Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50335800'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50335800 (2-[2-(3-(R)-Aminopiperidin-1-yl)-4-methyl-6-oxo-5-...) Show SMILES N[C@@H]1CCCN(C1)c1ncc(\C=C\c2ccccc2)c(=O)n1Cc1ccccc1C#N |r| Show InChI InChI=1S/C25H25N5O/c26-15-20-9-4-5-10-22(20)17-30-24(31)21(13-12-19-7-2-1-3-8-19)16-28-25(30)29-14-6-11-23(27)18-29/h1-5,7-10,12-13,16,23H,6,11,14,17-18,27H2/b13-12+/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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
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