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BDBM11091 (2S)-1-{[(2S,5R)-5-[(2H-1,3-benzodioxol-5-yloxy)methyl]pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile::2-cyanopyrrolidine 21o

SMILES: O=C([C@@H]1CC[C@H](COc2ccc3OCOc3c2)N1)N1CCC[C@H]1C#N

InChI Key: InChIKey=DAFHPCGDWZJTNO-IPYPFGDCSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 11091   
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))
BDBM11091
PNG
((2S)-1-{[(2S,5R)-5-[(2H-1,3-benzodioxol-5-yloxy)me...)
Show SMILES O=C([C@@H]1CC[C@H](COc2ccc3OCOc3c2)N1)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C18H21N3O4/c19-9-13-2-1-7-21(13)18(22)15-5-3-12(20-15)10-23-14-4-6-16-17(8-14)25-11-24-16/h4,6,8,12-13,15,20H,1-3,5,7,10-11H2/t12-,13+,15+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...


J Med Chem 49: 3520-35 (2006)


Article DOI: 10.1021/jm051283e
BindingDB Entry DOI: 10.7270/Q2WS8RG1
More data for this
Ligand-Target Pair