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BDBM12630 (2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-ethenylpyrrolidine-2-carbonitrile::(2S,5R)-1-[(2S)-2-amino-2-cyclopentylethanoyl]-5-vinylpyrrolidine-2-carbonitrile::C5-substituted pyrrolidine 18

SMILES: N[C@@H](C1CCCC1)C(=O)N1[C@H](CC[C@H]1C#N)C=C

InChI Key: InChIKey=SOGGVAAJATVSRA-AVGNSLFASA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 12630   
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))
BDBM12630
PNG
((2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-eth...)
Show SMILES N[C@@H](C1CCCC1)C(=O)N1[C@H](CC[C@H]1C#N)C=C |r|
Show InChI InChI=1S/C14H21N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h2,10-13H,1,3-8,16H2/t11-,12-,13-/m0/s1
PDB
MMDB

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PC sid
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Similars

Article
PubMed
3.80E+3 -7.31n/an/an/an/an/a7.522



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: 6416-20 (2006)


Article DOI: 10.1021/jm060777o
BindingDB Entry DOI: 10.7270/Q2M043M1
More data for this
Ligand-Target Pair