BDBM50333173 CHEMBL1644846::Methyl 1-{[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridin-3-yl]acetyl}pyrrolidine-3-carboxylate dihydrochloride

SMILES: COC(=O)C1CCN(C1)C(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1

InChI Key: InChIKey=HGWRKAAYAKQXGO-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 = 50333173   

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))	BDBM50333173 (CHEMBL1644846 | Methyl 1-{[5-(aminomethyl)-2-methy...) Show SMILES COC(=O)C1CCN(C1)C(=O)Cc1c(C)nc(CC(C)C)c(CN)c1-c1ccc(C)cc1 Show InChI InChI=1S/C26H35N3O3/c1-16(2)12-23-22(14-27)25(19-8-6-17(3)7-9-19)21(18(4)28-23)13-24(30)29-11-10-20(15-29)26(31)32-5/h6-9,16,20H,10-15,27H2,1-5H3	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	11	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