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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 = 'BDBM50198863'   
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))
BDBM50198863
PNG
(6-((3S,5S)-5-(thiazolidine-3-carbonyl)pyrrolidin-3...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(cn1)C#N)N1CCSC1 |r|
Show InChI InChI=1S/C14H17N5OS/c15-6-10-1-2-13(17-7-10)18-11-5-12(16-8-11)14(20)19-3-4-21-9-19/h1-2,7,11-12,16H,3-5,8-9H2,(H,17,18)/t11-,12-/m0/s1
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Article
PubMed
n/an/a 25.4n/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 15: 641-55 (2006)


Article DOI: 10.1016/j.bmc.2006.10.059
BindingDB Entry DOI: 10.7270/Q21N81X1
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198863
PNG
(6-((3S,5S)-5-(thiazolidine-3-carbonyl)pyrrolidin-3...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(cn1)C#N)N1CCSC1 |r|
Show InChI InChI=1S/C14H17N5OS/c15-6-10-1-2-13(17-7-10)18-11-5-12(16-8-11)14(20)19-3-4-21-9-19/h1-2,7,11-12,16H,3-5,8-9H2,(H,17,18)/t11-,12-/m0/s1
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Article
PubMed
n/an/a 25.4n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))
BDBM50198863
PNG
(6-((3S,5S)-5-(thiazolidine-3-carbonyl)pyrrolidin-3...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(cn1)C#N)N1CCSC1 |r|
Show InChI InChI=1S/C14H17N5OS/c15-6-10-1-2-13(17-7-10)18-11-5-12(16-8-11)14(20)19-3-4-21-9-19/h1-2,7,11-12,16H,3-5,8-9H2,(H,17,18)/t11-,12-/m0/s1
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KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 30.4n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
More data for this
Ligand-Target Pair