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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50391467'   
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


(Bos taurus)
BDBM50391467
PNG
(CHEMBL2147057)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(n1Cc1ccccc1Cl)c(=O)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C22H22ClN5O/c23-17-9-3-1-6-14(17)12-28-20-19(16-8-2-4-10-18(16)25-21(20)29)26-22(28)27-11-5-7-15(24)13-27/h1-4,6,8-10,15H,5,7,11-13,24H2,(H,25,29)/t15-/m1/s1
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n/an/a 112n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine DPP4 by HTS assay


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50391467
PNG
(CHEMBL2147057)
Show SMILES N[C@@H]1CCCN(C1)c1nc2c(n1Cc1ccccc1Cl)c(=O)[nH]c1ccccc21 |r|
Show InChI InChI=1S/C22H22ClN5O/c23-17-9-3-1-6-14(17)12-28-20-19(16-8-2-4-10-18(16)25-21(20)29)26-22(28)27-11-5-7-15(24)13-27/h1-4,6,8-10,15H,5,7,11-13,24H2,(H,25,29)/t15-/m1/s1
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 418n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma using Gly-Pro-AMC as substrate by fluorimetric analysis


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair