Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50276700'   

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))	BDBM50276700 (3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methox...) Show SMILES COc1ccccc1N1CCc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)c2C1=O |(9.93,-9,;11.27,-8.23,;11.27,-6.69,;9.94,-5.92,;9.95,-4.37,;11.29,-3.61,;12.61,-4.39,;12.6,-5.93,;13.93,-6.71,;13.92,-8.24,;15.25,-9.02,;16.58,-8.26,;17.91,-9.03,;19.25,-8.26,;20.59,-9.02,;19.25,-6.7,;20.58,-5.93,;21.92,-6.69,;17.91,-5.94,;17.9,-4.4,;16.57,-3.64,;16.56,-2.1,;17.89,-1.32,;17.89,.22,;19.23,-2.09,;19.23,-3.63,;20.57,-4.4,;16.58,-6.72,;15.26,-5.95,;15.27,-4.41,)| Show InChI InChI=1S/C23H21Cl2N3O2/c1-13-16(12-26)21(15-8-7-14(24)11-17(15)25)22-18(27-13)9-10-28(23(22)29)19-5-3-4-6-20(19)30-2/h3-8,11H,9-10,12,26H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.28	n/a	n/a	n/a	n/a	n/a	n/a
Matrix Laboratories Limited Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem 17: 1783-802 (2009) Article DOI: 10.1016/j.bmc.2009.01.061 BindingDB Entry DOI: 10.7270/Q2VD70DJ
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