Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50309504'   

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))	BDBM50309504 (CHEMBL598470 | rac-3-(4-(fluoromethyl)pyridin-2-yl...) Show SMILES COc1cc2CCN3C[C@@H](C(N)C[C@H]3c2cc1OC)c1cc(CF)ccn1 |r| Show InChI InChI=1S/C21H26FN3O2/c1-26-20-8-14-4-6-25-12-16(18-7-13(11-22)3-5-24-18)17(23)10-19(25)15(14)9-21(20)27-2/h3,5,7-9,16-17,19H,4,6,10-12,23H2,1-2H3/t16-,17?,19-/m0/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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 20: 1106-8 (2010) Article DOI: 10.1016/j.bmcl.2009.12.025 BindingDB Entry DOI: 10.7270/Q2SJ1KQ3
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