Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50320297'   

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))	BDBM50320297 ((2S,3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-y...) Show SMILES CN(C)C(=O)O[C@@H]1C[C@@H]2C[C@@H](C[C@@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H28N4O3/c1-21(2)18(24)25-16-8-12-6-14(7-13(12)9-16)20-11-17(23)22-5-3-4-15(22)10-19/h12-16,20H,3-9,11H2,1-2H3/t12-,13+,14-,15-,16+/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	65	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 by chemical luminescent assay				Bioorg Med Chem Lett 20: 3521-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.138 BindingDB Entry DOI: 10.7270/Q2JH3MBT
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