BindingDB logo
myBDB logout

BDBM50337771 2-(3-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)thiazolidine-2-carboxamido)methyl)phenoxy)acetic acid hydrochloride::CHEMBL1683490

SMILES: N[C@@H](CC(=O)N1CCSC1C(=O)NCc1cccc(OCC(O)=O)c1)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=IIWKMMFEKKPJQI-NKTHEXPSSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50337771   
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))
BDBM50337771
PNG
(2-(3-((3-((R)-3-amino-4-(2,4,5-trifluorophenyl)but...)
Show SMILES N[C@@H](CC(=O)N1CCSC1C(=O)NCc1cccc(OCC(O)=O)c1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C23H24F3N3O5S/c24-17-10-19(26)18(25)8-14(17)7-15(27)9-20(30)29-4-5-35-23(29)22(33)28-11-13-2-1-3-16(6-13)34-12-21(31)32/h1-3,6,8,10,15,23H,4-5,7,9,11-12,27H2,(H,28,33)(H,31,32)/t15-,23?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 102n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 after 60 mins by fluorescence plate reader


Bioorg Med Chem Lett 21: 1366-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.041
BindingDB Entry DOI: 10.7270/Q25B02R9
More data for this
Ligand-Target Pair