Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50225434'   

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))	BDBM50225434 (CHEMBL238114 | benzyl (S)-1-(2-((bis(4-acetamidoph...) Show SMILES CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C2CCCN2C(=O)[C@H](CCCCN)NC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C34H42N5O8P/c1-24(40)36-27-13-17-29(18-14-27)46-48(44,47-30-19-15-28(16-20-30)37-25(2)41)32-12-8-22-39(32)33(42)31(11-6-7-21-35)38-34(43)45-23-26-9-4-3-5-10-26/h3-5,9-10,13-20,31-32H,6-8,11-12,21-23,35H2,1-2H3,(H,36,40)(H,37,41)(H,38,43)/t31-,32?/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	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of human DPP4				J Med Chem 50: 5568-70 (2007) Article DOI: 10.1021/jm701005a BindingDB Entry DOI: 10.7270/Q2S75G2R
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