BDBM50228397 8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methyl-but-2-enyl)-1-(2-oxo-2-phenyl-ethyl)-3,7-dihydro-purine-2,6-dione::CHEMBL237067::CHEMBL237067 (9)

SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-1

InChI Key InChIKey=RWNXMLKAIWDHLU-SFHVURJKSA-N

Data  8 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50228397   

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

LigandPNGBDBM50228397(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
Affinity DataIC50:  3nMAssay 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 ArticlePubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM50228397(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
Affinity DataIC50:  3nMAssay Description:Inhibition of human DPP4 in Caco2 cells by fluorescene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50228397(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
Affinity DataIC50:  50nMAssay Description:Displacement of [N-methyl-3H]-scopolamine from human recombinant muscarinic M1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50228397(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
Affinity DataIC50:  200nMAssay Description:Inhibition of human ERG channelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50228397(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
Affinity DataIC50:  150nMAssay Description:Inhibition of M3 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM50228397(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
Affinity DataKd:  9.20nMAssay Description:Binding affinity to human recombinant DPP4 (39 to 766 residues) at 5 uM by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50228397(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
Affinity DataIC50:  150nMAssay Description:Inhibition of M2 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM50228397(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
Affinity DataIC50:  5nMAssay Description:Inhibition of human recombinant DPP4 (39 to 766 residues) using Ala-Pro-AFC as substrate incubated for 1 hr by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50228397(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
Affinity DataIC50:  50nMAssay Description:Inhibition of M1 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDipeptidyl peptidase 4(Homo sapiens (Human))
China Pharmaceutical University

LigandPNGBDBM50228397(8-((S)-3-amino-piperidin-1-yl)-3-methyl-7-(3-methy...)
Affinity DataKd:  0.420nMAssay Description:Binding affinity to human recombinant DPP4 (39 to 766 residues) by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed