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BDBM50153395 CHEMBL364140::Trifluoro-acetate3-{(S)-2-[4-((R)-1-carboxy-2-methyl-propoxy)-benzylcarbamoyl]-pyrrolidin-1-yl}-1-(2-fluoro-4-trifluoromethyl-benzyl)-3-oxo-propyl-ammonium;

SMILES: CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC([NH3+])Cc2ccc(cc2F)C(F)(F)F)cc1)C(O)=O

InChI Key: InChIKey=UKBYVMAOGQSENV-RYORKLGYSA-O

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50153395   
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))		BDBM50153395
PNG
(CHEMBL364140 | Trifluoro-acetate3-{(S)-2-[4-((R)-1...)
Show SMILES CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)CC([NH3+])Cc2ccc(cc2F)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C28H33F4N3O5/c1-16(2)25(27(38)39)40-21-9-5-17(6-10-21)15-34-26(37)23-4-3-11-35(23)24(36)14-20(33)12-18-7-8-19(13-22(18)29)28(30,31)32/h5-10,13,16,20,23,25H,3-4,11-12,14-15,33H2,1-2H3,(H,34,37)(H,38,39)/p+1/t20?,23-,25+/m0/s1
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Article
PubMed
n/an/a 0.830n/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