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-KRWDZBQOSA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dipeptidyl peptidase 4 (Homo sapiens (Human)) | BDBM50228399 (8-((S)-3-amino-piperidin-1-yl)-7-but-2-ynyl-3-meth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL | Assay Description Inhibition of human DPP4 in Caco2 cells by fluorescene assay | J Med Chem 50: 6450-3 (2007) Article DOI: 10.1021/jm701280z BindingDB Entry DOI: 10.7270/Q2639PGG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human)) | BDBM50228399 (8-((S)-3-amino-piperidin-1-yl)-7-but-2-ynyl-3-meth...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL | Assay Description Displacement of [N-methyl-3H]-scopolamine from human recombinant muscarinic M1 receptor expressed in CHO cells | J Med Chem 50: 6450-3 (2007) Article DOI: 10.1021/jm701280z BindingDB Entry DOI: 10.7270/Q2639PGG | |||||||||||
More data for this Ligand-Target Pair |