Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50401516'   

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))	BDBM50401516 (CHEMBL2206471) Show SMILES Cn1cncc1-c1cccc(c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1ccccc1F |r| Show InChI InChI=1S/C25H29FN4O3S/c1-30-17-28-16-23(30)19-6-4-7-20(13-19)25(9-11-34(32,33)12-10-25)29-24(31)15-21(27)14-18-5-2-3-8-22(18)26/h2-8,13,16-17,21H,9-12,14-15,27H2,1H3,(H,29,31)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries, Inc. Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cell extracts using Ala-Pro-AFC as substrate after 20 mins by fluorescence assay				Bioorg Med Chem Lett 22: 7036-40 (2012) Article DOI: 10.1016/j.bmcl.2012.09.099 BindingDB Entry DOI: 10.7270/Q2DV1M17
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