Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50222470'   

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))	BDBM50222470 ((3R)-3-amino-1-(4-benzyl-1-methyl-2-(trifluorometh...) Show SMILES Cn1c2CCN(C(Cc3ccccc3)c2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.6| Show InChI InChI=1S/C25H24F6N4O/c1-34-20-7-8-35(22(36)12-16(32)10-15-11-18(27)19(28)13-17(15)26)21(9-14-5-3-2-4-6-14)23(20)33-24(34)25(29,30)31/h2-6,11,13,16,21H,7-10,12,32H2,1H3/t16-,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 17: 5853-7 (2007) Article DOI: 10.1016/j.bmcl.2007.08.030 BindingDB Entry DOI: 10.7270/Q2T72J8F
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50222470 ((3R)-3-amino-1-(4-benzyl-1-methyl-2-(trifluorometh...) Show SMILES Cn1c2CCN(C(Cc3ccccc3)c2nc1C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F |w:6.6| Show InChI InChI=1S/C25H24F6N4O/c1-34-20-7-8-35(22(36)12-16(32)10-15-11-18(27)19(28)13-17(15)26)21(9-14-5-3-2-4-6-14)23(20)33-24(34)25(29,30)31/h2-6,11,13,16,21H,7-10,12,32H2,1H3/t16-,21?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 17: 5853-7 (2007) Article DOI: 10.1016/j.bmcl.2007.08.030 BindingDB Entry DOI: 10.7270/Q2T72J8F
					More data for this Ligand-Target Pair