Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 9' and Ligand = 'BDBM50442190'   

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))	BDBM50442190 (CHEMBL2441847) Show SMILES CCN(CC)C(=O)CCn1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2c1=O |(29.61,-4.69,;30.38,-3.36,;31.92,-3.35,;32.69,-4.68,;34.23,-4.67,;32.68,-2.01,;31.9,-.68,;34.22,-2,;35,-3.33,;36.54,-3.33,;37.44,-2.07,;38.92,-2.54,;40.25,-1.77,;41.58,-2.54,;42.91,-1.76,;41.59,-4.09,;42.92,-4.85,;44.25,-4.08,;40.25,-4.86,;40.25,-6.4,;38.91,-7.16,;38.91,-8.7,;40.24,-9.47,;40.24,-11.01,;41.58,-8.7,;41.58,-7.16,;42.91,-6.39,;38.92,-4.09,;37.45,-4.57,;36.99,-6.04,)| Show InChI InChI=1S/C22H26Cl2N4O2/c1-4-27(5-2)19(29)8-9-28-12-18-21(22(28)30)20(16(11-25)13(3)26-18)15-7-6-14(23)10-17(15)24/h6-7,10,12,26H,4-5,8-9,11,25H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	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
					More data for this Ligand-Target Pair