BDBM17319 (2S,3S)-3-{4-[(3-fluorobenzene)(methyl)amido]cyclohexyl}-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium::cyclohexylalanine derived inhibitor, 21

SMILES C[C@H]([C@H]([NH3+])C(=O)N1CC[C@H](F)C1)C1CCC(CC1)N(C)C(=O)c1cccc(F)c1

InChI Key InChIKey=IWHCXFRFGBWWJN-UHFFFAOYSA-O

Data  3 IC50

  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 = 17319   

TargetDipeptidyl peptidase 4(Human)
Merck Research Laboratories

LigandPNGBDBM17319((2S,3S)-3-{4-[(3-fluorobenzene)(methyl)amido]cyclo...)
Affinity DataIC50: 22nMpH: 7.5 T: 2°CAssay Description:The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2007
Entry Details Article
PubMed
TargetDipeptidyl peptidase 8(Human)
Merck Research Laboratories

LigandPNGBDBM17319((2S,3S)-3-{4-[(3-fluorobenzene)(methyl)amido]cyclo...)
Affinity DataIC50: 6.30E+3nMAssay Description:The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2007
Entry Details Article
PubMed
TargetDipeptidyl peptidase 9(Human)
Merck Research Laboratories

LigandPNGBDBM17319((2S,3S)-3-{4-[(3-fluorobenzene)(methyl)amido]cyclo...)
Affinity DataIC50: 4.60E+4nMAssay Description:The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2007
Entry Details Article
PubMed