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BDBM50004100 CHEMBL3236123

SMILES: Cc1cc2ncc(N3C[C@H](CN)[C@H](CC3=O)c3cc(F)c(F)cc3F)c(C)n2n1

InChI Key: InChIKey=KARLWZPXVLEHOU-STQMWFEESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50004100   
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))
BDBM50004100
PNG
(CHEMBL3236123)
Show SMILES Cc1cc2ncc(N3C[C@H](CN)[C@H](CC3=O)c3cc(F)c(F)cc3F)c(C)n2n1 |r|
Show InChI InChI=1S/C20H20F3N5O/c1-10-3-19-25-8-18(11(2)28(19)26-10)27-9-12(7-24)13(5-20(27)29)14-4-16(22)17(23)6-15(14)21/h3-4,6,8,12-13H,5,7,9,24H2,1-2H3/t12-,13-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 119n/an/an/an/an/an/a



M.S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of human DPP-4 expressed in baculovirus expression system using H-Gly-Pro-AMC as substrate after 30 mins by fluorometric analysis


Bioorg Med Chem Lett 24: 1918-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.009
BindingDB Entry DOI: 10.7270/Q2G73G7F
More data for this
Ligand-Target Pair