BDBM123780 2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- phenylisoquinolin-6-yl]oxy}acetamide (19)::CHEMBL1808475

SMILES CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(OCC(N)=O)ccc2c1=O

InChI Key InChIKey=GODOFGUHKFCHSR-UHFFFAOYSA-N

Data  6 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 123780   

TargetDipeptidyl peptidase 4(Human)
China Pharmaceutical University

LigandPNGBDBM123780(CHEMBL1808475 | 2-{[3-(aminomethyl)-2-(2-methylpro...)
Affinity DataIC50: 240nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDipeptidyl peptidase 4(Human)
China Pharmaceutical University

LigandPNGBDBM123780(CHEMBL1808475 | 2-{[3-(aminomethyl)-2-(2-methylpro...)
Affinity DataIC50: 47nMAssay Description:Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDipeptidyl peptidase 4(Human)
China Pharmaceutical University

LigandPNGBDBM123780(CHEMBL1808475 | 2-{[3-(aminomethyl)-2-(2-methylpro...)
Affinity DataIC50: 240nMAssay Description:Inhibition of human DPP4 isolated from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetDipeptidyl peptidase 4(Rat)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM123780(CHEMBL1808475 | 2-{[3-(aminomethyl)-2-(2-methylpro...)
Affinity DataIC50: 150nMAssay Description:Inhibition of DPP4 in rat plasma incubated for 60 mins using H-lys-Ala-pNA.2HCl substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDipeptidyl peptidase 4(Rat)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM123780(CHEMBL1808475 | 2-{[3-(aminomethyl)-2-(2-methylpro...)
Affinity DataIC50: 6.10E+4nMAssay Description:Inhibition of DPP4 in rat spleen incubated for 60 mins using H-lys-Ala-pNA.2HCl substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDipeptidyl peptidase 1(Bovine)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM123780(CHEMBL1808475 | 2-{[3-(aminomethyl)-2-(2-methylpro...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of bovine spleen cathepsin CMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed