BDBM50349375 CHEMBL1808463

SMILES: CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccc(F)cc2)c1CN

InChI Key: InChIKey=JNCVZAAHUDOUOH-UHFFFAOYSA-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 = 50349375   

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))	BDBM50349375 (CHEMBL1808463) Show SMILES CC(C)Cc1nc2ccc(OCC(N)=O)cc2c(-c2ccc(F)cc2)c1CN Show InChI InChI=1S/C22H24FN3O2/c1-13(2)9-20-18(11-24)22(14-3-5-15(23)6-4-14)17-10-16(28-12-21(25)27)7-8-19(17)26-20/h3-8,10,13H,9,11-12,24H2,1-2H3,(H2,25,27)	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
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl peptidase-4 expressed in Caco-2 cells using Gly-Pro-pNA.Tos as substrate after 60 mins by microplate reader analysis				Bioorg Med Chem 19: 4482-98 (2011) Article DOI: 10.1016/j.bmc.2011.06.032 BindingDB Entry DOI: 10.7270/Q2P26ZGN
					More data for this Ligand-Target Pair