BDBM50335781 2-[6-(2-Aminoethylamino)-3-ethyl-2,4-dioxo-3,4-dihydro-2Hpyrimidin-1-ylmethyl]benzonitrile::CHEMBL1650446

SMILES: CCn1c(=O)cc(NCCN)n(Cc2ccccc2C#N)c1=O

InChI Key: InChIKey=XMLPEIMJNXFXFP-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 = 50335781   

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))	BDBM50335781 (2-[6-(2-Aminoethylamino)-3-ethyl-2,4-dioxo-3,4-dih...) Show SMILES CCn1c(=O)cc(NCCN)n(Cc2ccccc2C#N)c1=O Show InChI InChI=1S/C16H19N5O2/c1-2-20-15(22)9-14(19-8-7-17)21(16(20)23)11-13-6-4-3-5-12(13)10-18/h3-6,9,19H,2,7-8,11,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego, Inc. Curated by ChEMBL					Assay Description Inhibition of human DPP4				J Med Chem 54: 510-24 (2011) Article DOI: 10.1021/jm101016w BindingDB Entry DOI: 10.7270/Q24X5828
					More data for this Ligand-Target Pair