1-2H3,(H,15,16)
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n/an/a 530n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204159
PNG
(CHEMBL226863 | alpha1-(1-amino-1-phenylmethane)-al...)
Show SMILES NC(Cc1ccccc1)P(O)(O)C(=O)Cc1ccccc1
Show InChI InChI=1S/C16H20NO3P/c17-15(11-13-7-3-1-4-8-13)21(19,20)16(18)12-14-9-5-2-6-10-14/h1-10,15,19-21H,11-12,17H2
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n/an/a 550n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204161
PNG
(CHEMBL227290 | bis-alpha-(1-amino-1-phenylmethane)...)
Show SMILES NC(Cc1ccccc1)P(O)(O)C(=N)Cc1ccccc1
Show InChI InChI=1S/C16H21N2O2P/c17-15(11-13-7-3-1-4-8-13)21(19,20)16(18)12-14-9-5-2-6-10-14/h1-10,15,18-21H,11-12,17H2
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n/an/a 600n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204157
PNG
(CHEMBL227340 | alpha1-(1-amino-1-phenylmethane)-al...)
Show SMILES NC(Cc1ccccc1)P(O)(O)C(=N)CCc1ccccc1
Show InChI InChI=1S/C17H23N2O2P/c18-16(12-11-14-7-3-1-4-8-14)22(20,21)17(19)13-15-9-5-2-6-10-15/h1-10,17-18,20-22H,11-13,19H2
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n/an/a 710n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204149
PNG
(CHEMBL390323 | bis-alpha-(1-amino-3-phenylpropane)...)
Show SMILES NC(CCc1ccccc1)P(O)(O)C(=N)CCc1ccccc1
Show InChI InChI=1S/C18H25N2O2P/c19-17(13-11-15-7-3-1-4-8-15)23(21,22)18(20)14-12-16-9-5-2-6-10-16/h1-10,17,20-23H,11-14,19H2
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n/an/a 830n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204148
PNG
(CHEMBL227347 | alpha1-(1-amino-2-methylpropane)-al...)
Show SMILES CC(C)C(N)=P(O)(O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C12H19N2O3P/c1-9(2)11(13)18(16,17)12(15)14-8-10-6-4-3-5-7-10/h3-7,9,16-17H,8,13H2,1-2H3,(H,14,15)
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n/an/a 930n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204150
PNG
(1-amino-3-methylbutyl(1-hydroxy-3-phenylpropyl)pho...)
Show SMILES CC(C)CC(N)P(O)(O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C14H24NO3P/c1-11(2)10-13(15)19(17,18)14(16)9-8-12-6-4-3-5-7-12/h3-7,11,13,17-19H,8-10,15H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204168
PNG
(1-amino-3-methylbutyl(1-hydroxypentyl)phosphinic a...)
Show SMILES CCCCC(=O)P(O)(O)C(N)CC(C)C
Show InChI InChI=1S/C10H24NO3P/c1-4-5-6-10(12)15(13,14)9(11)7-8(2)3/h8-9,13-15H,4-7,11H2,1-3H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204147
PNG
(1-amino-2-phenylethyl(1-amino-3-methylbutyl)phosph...)
Show SMILES CC(C)CC(N)P(O)(O)C(=N)Cc1ccccc1
Show InChI InChI=1S/C13H23N2O2P/c1-10(2)8-12(14)18(16,17)13(15)9-11-6-4-3-5-7-11/h3-7,10,12,15-18H,8-9,14H2,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204152
PNG
(1-amino-2-phenylethyl(1-hydroxy-3-methylbutyl)phos...)
Show SMILES CC(C)CC(=O)P(O)(O)C(N)Cc1ccccc1
Show InChI InChI=1S/C13H22NO3P/c1-10(2)8-13(15)18(16,17)12(14)9-11-6-4-3-5-7-11/h3-7,10,12,16-18H,8-9,14H2,1-2H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204156
PNG
(1-amino-2-phenylethyl(1-aminobutyl)phosphinic acid...)
Show SMILES CCCC(N)P(O)(O)C(=N)Cc1ccccc1
Show InChI InChI=1S/C12H21N2O2P/c1-2-6-11(13)17(15,16)12(14)9-10-7-4-3-5-8-10/h3-5,7-8,11,14-17H,2,6,9,13H2,1H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204166
PNG
(1-amino-2-phenylethyl(1-hydroxypentyl)phosphinic a...)
