Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50336802'   

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))	BDBM50336802 (3-[3-(Aminomethyl)-4-(4-methylphenyl)-2-(2-methylp...) Show SMILES CC(C)Cc1nc2ccc(CCC(O)=O)cc2c(-c2ccc(C)cc2)c1CN Show InChI InChI=1S/C24H28N2O2/c1-15(2)12-22-20(14-25)24(18-8-4-16(3)5-9-18)19-13-17(7-11-23(27)28)6-10-21(19)26-22/h4-6,8-10,13,15H,7,11-12,14,25H2,1-3H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DPP4 in human Caco2 cells after 60 mins				J Med Chem 54: 831-50 (2012) Article DOI: 10.1021/jm101236h BindingDB Entry DOI: 10.7270/Q2QR4Z4M
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