Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50226070'   

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))	BDBM50226070 (CHEMBL249825 | [(3R,4R)-4-amino-1-(isoquinoline-3-...) Show SMILES N[C@H]1CN(C[C@H]1C(=O)N1CCCC1)C(=O)c1cc2ccccc2cn1 Show InChI InChI=1S/C19H22N4O2/c20-16-12-23(11-15(16)18(24)22-7-3-4-8-22)19(25)17-9-13-5-1-2-6-14(13)10-21-17/h1-2,5-6,9-10,15-16H,3-4,7-8,11-12,20H2/t15-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 17: 6707-13 (2007) Article DOI: 10.1016/j.bmcl.2007.10.063 BindingDB Entry DOI: 10.7270/Q2ZS2W8B
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