BDBM50209930 (2R,3S,11bS)-9,10-dimethoxy-3-(3-methoxyphenyl)-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-amine::CHEMBL234430

SMILES: COc1cccc(c1)[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1N

InChI Key: InChIKey=ZQWRLMAEBNBJTD-AQNXPRMDSA-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 = 50209930   

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))	BDBM50209930 ((2R,3S,11bS)-9,10-dimethoxy-3-(3-methoxyphenyl)-2,...) Show SMILES COc1cccc(c1)[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1N Show InChI InChI=1S/C22H28N2O3/c1-25-16-6-4-5-14(9-16)18-13-24-8-7-15-10-21(26-2)22(27-3)11-17(15)20(24)12-19(18)23/h4-6,9-11,18-20H,7-8,12-13,23H2,1-3H3/t18-,19-,20+/m1/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	650	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 17: 2966-70 (2007) Article DOI: 10.1016/j.bmcl.2007.03.072 BindingDB Entry DOI: 10.7270/Q23T9GWP
					More data for this Ligand-Target Pair