BDBM50228400 8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL237280

SMILES: CC#CCn1c(nc2n(C)c(=O)n(C)c(=O)c12)N1CCCC(N)C1

InChI Key: InChIKey=QMYNNIQBGKLJNX-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50228400   

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))	BDBM50228400 (8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-1,3-dimet...) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(C)c(=O)c12)N1CCCC(N)C1 |w:21.23| Show InChI InChI=1S/C16H22N6O2/c1-4-5-9-22-12-13(19(2)16(24)20(3)14(12)23)18-15(22)21-8-6-7-11(17)10-21/h11H,6-10,17H2,1-3H3	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	88	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