BDBM50153407 CHEMBL186596::Trifluoro-acetate3-((S)-2-benzylcarbamoyl-pyrrolidin-1-yl)-1-(2-fluoro-benzyl)-3-oxo-propyl-ammonium;

SMILES: [NH3+]C(CC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)Cc1ccccc1F

InChI Key: InChIKey=CGKHIDJCCSTBNU-IJHRGXPZSA-O

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 = 50153407   

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))	BDBM50153407 (CHEMBL186596 | Trifluoro-acetate3-((S)-2-benzylcar...) Show SMILES [NH3+]C(CC(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)Cc1ccccc1F Show InChI InChI=1S/C22H26FN3O2/c23-19-10-5-4-9-17(19)13-18(24)14-21(27)26-12-6-11-20(26)22(28)25-15-16-7-2-1-3-8-16/h1-5,7-10,18,20H,6,11-15,24H2,(H,25,28)/p+1/t18?,20-/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	539	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant Dipeptidylpeptidase IV				Bioorg Med Chem Lett 14: 5151-5 (2004) Article DOI: 10.1016/j.bmcl.2004.07.056 BindingDB Entry DOI: 10.7270/Q2QR4WM2
					More data for this Ligand-Target Pair