Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50222485'   

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))	BDBM50222485 ((3R)-3-amino-1-(1,4-dimethyl-2-(trifluoromethyl)-6...) Show SMILES CC1N(CCc2c1nc(n2C)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:1.0| Show InChI InChI=1S/C19H20F6N4O/c1-9-17-15(28(2)18(27-17)19(23,24)25)3-4-29(9)16(30)7-11(26)5-10-6-13(21)14(22)8-12(10)20/h6,8-9,11H,3-5,7,26H2,1-2H3/t9?,11-/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	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 17: 5853-7 (2007) Article DOI: 10.1016/j.bmcl.2007.08.030 BindingDB Entry DOI: 10.7270/Q2T72J8F
					More data for this Ligand-Target Pair