BDBM60417 US9051329, Example 1

SMILES CN1C(=O)CN2C1=Nc3c(n(c(n3)N4CCC[C@H](C4)N)Cc5cc(ccc5C#N)F)C2=O

InChI Key InChIKey=KMOYVYIQCXEQDG-UHFFFAOYSA-N

Data  8 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 60417   

TargetDipeptidyl peptidase 4(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM60417(US9051329, Example 1)
Affinity DataIC50: 1.70nMpH: 7.5 T: 2°CAssay Description:DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/25/2016
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetNuclear receptor subfamily 1 group I member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM60417(US9051329, Example 1)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of PXR (unknown origin) assessed as induction of CYP3A4 gene expression after 48 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/17/2017
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM60417(US9051329, Example 1)
Affinity DataIC50: 4.00E+4nMAssay Description:Displacement of [35S]MK499 from human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/17/2017
Entry Details Article
PubMed
TargetDipeptidyl peptidase 9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM60417(US9051329, Example 1)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of DPP9 (unknown origin) preincubated for 20 mins followed by Gly-Pro-AMC addition measured for 50 mins by continuous fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/17/2017
Entry Details Article
PubMed
TargetDipeptidyl peptidase 8(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM60417(US9051329, Example 1)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant DPP8 (unknown origin) preincubated for 20 mins followed by Ala-Pro-AFC addition measured for 40 mins by continuous fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/17/2017
Entry Details Article
PubMed
TargetDipeptidyl peptidase 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM60417(US9051329, Example 1)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of QPP (unknown origin) preincubated for 30 mins followed by Nle-Pro-AMC addition measured for 50 mins by continuous fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/17/2017
Entry Details Article
PubMed
TargetAcyl-protein thioesterase 1(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM60417(US9051329, Example 1)
Affinity DataIC50: 1.63E+4nMAssay Description:Inhibition of FAP (unknown origin) preincubated for 20 mins followed by Nle-Pro-AMC addition measured for 40 mins by continuous fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/17/2017
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM60417(US9051329, Example 1)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of human DPP4 preincubated for 30 mins followed by Gly-Pro-AMC addition measured for 50 mins by continuous fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/17/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)