Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50201590'   

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))	BDBM50201590 ((S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)...) Show SMILES CC(C)(CC(=O)NCCc1ccc(cc1)C(F)(F)F)NCC(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C21H27F3N4O2/c1-20(2,27-14-19(30)28-11-3-4-17(28)13-25)12-18(29)26-10-9-15-5-7-16(8-6-15)21(22,23)24/h5-8,17,27H,3-4,9-12,14H2,1-2H3,(H,26,29)/t17-/m0/s1	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	236	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description In vitro inhibition of DPP-4				Bioorg Med Chem Lett 17: 1274-9 (2007) Article DOI: 10.1016/j.bmcl.2006.12.019 BindingDB Entry DOI: 10.7270/Q23T9GV7
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