BDBM50335780 (+/-)-2-{6-[Azepan-3((+/-)-ylamino]-3-methyl-2,4-dioxo-3,4-dihydro-2Hpyrimidin-1-ylmethyl}benzonitrile::CHEMBL1650447

SMILES: Cn1c(=O)cc(NC2CCCCNC2)n(Cc2ccccc2C#N)c1=O

InChI Key: InChIKey=CUTPBADIWWRWAN-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 = 50335780   

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))	BDBM50335780 ((+/-)-2-{6-[Azepan-3((+/-)-ylamino]-3-methyl-2,4-d...) Show SMILES Cn1c(=O)cc(NC2CCCCNC2)n(Cc2ccccc2C#N)c1=O Show InChI InChI=1S/C19H23N5O2/c1-23-18(25)10-17(22-16-8-4-5-9-21-12-16)24(19(23)26)13-15-7-3-2-6-14(15)11-20/h2-3,6-7,10,16,21-22H,4-5,8-9,12-13H2,1H3	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	590	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