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BDBM50338625 (R)-3-amino-1-(3-(4-(dimethyamide)phenyl)-6,7-dihydro-[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one hydrochloride::CHEMBL1683990

SMILES: CN(C)C(=O)c1ccc(cc1)-c1nnn2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=DUIRRNHOZQSQAP-QGZVFWFLSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50338625   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50338625
PNG
((R)-3-amino-1-(3-(4-(dimethyamide)phenyl)-6,7-dihy...)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1nnn2CCN(Cc12)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C24H25F3N6O2/c1-31(2)24(35)15-5-3-14(4-6-15)23-21-13-32(7-8-33(21)30-29-23)22(34)11-17(28)9-16-10-19(26)20(27)12-18(16)25/h3-6,10,12,17H,7-9,11,13,28H2,1-2H3/t17-/m1/s1
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MMDB

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Similars

Article
PubMed
n/an/a 26.6n/an/an/an/an/an/a



Shandong University of Traditional Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 assessed as hydrolytic reaction of Ala-Pro-AMC


Bioorg Med Chem Lett 21: 1731-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.086
BindingDB Entry DOI: 10.7270/Q2N58MN7
More data for this
Ligand-Target Pair