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BDBM11090 (2S)-1-{[(2S,5R)-5-{[(2-chloropyridin-3-yl)oxy]methyl}pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile::2-cyanopyrrolidine 21n

SMILES: Clc1ncccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=MQFJEMGVPFESQU-AGIUHOORSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 11090   
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))
BDBM11090
PNG
((2S)-1-{[(2S,5R)-5-{[(2-chloropyridin-3-yl)oxy]met...)
Show SMILES Clc1ncccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C16H19ClN4O2/c17-15-14(4-1-7-19-15)23-10-11-5-6-13(20-11)16(22)21-8-2-3-12(21)9-18/h1,4,7,11-13,20H,2-3,5-6,8,10H2/t11-,12+,13+/m1/s1
PDB
MMDB

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Article
PubMed
0.720n/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