Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50328800'   

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))	BDBM50328800 ((2-(2-methoxyphenyl)-7-methyl-5-(2,4,6-trichloroph...) Show SMILES COc1ccccc1-c1cn2c(c(CN)c(C)nc2n1)-c1c(Cl)cc(Cl)cc1Cl |(24.28,-40,;25.05,-41.33,;24.28,-42.66,;22.74,-42.66,;21.96,-44,;22.74,-45.33,;24.28,-45.33,;25.04,-44,;26.58,-44,;27.48,-45.25,;28.94,-44.77,;30.28,-45.54,;31.62,-44.77,;32.95,-45.54,;34.28,-44.77,;31.61,-43.22,;32.94,-42.45,;30.28,-42.46,;28.95,-43.23,;27.48,-42.76,;30.28,-47.08,;28.94,-47.85,;27.61,-47.08,;28.94,-49.39,;30.28,-50.16,;30.28,-51.7,;31.62,-49.38,;31.61,-47.84,;32.94,-47.07,)| Show InChI InChI=1S/C21H17Cl3N4O/c1-11-14(9-25)20(19-15(23)7-12(22)8-16(19)24)28-10-17(27-21(28)26-11)13-5-3-4-6-18(13)29-2/h3-8,10H,9,25H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human DPP4 after 15 mins by para-nitroaniline release assay				Bioorg Med Chem Lett 20: 6273-6 (2010) Article DOI: 10.1016/j.bmcl.2010.08.090 BindingDB Entry DOI: 10.7270/Q2J67H5R
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