Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50333179'   

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))	BDBM50333179 (1-{[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-...) Show SMILES CC(C)Cc1nc(C)c(CC(=O)N2CCC[C@@H]2C(O)=O)c(-c2ccc(C)cc2)c1CN |r| Show InChI InChI=1S/C25H33N3O3/c1-15(2)12-21-20(14-26)24(18-9-7-16(3)8-10-18)19(17(4)27-21)13-23(29)28-11-5-6-22(28)25(30)31/h7-10,15,22H,5-6,11-14,26H2,1-4H3,(H,30,31)/t22-/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	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair