Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM11078'   

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))	BDBM11078 ((2S)-1-{[(2S,5R)-5-(4-bromophenoxymethyl)pyrrolidi...) Show SMILES Brc1ccc(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)cc1 |r| Show InChI InChI=1S/C17H20BrN3O2/c18-12-3-6-15(7-4-12)23-11-13-5-8-16(20-13)17(22)21-9-1-2-14(21)10-19/h3-4,6-7,13-14,16,20H,1-2,5,8-9,11H2/t13-,14+,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and mea...				J Med Chem 49: 3520-35 (2006) Article DOI: 10.1021/jm051283e BindingDB Entry DOI: 10.7270/Q2WS8RG1
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