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BDBM126822 US8785477, Sitagliptin

SMILES: NC(CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=MFFMDFFZMYYVKS-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 2 PDB IDs match this monomer.

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 = 126822   
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 IV


(Rattus norvegicus (rat))
BDBM126822
PNG
(US8785477, Sitagliptin)
Show SMILES NC(CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 26.0n/an/an/an/an/an/a



Shanghai Sun-Sail Pharmaceutical Science & Technology Co., Ltd.

US Patent


Assay Description
Thoroughly mixed test compounds, enzyme and reaction buffer, preincubated the mixture for 15 minutes at 37 C. and then primed reaction by adding sub...


US Patent US8785477 (2014)


BindingDB Entry DOI: 10.7270/Q20K278Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)