BDBM50228399 8-((S)-3-amino-piperidin-1-yl)-7-but-2-ynyl-3-methyl-1-(2-oxo-2-phenyl-ethyl)-3,7-dihydro-purine-2,6-dione::CHEMBL237288

SMILES CC#CCn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3)c(=O)c12)N1CCC[C@H](N)C1

InChI Key InChIKey=RTLMDPZJJMPFHI-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50228399   

TargetMuscarinic acetylcholine receptor M1(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50228399(8-((S)-3-amino-piperidin-1-yl)-7-but-2-ynyl-3-meth...)
Affinity DataIC50: 1.13E+3nMAssay Description:Displacement of [N-methyl-3H]scopolamine from human recombinant muscarinic M1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed
TargetDipeptidyl peptidase 4(Human)
Boehringer Ingelheim Pharma

Curated by ChEMBL
LigandPNGBDBM50228399(8-((S)-3-amino-piperidin-1-yl)-7-but-2-ynyl-3-meth...)
Affinity DataIC50: 9nMAssay Description:Inhibition of human DPP4 in Caco-2 cells by fluorescene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed