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BDBM11089 2-cyanopyrrolidine 21m::5-chloro-2-{[(2R,5S)-5-{[(2S)-2-cyanopyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methoxy}benzoic acid

SMILES: OC(=O)c1cc(Cl)ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=FAIPBAJGPKMFRU-IPYPFGDCSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 11089   
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))
BDBM11089
PNG
(2-cyanopyrrolidine 21m | 5-chloro-2-{[(2R,5S)-5-{[...)
Show SMILES OC(=O)c1cc(Cl)ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N |r|
Show InChI InChI=1S/C18H20ClN3O4/c19-11-3-6-16(14(8-11)18(24)25)26-10-12-4-5-15(21-12)17(23)22-7-1-2-13(22)9-20/h3,6,8,12-13,15,21H,1-2,4-5,7,10H2,(H,24,25)/t12-,13+,15+/m1/s1
PDB
MMDB

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10n/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