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BDBM50338623 (R)-3-amino-1-(3-(4-(carboxyl)phenyl)-6,7-dihydro-[1,2,3]triazolo[1,5-a]pyrazin-5(4H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one hydrochloride::CHEMBL1683992

SMILES: N[C@@H](CC(=O)N1CCn2nnc(c2C1)-c1ccc(cc1)C(O)=O)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=AKGVZAMLOAMAEF-OAHLLOKOSA-N

Data: 1 IC50

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

Found 1 hit for monomerid = 50338623   
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))
BDBM50338623
PNG
((R)-3-amino-1-(3-(4-(carboxyl)phenyl)-6,7-dihydro-...)
Show SMILES N[C@@H](CC(=O)N1CCn2nnc(c2C1)-c1ccc(cc1)C(O)=O)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C22H20F3N5O3/c23-16-10-18(25)17(24)8-14(16)7-15(26)9-20(31)29-5-6-30-19(11-29)21(27-28-30)12-1-3-13(4-2-12)22(32)33/h1-4,8,10,15H,5-7,9,11,26H2,(H,32,33)/t15-/m1/s1
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Similars

Article
PubMed
n/an/a 33.8n/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