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BDBM50153408 CHEMBL186787::Trifluoro-acetate3-[(S)-2-(4-carboxymethoxy-benzylcarbamoyl)-pyrrolidin-1-yl]-1-(2-fluoro-benzyl)-3-oxo-propyl-ammonium;

SMILES: [NH3+]C(CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(OCC(O)=O)cc1)Cc1ccccc1F

InChI Key: InChIKey=RLUFYCVWOAJGNF-ZYZRXSCRSA-O

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50153408   
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))
BDBM50153408
PNG
(CHEMBL186787 | Trifluoro-acetate3-[(S)-2-(4-carbox...)
Show SMILES [NH3+]C(CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(OCC(O)=O)cc1)Cc1ccccc1F
Show InChI InChI=1S/C24H28FN3O5/c25-20-5-2-1-4-17(20)12-18(26)13-22(29)28-11-3-6-21(28)24(32)27-14-16-7-9-19(10-8-16)33-15-23(30)31/h1-2,4-5,7-10,18,21H,3,6,11-15,26H2,(H,27,32)(H,30,31)/p+1/t18?,21-/m0/s1
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Article
PubMed
n/an/a 118n/an/an/an/an/an/a



Merck & Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Dipeptidylpeptidase IV


Bioorg Med Chem Lett 14: 5151-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.056
BindingDB Entry DOI: 10.7270/Q2QR4WM2
More data for this
Ligand-Target Pair