BDBM50335774 2-((2-(3-(R)-Aminopiperidin-1-yl)-5-bromo-6-oxopyrimidin-1(6H)-yl)methyl)benzonitrile::2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile::CHEMBL1235761

SMILES: N[C@@H]1CCCN(C1)c1ncc(Br)c(=O)n1Cc1ccccc1C#N

InChI Key: InChIKey=GGCILSXUAHLDMF-CQSZACIVSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50335774   

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 VIII (Homo sapiens (Human))	BDBM50335774 (2-((2-(3-(R)-Aminopiperidin-1-yl)-5-bromo-6-oxopyr...) Show SMILES N[C@@H]1CCCN(C1)c1ncc(Br)c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C17H18BrN5O/c18-15-9-21-17(22-7-3-6-14(20)11-22)23(16(15)24)10-13-5-2-1-4-12(13)8-19/h1-2,4-5,9,14H,3,6-7,10-11,20H2/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego, Inc. Curated by ChEMBL					Assay Description Inhibition of human DPP8				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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50335774 (2-((2-(3-(R)-Aminopiperidin-1-yl)-5-bromo-6-oxopyr...) Show SMILES N[C@@H]1CCCN(C1)c1ncc(Br)c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C17H18BrN5O/c18-15-9-21-17(22-7-3-6-14(20)11-22)23(16(15)24)10-13-5-2-1-4-12(13)8-19/h1-2,4-5,9,14H,3,6-7,10-11,20H2/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	5	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				3D Structure (crystal)