BDBM15562 (2S)-2-[4-({[(2S)-1-[(3R)-3-amino-4-(5-fluoro-2-methylphenyl)butanoyl]pyrrolidin-2-yl]formamido}methyl)phenoxy]-3-methylbutanoic acid::DPP-4 ligand 4

SMILES: CC(C)[C@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(F)ccc2C)cc1)C(O)=O

InChI Key: InChIKey=KQCGWLCCELPMEF-CWDLOFLHSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 15562   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15562 ((2S)-2-[4-({[(2S)-1-[(3R)-3-amino-4-(5-fluoro-2-me...) Show SMILES CC(C)[C@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(F)ccc2C)cc1)C(O)=O |r| Show InChI InChI=1S/C28H36FN3O5/c1-17(2)26(28(35)36)37-23-10-7-19(8-11-23)16-31-27(34)24-5-4-12-32(24)25(33)15-22(30)14-20-13-21(29)9-6-18(20)3/h6-11,13,17,22,24,26H,4-5,12,14-16,30H2,1-3H3,(H,31,34)(H,35,36)/t22-,24+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	7.5	37
Merck Research Laboratories					Assay Description The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...				Bioorg Med Chem Lett 17: 2404-7 (2007) Article DOI: 10.1016/j.bmcl.2007.02.040 BindingDB Entry DOI: 10.7270/Q2M906WF
					More data for this Ligand-Target Pair