BDBM50335772 2-((2-(3-(R)-Aminopiperidin-1-yl)-5-bromo-4-tert-butyl-6-oxopyrimidin-1(6H)-yl)methyl)benzonitrile::CHEMBL1650407

SMILES: CC(C)(C)c1nc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c(=O)c1Br

InChI Key: InChIKey=ROWSWSYVRWESPI-MRXNPFEDSA-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 = 50335772   

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))	BDBM50335772 (2-((2-(3-(R)-Aminopiperidin-1-yl)-5-bromo-4-tert-b...) Show SMILES CC(C)(C)c1nc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c(=O)c1Br |r| Show InChI InChI=1S/C21H26BrN5O/c1-21(2,3)18-17(22)19(28)27(12-15-8-5-4-7-14(15)11-23)20(25-18)26-10-6-9-16(24)13-26/h4-5,7-8,16H,6,9-10,12-13,24H2,1-3H3/t16-/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	7.40E+3	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