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.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 123780   

TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123780(2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- ph...)
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
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123780(2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- ph...)
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
TargetDipeptidyl peptidase 1(Bos taurus)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM123780(2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- ph...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of bovine spleen capthepsin CMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 4(Rattus norvegicus (rat))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM123780(2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- ph...)
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
TargetDipeptidyl peptidase 4(Rattus norvegicus (rat))
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM123780(2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- ph...)
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
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM123780(2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4- ph...)
Affinity DataIC50:  240nMAssay Description:Inhibition of human DPP4 isolated from from human CaCo2 cells incubated for 15 mins using Gly-Pro-pNA.Tos substrateMore data for this Ligand-Target Pair