Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50431784'   

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))	BDBM50431784 (CHEMBL2347037) Show SMILES CC#CCn1c(nc2ccn(Cc3cnc4ccccc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C24H25N7O/c1-2-3-12-31-23(32)22-21(28-24(31)30-11-6-7-17(25)15-30)10-13-29(22)16-18-14-26-19-8-4-5-9-20(19)27-18/h4-5,8-10,13-14,17H,6-7,11-12,15-16,25H2,1H3/t17-/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	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Science Curated by ChEMBL					Assay Description Inhibition of human DPP4 using Gly-Pro-AMC as substrate treated with enzyme 10 mins prior to substrate addition measured after 10 mins				Bioorg Med Chem 21: 1749-55 (2013) Article DOI: 10.1016/j.bmc.2013.01.062 BindingDB Entry DOI: 10.7270/Q2R78GMR
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