Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50207279'   

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))	BDBM50207279 (CHEMBL3979866) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)C(=O)OC3CCCCC3)c(=O)c12)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C30H45N7O4/c1-3-4-17-36-25-26(32-29(36)35-16-8-10-23(31)21-35)33(2)30(40)37(27(25)38)18-9-15-34-19-13-22(14-20-34)28(39)41-24-11-6-5-7-12-24/h22-24H,5-21,31H2,1-2H3/t23-/m1/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	360	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-p-nitroanilide as substrate incubated for 1 hr				Eur J Med Chem 124: 103-116 (2016) Article DOI: 10.1016/j.ejmech.2016.08.023 BindingDB Entry DOI: 10.7270/Q2FJ2JRD
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