Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50338404'   

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))	BDBM50338404 (CHEMBL1683111 | trans-N-(4-((R)-1-amino-2-(2,5-dif...) Show SMILES CC(=O)N(Cc1ccccc1)[C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F |r,wU:17.19,11.11,wD:14.15,(24.49,-30.59,;23.16,-29.81,;23.16,-28.27,;21.82,-30.58,;21.82,-32.12,;20.48,-32.89,;19.16,-32.11,;17.82,-32.87,;17.82,-34.42,;19.16,-35.19,;20.49,-34.42,;20.49,-29.81,;19.15,-30.57,;17.82,-29.81,;17.83,-28.27,;19.15,-27.49,;20.49,-28.27,;16.5,-27.5,;16.49,-25.96,;15.16,-28.27,;13.83,-27.51,;13.82,-25.96,;12.49,-25.19,;12.48,-23.65,;11.16,-25.96,;11.16,-27.51,;12.49,-28.28,;12.49,-29.82,)| Show InChI InChI=1S/C23H28F2N2O/c1-16(28)27(15-17-5-3-2-4-6-17)21-10-7-18(8-11-21)23(26)14-19-13-20(24)9-12-22(19)25/h2-6,9,12-13,18,21,23H,7-8,10-11,14-15,26H2,1H3/t18-,21-,23-/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	110	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 21: 1880-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.060 BindingDB Entry DOI: 10.7270/Q2SX6DJG
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