Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50248695'   

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))	BDBM50248695 (3-({2-[(2S)-2-Cyano-4,4-difluoropyrrolidin-1-yl]-2...) Show SMILES CC(C)(CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1)NCC(=O)N1CC(F)(F)C[C@H]1C#N |r| Show InChI InChI=1S/C21H25ClF2N4O2/c1-20(2,26-11-19(30)28-12-21(23,24)8-15(28)10-25)9-18(29)27-17-7-16(17)13-4-3-5-14(22)6-13/h3-6,15-17,26H,7-9,11-12H2,1-2H3,(H,27,29)/t15-,16+,17-/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	26	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem 17: 2388-99 (2009) Article DOI: 10.1016/j.bmc.2009.02.020 BindingDB Entry DOI: 10.7270/Q2416WZS
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