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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 = 'BDBM50198170'   
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))
BDBM50198170
PNG
(CHEMBL3926320)
Show SMILES N[C@@H]1Cc2c(O[C@H]1c1cc(F)c(F)cc1F)ccc1ccccc21 |r|
Show InChI InChI=1S/C19H14F3NO/c20-14-9-16(22)15(21)7-13(14)19-17(23)8-12-11-4-2-1-3-10(11)5-6-18(12)24-19/h1-7,9,17,19H,8,23H2/t17-,19+/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 110n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin) expressed in Sf9 cells using Gly-Pro-AMC substrate


J Med Chem 59: 6772-90 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50198170
PNG
(CHEMBL3926320)
Show SMILES N[C@@H]1Cc2c(O[C@H]1c1cc(F)c(F)cc1F)ccc1ccccc21 |r|
Show InChI InChI=1S/C19H14F3NO/c20-14-9-16(22)15(21)7-13(14)19-17(23)8-12-11-4-2-1-3-10(11)5-6-18(12)24-19/h1-7,9,17,19H,8,23H2/t17-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using H-Gly-Pro-AMC peptide substrate assessed as increase in fluorescence for 20 mins by fluorimetric assay


J Med Chem 59: 6772-90 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00505
BindingDB Entry DOI: 10.7270/Q2DV1MWF
More data for this
Ligand-Target Pair