Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50209958'   

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))	BDBM50209958 ((2S,3S,11bS)-3-(3-chlorophenyl)-9,10-dimethoxy-2,3...) Show SMILES COc1cc2CCN3C[C@@H]([C@@H](N)C[C@H]3c2cc1OC)c1cccc(Cl)c1 Show InChI InChI=1S/C21H25ClN2O2/c1-25-20-9-14-6-7-24-12-17(13-4-3-5-15(22)8-13)18(23)11-19(24)16(14)10-21(20)26-2/h3-5,8-10,17-19H,6-7,11-12,23H2,1-2H3/t17-,18+,19+/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	4	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 17: 2966-70 (2007) Article DOI: 10.1016/j.bmcl.2007.03.072 BindingDB Entry DOI: 10.7270/Q23T9GWP
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