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BDBM11087 (2S)-1-{[(2S,5R)-5-(2-chloro-4-cyanophenoxymethyl)pyrrolidin-2-yl]carbonyl}pyrrolidine-2-carbonitrile::2-cyanopyrrolidine 21k

SMILES: Clc1cc(ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)C#N

InChI Key: InChIKey=NEGWJHQAWQAHOF-YCPHGPKFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 11087   
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 (DPP4)


(Homo sapiens (human))
BDBM11087
PNG
((2S)-1-{[(2S,5R)-5-(2-chloro-4-cyanophenoxymethyl)...)
Show SMILES Clc1cc(ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)C#N
Show InChI InChI=1S/C18H19ClN4O2/c19-15-8-12(9-20)3-6-17(15)25-11-13-4-5-16(22-13)18(24)23-7-1-2-14(23)10-21/h3,6,8,13-14,16,22H,1-2,4-5,7,11H2/t13-,14+,16+/m1/s1
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Similars

Article
PubMed
0.600n/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)

More data for this
Ligand-Target Pair