BDBM50253966 CHEMBL4083433

SMILES: CCCCc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN

InChI Key: InChIKey=CZDSYRQPDXITSP-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 = 50253966   

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))	BDBM50253966 (CHEMBL4083433) Show SMILES CCCCc1nc2ccc(OCC(N)=O)cc2c(-c2ccccc2)c1CN Show InChI InChI=1S/C22H25N3O2/c1-2-3-9-19-18(13-23)22(15-7-5-4-6-8-15)17-12-16(27-14-21(24)26)10-11-20(17)25-19/h4-8,10-12H,2-3,9,13-14,23H2,1H3,(H2,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human DPP4 purified from Caco2 cells pre-incubated for 15 mins before Gly-Pro-pNA substrate addition and measured after 60 mins				Bioorg Med Chem Lett 27: 3565-3571 (2017) Article DOI: 10.1016/j.bmcl.2017.05.048 BindingDB Entry DOI: 10.7270/Q2PK0JKX
					More data for this Ligand-Target Pair