BDBM50335754 2-[2-(3-(R)-Aminopiperidin-1-yl)-5-(3,3-dimethylbut-1-ynyl)-6-oxo-6H-pyrimidin-1-ylmethyl]benzonitrile::CHEMBL1650425

SMILES: CC(C)(C)C#Cc1cnc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O

InChI Key: InChIKey=BDMZTRWFJBAKDL-HXUWFJFHSA-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 = 50335754   

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))	BDBM50335754 (2-[2-(3-(R)-Aminopiperidin-1-yl)-5-(3,3-dimethylbu...) Show SMILES CC(C)(C)C#Cc1cnc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O |r| Show InChI InChI=1S/C23H27N5O/c1-23(2,3)11-10-18-14-26-22(27-12-6-9-20(25)16-27)28(21(18)29)15-19-8-5-4-7-17(19)13-24/h4-5,7-8,14,20H,6,9,12,15-16,25H2,1-3H3/t20-/m1/s1	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	570	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