Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50209940'   

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))	BDBM50209940 (1-(3,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)pipe...) Show SMILES COc1ccc(cc1OC)N1CCC(N)C(C1)c1ccc(C)c(C)c1 |w:13.14,15.18| Show InChI InChI=1S/C21H28N2O2/c1-14-5-6-16(11-15(14)2)18-13-23(10-9-19(18)22)17-7-8-20(24-3)21(12-17)25-4/h5-8,11-12,18-19H,9-10,13,22H2,1-4H3	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	3.13E+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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