BindingDB logo
myBDB logout

BDBM50276519 (2R,4R)-1-((S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl)-4-fluoropyrrolidine-2-carbonitrile::CHEMBL456413

SMILES: N[C@@H](C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1C[C@H](F)C[C@@H]1C#N

InChI Key: InChIKey=URRAHSMDPCMOTH-LMMKCTJWSA-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 = 50276519   
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))
BDBM50276519
PNG
((2R,4R)-1-((S)-2-amino-3,3-bis(4-fluorophenyl)prop...)
Show SMILES N[C@@H](C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1C[C@H](F)C[C@@H]1C#N |r|
Show InChI InChI=1S/C20H18F3N3O/c21-14-5-1-12(2-6-14)18(13-3-7-15(22)8-4-13)19(25)20(27)26-11-16(23)9-17(26)10-24/h1-8,16-19H,9,11,25H2/t16-,17-,19+/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 22n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
More data for this
Ligand-Target Pair