BDBM50335755 2-[2-(3-(R)-Aminopiperidin-1-yl)-5-(3-hydroxyprop-1-ynyl)-6-oxo-6H-pyrimidin-1-ylmethyl]benzonitrile::CHEMBL1650424

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

InChI Key: InChIKey=FVXZVOJBKSJSNY-GOSISDBHSA-N

Data: 2 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 2 hits for monomerid = 50335755   

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))	BDBM50335755 (2-[2-(3-(R)-Aminopiperidin-1-yl)-5-(3-hydroxyprop-...) Show SMILES N[C@@H]1CCCN(C1)c1ncc(C#CCO)c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C20H21N5O2/c21-11-15-5-1-2-6-17(15)13-25-19(27)16(7-4-10-26)12-23-20(25)24-9-3-8-18(22)14-24/h1-2,5-6,12,18,26H,3,8-10,13-14,22H2/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid 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))	BDBM50335755 (2-[2-(3-(R)-Aminopiperidin-1-yl)-5-(3-hydroxyprop-...) Show SMILES N[C@@H]1CCCN(C1)c1ncc(C#CCO)c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C20H21N5O2/c21-11-15-5-1-2-6-17(15)13-25-19(27)16(7-4-10-26)12-23-20(25)24-9-3-8-18(22)14-24/h1-2,5-6,12,18,26H,3,8-10,13-14,22H2/t18-/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	20	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