BDBM12638 (2S,5R)-5-ethynyl-1-{N-(4-trans(5-cyano-pyridin-2-yloxy)cyclohexyl)glycyl}pyrrolidine-2-carbonitrile::6-{[4-({2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)cyclohexyl]oxy}pyridine-3-carbonitrile::C5-substituted pyrrolidine 31

SMILES O=C(CN[C@H]1CC[C@@H](CC1)Oc1ccc(cn1)C#N)N1[C@H](CC[C@H]1C#N)C#C

InChI Key InChIKey=CBFPTXDGNGGMLX-UHFFFAOYSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 12638   

TargetDipeptidyl peptidase 4(Human)
Abbott Laboratories

LigandPNGBDBM12638(6-{[4-({2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-y...)
Affinity DataKi:  5nMAssay Description:The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2006
Entry Details Article
PubMed
TargetDipeptidyl peptidase 9(Human)
Abbott Laboratories

LigandPNGBDBM12638(6-{[4-({2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-y...)
Affinity DataKi:  2.30E+4nMAssay Description:The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2006
Entry Details Article
PubMed
TargetDipeptidyl peptidase 8(Human)
Abbott Laboratories

LigandPNGBDBM12638(6-{[4-({2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-y...)
Affinity DataKi: >3.00E+4nMAssay Description:The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2006
Entry Details Article
PubMed