Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50431791'   

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))	BDBM50431791 (CHEMBL2346926) Show SMILES CC#CCn1c(nc2ccn(Cc3ccc4ccccc4n3)c2c1=O)N1CCC[C@@H](N)C1 |r| Show InChI InChI=1S/C25H26N6O/c1-2-3-14-31-24(32)23-22(28-25(31)30-13-6-8-19(26)16-30)12-15-29(23)17-20-11-10-18-7-4-5-9-21(18)27-20/h4-5,7,9-12,15,19H,6,8,13-14,16-17,26H2,1H3/t19-/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	7.10	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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