Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 8' and Ligand = 'BDBM50221966'   

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 8 (Homo sapiens (Human))	BDBM50221966 ((2S,3S)-2-amino-1-((S)-3-fluoro-3-methylpyrrolidin...) Show SMILES C[C@H]([C@H](N)C(=O)N1CC[C@](C)(F)C1)C1CCC(CC1)c1ccc(F)cc1 |wU:9.9,2.2,wD:1.0,9.10,(-.16,4.94,;-.16,3.4,;1.18,2.63,;1.18,1.09,;2.51,3.4,;2.51,4.94,;3.86,2.63,;5.25,3.25,;6.28,2.1,;5.51,.77,;7.01,.45,;4.72,-.56,;4,1.09,;-1.5,2.63,;-1.5,1.08,;-2.82,.32,;-4.16,1.08,;-4.16,2.63,;-2.83,3.4,;-5.49,.31,;-6.82,1.08,;-8.15,.31,;-8.15,-1.23,;-9.48,-2.01,;-6.81,-2,;-5.48,-1.23,)| Show InChI InChI=1S/C21H30F2N2O/c1-14(19(24)20(26)25-12-11-21(2,23)13-25)15-3-5-16(6-4-15)17-7-9-18(22)10-8-17/h7-10,14-16,19H,3-6,11-13,24H2,1-2H3/t14-,15?,16?,19-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human DPP8				Bioorg Med Chem Lett 17: 5806-11 (2007) Article DOI: 10.1016/j.bmcl.2007.08.049 BindingDB Entry DOI: 10.7270/Q2251HXN
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