Show SMILES CCCCC(=O)P(O)(O)C(N)Cc1ccccc1
Show InChI InChI=1S/C13H22NO3P/c1-2-3-9-13(15)18(16,17)12(14)10-11-7-5-4-6-8-11/h4-8,12,16-18H,2-3,9-10,14H2,1H3
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n/an/a 2.80E+4n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204154
PNG
(1-amino-3-methylbutyl(phenylcarbamoyl)phosphinic a...)
Show SMILES CC(C)CC(N)=P(O)(O)C(O)=Nc1ccccc1 |w:11.11|
Show InChI InChI=1S/C12H19N2O3P/c1-9(2)8-11(13)18(16,17)12(15)14-10-6-4-3-5-7-10/h3-7,9,16-17H,8,13H2,1-2H3,(H,14,15)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204167
PNG
(1-amino-2-phenylethyl(aminomethyl)phosphinic acid ...)
Show SMILES NCP(O)(O)C(=N)Cc1ccccc1
Show InChI InChI=1S/C9H15N2O2P/c10-7-14(12,13)9(11)6-8-4-2-1-3-5-8/h1-5,11-14H,6-7,10H2
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n/an/a 4.20E+4n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204151
PNG
(1-amino-2-phenylethyl(1-aminoethyl)phosphinic acid...)
Show SMILES CC(N)P(O)(O)C(=N)Cc1ccccc1
Show InChI InChI=1S/C10H17N2O2P/c1-8(11)15(13,14)10(12)7-9-5-3-2-4-6-9/h2-6,8,12-15H,7,11H2,1H3
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n/an/a 4.60E+4n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204158
PNG
(1-amino-2-phenylethyl(1-hydroxyethyl)phosphinic ac...)
Show SMILES CC(=O)P(O)(O)C(N)Cc1ccccc1
Show InChI InChI=1S/C10H16NO3P/c1-8(12)15(13,14)10(11)7-9-5-3-2-4-6-9/h2-6,10,13-15H,7,11H2,1H3
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n/an/a 4.80E+4n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204162
PNG
(1-amino-3-methylbutyl(1-aminobutyl)phosphinic acid...)
Show SMILES CCCC(N)P(O)(O)C(=N)CC(C)C
Show InChI InChI=1S/C9H23N2O2P/c1-4-5-8(10)14(12,13)9(11)6-7(2)3/h7-8,11-14H,4-6,10H2,1-3H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204164
PNG
(CHEMBL390324 | bis(1-amino-3-methylbutyl)phosphini...)
Show SMILES CC(C)CC(N)P(O)(O)C(=N)CC(C)C
Show InChI InChI=1S/C10H25N2O2P/c1-7(2)5-9(11)15(13,14)10(12)6-8(3)4/h7-9,12-15H,5-6,11H2,1-4H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204155
PNG
(1-amino-3-methylbutyl(aminomethyl)phosphinic acid ...)
Show SMILES CC(C)CC(=N)P(O)(O)CN
Show InChI InChI=1S/C6H17N2O2P/c1-5(2)3-6(8)11(9,10)4-7/h5,8-11H,3-4,7H2,1-2H3
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n/an/a 7.60E+4n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204153
PNG
(1-amino-3-methylbutyl(1-aminoethyl)phosphinic acid...)
Show SMILES CC(C)CC(=N)P(O)(O)C(C)N
Show InChI InChI=1S/C7H19N2O2P/c1-5(2)4-7(9)12(10,11)6(3)8/h5-6,9-12H,4,8H2,1-3H3
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Article
PubMed
n/an/a 1.55E+5n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50204165
PNG
(1-amino-2-methylpropyl(phenylcarbamoyl)phosphinic ...)
Show SMILES CC(C)C(N)=P(O)(O)C(O)=Nc1ccccc1 |w:10.10|
Show InChI InChI=1S/C11H17N2O3P/c1-8(2)10(12)17(15,16)11(14)13-9-6-4-3-5-7-9/h3-8,15-16H,12H2,1-2H3,(H,13,14)
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Article
PubMed
n/an/a 1.60E+5n/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of APN


Bioorg Med Chem Lett 17: 1516-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.028
BindingDB Entry DOI: 10.7270/Q2C24W3B
More data for this
Ligand-Target Pair