BDBM50333182 CHEMBL1644855::Methyl N-{[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridin-3-yl]acetyl}glycinate dihydrochloride

SMILES: COC(=O)CNC(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1

InChI Key: InChIKey=CCMQYJVKWXJEKC-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 = 50333182   

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))	BDBM50333182 (CHEMBL1644855 | Methyl N-{[5-(aminomethyl)-2-methy...) Show SMILES COC(=O)CNC(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1 Show InChI InChI=1S/C23H31N3O3/c1-14(2)10-20-19(12-24)23(17-8-6-15(3)7-9-17)18(16(4)26-20)11-21(27)25-13-22(28)29-5/h6-9,14H,10-13,24H2,1-5H3,(H,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	17	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of DDP4 in human Caco2 cells after 60 mins by spectrophotometry				Bioorg Med Chem 19: 172-85 (2011) Article DOI: 10.1016/j.bmc.2010.11.038 BindingDB Entry DOI: 10.7270/Q2TB174K
					More data for this Ligand-Target Pair