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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50146972'   
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
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50146972
PNG
((S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1...)
Show SMILES N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H24ClN3O/c17-14-6-4-13(5-7-14)12-19-9-8-15(18)16(21)20-10-2-1-3-11-20/h4-7,15,19H,1-3,8-12,18H2/t15-/m0/s1
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Article
PubMed
0.0820n/an/an/an/an/an/an/an/a



Laboratory of Medicinal Chemistry University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 16: 4777-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.082
BindingDB Entry DOI: 10.7270/Q2GM86XS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50146972
PNG
((S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1...)
Show SMILES N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H24ClN3O/c17-14-6-4-13(5-7-14)12-19-9-8-15(18)16(21)20-10-2-1-3-11-20/h4-7,15,19H,1-3,8-12,18H2/t15-/m0/s1
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Article
PubMed
n/an/a 1.65E+5n/an/an/an/an/an/a



University of Antwerp (UA)

Curated by ChEMBL


Assay Description
Inhibition of DPP4


J Med Chem 54: 5737-46 (2011)


Article DOI: 10.1021/jm200383j
BindingDB Entry DOI: 10.7270/Q2G73F37
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50146972
PNG
((S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1...)
Show SMILES N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H24ClN3O/c17-14-6-4-13(5-7-14)12-19-9-8-15(18)16(21)20-10-2-1-3-11-20/h4-7,15,19H,1-3,8-12,18H2/t15-/m0/s1
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n/an/a 1.65E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 18: 4154-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.080
BindingDB Entry DOI: 10.7270/Q2G160N3
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50146972
PNG
((S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1...)
Show SMILES N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H24ClN3O/c17-14-6-4-13(5-7-14)12-19-9-8-15(18)16(21)20-10-2-1-3-11-20/h4-7,15,19H,1-3,8-12,18H2/t15-/m0/s1
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n/an/a 1.65E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of human Dipeptidyl-peptidase IV (DPP IV)


J Med Chem 47: 2906-16 (2004)


Article DOI: 10.1021/jm031122f
BindingDB Entry DOI: 10.7270/Q2TH8M4H
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50146972
PNG
((S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1...)
Show SMILES N[C@@H](CCNCc1ccc(Cl)cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C16H24ClN3O/c17-14-6-4-13(5-7-14)12-19-9-8-15(18)16(21)20-10-2-1-3-11-20/h4-7,15,19H,1-3,8-12,18H2/t15-/m0/s1
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Article
PubMed
n/an/a 1.96E+5n/an/an/an/an/an/a



Laboratory of Medicinal Chemistry University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 16: 4777-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.082
BindingDB Entry DOI: 10.7270/Q2GM86XS
More data for this
Ligand-Target Pair