BDBM11645 2-{[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl]methyl}benzonitrile::Xanthine Analogue 4::Xanthine mimetic compound 6

SMILES CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4C#N)C(=O)N(C1=O)C

InChI Key InChIKey=XJNKUWDMCBZMTG-UHFFFAOYSA-N

Data  6 KI

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 11645   

TargetDipeptidyl peptidase 4(Human)
Abbott Laboratories

LigandPNGBDBM11645(Xanthine mimetic compound 6 | 2-{[8-(3-aminopiperi...)
Affinity DataKi:  2nM ΔG°:  -11.7kcal/molepH: 7.5 T: 2°CAssay Description:The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2006
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDipeptidyl peptidase 4(Human)
Abbott Laboratories

LigandPNGBDBM11645(Xanthine mimetic compound 6 | 2-{[8-(3-aminopiperi...)
Affinity DataKi:  2nM ΔG°:  -11.7kcal/molepH: 7.5 T: 2°CAssay Description:The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/13/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDipeptidyl peptidase 4(Rat)
Abbott Laboratories

LigandPNGBDBM11645(Xanthine mimetic compound 6 | 2-{[8-(3-aminopiperi...)
Affinity DataKi:  3nM ΔG°:  -11.5kcal/molepH: 7.5 T: 2°CAssay Description:The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2006
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDipeptidyl peptidase 4(Rat)
Abbott Laboratories

LigandPNGBDBM11645(Xanthine mimetic compound 6 | 2-{[8-(3-aminopiperi...)
Affinity DataKi:  3nM ΔG°:  -11.5kcal/molepH: 7.5 T: 2°CAssay Description:The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/13/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDipeptidyl peptidase 8(Human)
Abbott Laboratories

LigandPNGBDBM11645(Xanthine mimetic compound 6 | 2-{[8-(3-aminopiperi...)
Affinity DataKi: >3.00E+4nM ΔG°: >-6.10kcal/molepH: 7.5 T: 2°CAssay Description:The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/23/2006
Entry Details Article
PubMed
TargetDipeptidyl peptidase 8(Human)
Abbott Laboratories

LigandPNGBDBM11645(Xanthine mimetic compound 6 | 2-{[8-(3-aminopiperi...)
Affinity DataKi: >3.00E+4nM ΔG°: >-6.10kcal/molepH: 7.5 T: 2°CAssay Description:The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/13/2007
Entry Details Article
PubMed