Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 9' and Ligand = 'BDBM50324499'   

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))	BDBM50324499 (6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(isoxazol...) Show SMILES Cc1nc2nc(cn2c(c1CN)-c1ccc(Cl)cc1Cl)C(=O)Nc1ccon1 |(8.64,-1.31,;7.33,-2.13,;5.97,-1.41,;4.67,-2.22,;3.2,-1.79,;2.33,-3.06,;3.27,-4.28,;4.72,-3.76,;6.07,-4.49,;7.38,-3.68,;8.74,-4.4,;10.04,-3.59,;6.04,-6.02,;4.69,-6.76,;4.66,-8.3,;5.98,-9.1,;6.01,-10.69,;7.33,-8.34,;7.36,-6.81,;8.7,-6.06,;.79,-3.1,;-.02,-1.8,;.06,-4.46,;-1.48,-4.51,;-2.34,-5.78,;-3.82,-5.34,;-3.86,-3.8,;-2.42,-3.29,)| Show InChI InChI=1S/C18H14Cl2N6O2/c1-9-12(7-21)16(11-3-2-10(19)6-13(11)20)26-8-14(23-18(26)22-9)17(27)24-15-4-5-28-25-15/h2-6,8H,7,21H2,1H3,(H,24,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.5	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 human DPP9				J Med Chem 53: 5620-8 (2010) Article DOI: 10.1021/jm100634a BindingDB Entry DOI: 10.7270/Q2S182PX
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