new BindingDB logo
myBDB logout

BDBM50242478 (2S,4S)-4-Fluoro-1-{N-[1-(2-furyl)-1-methylethyl]-glycyl}pyrrolidine-2-carbonitrile::CHEMBL471089

SMILES: CC(C)(NCC(=O)N1C[C@@H](F)C[C@H]1C#N)c1ccco1

InChI Key: InChIKey=SCKKSARPUHVJHJ-QWRGUYRKSA-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 = 50242478   
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))
BDBM50242478
PNG
((2S,4S)-4-Fluoro-1-{N-[1-(2-furyl)-1-methylethyl]-...)
Show SMILES CC(C)(NCC(=O)N1C[C@@H](F)C[C@H]1C#N)c1ccco1 |r|
Show InChI InChI=1S/C14H18FN3O2/c1-14(2,12-4-3-5-20-12)17-8-13(19)18-9-10(15)6-11(18)7-16/h3-5,10-11,17H,6,8-9H2,1-2H3/t10-,11-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.60n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human plasma by fluorescence assay


Bioorg Med Chem 16: 4093-106 (2008)


Article DOI: 10.1016/j.bmc.2008.01.016
BindingDB Entry DOI: 10.7270/Q27H1KGN
More data for this
Ligand-Target Pair