Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 9' and Ligand = 'BDBM50442206'   

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 9 (Homo sapiens (Human))	BDBM50442206 (CHEMBL2441831) Show SMILES Cc1[nH]c2cn(-c3ccn(C)n3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(11.24,-14.08,;9.91,-14.86,;8.57,-14.09,;7.25,-14.86,;5.77,-14.39,;4.87,-15.65,;3.33,-15.65,;2.41,-14.41,;.95,-14.9,;.96,-16.44,;-.29,-17.35,;2.42,-16.91,;5.78,-16.89,;5.31,-18.36,;7.25,-16.41,;8.58,-17.18,;9.91,-16.41,;11.25,-17.17,;12.58,-16.4,;8.58,-18.72,;7.24,-19.48,;7.24,-21.02,;8.57,-21.79,;8.57,-23.33,;9.91,-21.02,;9.91,-19.48,;11.24,-18.71,)| Show InChI InChI=1S/C19H17Cl2N5O/c1-10-13(8-22)17(12-4-3-11(20)7-14(12)21)18-15(23-10)9-26(19(18)27)16-5-6-25(2)24-16/h3-7,9,23H,8,22H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of DPP9 (unknown origin)				J Med Chem 56: 7343-57 (2013) Article DOI: 10.1021/jm4008906 BindingDB Entry DOI: 10.7270/Q2N01806
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