Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50276519'   

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))	BDBM50276519 ((2R,4R)-1-((S)-2-amino-3,3-bis(4-fluorophenyl)prop...) Show SMILES N[C@@H](C(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1C[C@H](F)C[C@@H]1C#N |r| Show InChI InChI=1S/C20H18F3N3O/c21-14-5-1-12(2-6-14)18(13-3-7-15(22)8-4-13)19(25)20(27)26-11-16(23)9-17(26)10-24/h1-8,16-19H,9,11,25H2/t16-,17-,19+/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
Matrix Laboratories Limited Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem 17: 1783-802 (2009) Article DOI: 10.1016/j.bmc.2009.01.061 BindingDB Entry DOI: 10.7270/Q2VD70DJ
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