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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50243687   
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 8


(Homo sapiens (Human))
BDBM50243687
PNG
(CHEMBL471747 | benzyl (S)-5-amino-6-((2S,4S)-4-azi...)
Show SMILES N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C19H25N7O3/c20-11-16-10-15(24-25-22)12-26(16)18(27)17(21)8-4-5-9-23-19(28)29-13-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-10,12-13,21H2,(H,23,28)/t15-,16-,17-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (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 IV


(Porphyromonas gingivalis)
BDBM50243687
PNG
(CHEMBL471747 | benzyl (S)-5-amino-6-((2S,4S)-4-azi...)
Show SMILES N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C19H25N7O3/c20-11-16-10-15(24-25-22)12-26(16)18(27)17(21)8-4-5-9-23-19(28)29-13-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-10,12-13,21H2,(H,23,28)/t15-,16-,17-/m0/s1
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PC sid
UniChem
Article
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n/an/a 300n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Inhibition of Porphyromonas gingivalis N-terminal His-tagged DPP4 expressed in Escherichia coli using Gly-Pro-p-nitroanilide as substrate


Eur J Med Chem 139: 482-491 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.024
BindingDB Entry DOI: 10.7270/Q25B050P
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50243687
PNG
(CHEMBL471747 | benzyl (S)-5-amino-6-((2S,4S)-4-azi...)
Show SMILES N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C19H25N7O3/c20-11-16-10-15(24-25-22)12-26(16)18(27)17(21)8-4-5-9-23-19(28)29-13-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-10,12-13,21H2,(H,23,28)/t15-,16-,17-/m0/s1
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PC sid
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n/an/a 350n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP2 (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))
BDBM50243687
PNG
(CHEMBL471747 | benzyl (S)-5-amino-6-((2S,4S)-4-azi...)
Show SMILES N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C19H25N7O3/c20-11-16-10-15(24-25-22)12-26(16)18(27)17(21)8-4-5-9-23-19(28)29-13-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-10,12-13,21H2,(H,23,28)/t15-,16-,17-/m0/s1
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n/an/a 530n/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