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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 = 'BDBM50210653'   
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))
BDBM50210653
PNG
((R)-3-amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1c(F)ccc(F)c1F |r|
Show InChI InChI=1S/C16H15F6N5O/c17-10-1-2-11(18)14(19)9(10)5-8(23)6-13(28)26-3-4-27-12(7-26)24-25-15(27)16(20,21)22/h1-2,8H,3-7,23H2/t8-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 151n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


J Med Chem 51: 4359-69 (2008)


Article DOI: 10.1021/jm800219f
BindingDB Entry DOI: 10.7270/Q28915N5
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50210653
PNG
((R)-3-amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1c(F)ccc(F)c1F |r|
Show InChI InChI=1S/C16H15F6N5O/c17-10-1-2-11(18)14(19)9(10)5-8(23)6-13(28)26-3-4-27-12(7-26)24-25-15(27)16(20,21)22/h1-2,8H,3-7,23H2/t8-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 151n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of DPP4 activity


Bioorg Med Chem Lett 17: 3373-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.098
BindingDB Entry DOI: 10.7270/Q2W37W04
More data for this
Ligand-Target Pair