Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50207282'   

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))	BDBM50207282 (CHEMBL3915044) Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCC(CC3)C(=O)Nc3ccc(F)cc3)c(=O)c12)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C30H39FN8O3/c1-3-4-16-38-25-26(34-29(38)37-15-5-7-23(32)20-37)35(2)30(42)39(28(25)41)17-6-14-36-18-12-21(13-19-36)27(40)33-24-10-8-22(31)9-11-24/h8-11,21,23H,5-7,12-20,32H2,1-2H3,(H,33,40)/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	510	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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