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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50206058'   
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))
BDBM50206058
PNG
(6-(4-((3S,5S)-5-(thiazolidine-3-carbonyl)pyrrolidi...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccc(cn1)C#N)N1CCSC1
Show InChI InChI=1S/C18H24N6OS/c19-10-14-1-2-17(21-11-14)23-5-3-22(4-6-23)15-9-16(20-12-15)18(25)24-7-8-26-13-24/h1-2,11,15-16,20H,3-9,12-13H2/t15-,16-/m0/s1
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Article
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n/an/a 1n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem Lett 17: 2618-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.110
BindingDB Entry DOI: 10.7270/Q29023GP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))
BDBM50206058
PNG
(6-(4-((3S,5S)-5-(thiazolidine-3-carbonyl)pyrrolidi...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccc(cn1)C#N)N1CCSC1
Show InChI InChI=1S/C18H24N6OS/c19-10-14-1-2-17(21-11-14)23-5-3-22(4-6-23)15-9-16(20-12-15)18(25)24-7-8-26-13-24/h1-2,11,15-16,20H,3-9,12-13H2/t15-,16-/m0/s1
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Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma by fluorescence assay


Bioorg Med Chem Lett 17: 2618-21 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.110
BindingDB Entry DOI: 10.7270/Q29023GP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50206058
PNG
(6-(4-((3S,5S)-5-(thiazolidine-3-carbonyl)pyrrolidi...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccc(cn1)C#N)N1CCSC1
Show InChI InChI=1S/C18H24N6OS/c19-10-14-1-2-17(21-11-14)23-5-3-22(4-6-23)15-9-16(20-12-15)18(25)24-7-8-26-13-24/h1-2,11,15-16,20H,3-9,12-13H2/t15-,16-/m0/s1
PDB
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PC sid
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Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay


Bioorg Med Chem 20: 5705-19 (2012)


Article DOI: 10.1016/j.bmc.2012.08.012
BindingDB Entry DOI: 10.7270/Q2JQ123C
More data for this
Ligand-Target Pair