BDBM50228393 (R)-1-(4-methoxybenzyl)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-methyl-1H-purine-2,6(3H,7H)-dione::CHEMBL391307

SMILES: COc1ccc(Cn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(CC#CC)c3c2=O)cc1

InChI Key: InChIKey=GEKJAYDKEVECQC-QGZVFWFLSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50228393   

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
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50228393 ((R)-1-(4-methoxybenzyl)-8-(3-aminopiperidin-1-yl)-...) Show SMILES COc1ccc(Cn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(CC#CC)c3c2=O)cc1 Show InChI InChI=1S/C23H28N6O3/c1-4-5-13-28-19-20(25-22(28)27-12-6-7-17(24)15-27)26(2)23(31)29(21(19)30)14-16-8-10-18(32-3)11-9-16/h8-11,17H,6-7,12-15,24H2,1-3H3/t17-/m1/s1	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	518	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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50228393 ((R)-1-(4-methoxybenzyl)-8-(3-aminopiperidin-1-yl)-...) Show SMILES COc1ccc(Cn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(CC#CC)c3c2=O)cc1 Show InChI InChI=1S/C23H28N6O3/c1-4-5-13-28-19-20(25-22(28)27-12-6-7-17(24)15-27)26(2)23(31)29(21(19)30)14-16-8-10-18(32-3)11-9-16/h8-11,17H,6-7,12-15,24H2,1-3H3/t17-/m1/s1	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	8	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