BDBM50203126 3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinolin-5-ylium::9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium::9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium chloride::9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium; chloride::BERBERINE::Berberinechloride::CHEMBL12089::berberine dimer::cid_12456

SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC

InChI Key InChIKey=YBHILYKTIRIUTE-UHFFFAOYSA-N

Data  6 KI  66 IC50  3 Kd  2 EC50

PDB links: 18 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50203126   

TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50203126(3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...)
Affinity DataIC50:  4.08E+3nMAssay Description:Inhibition of N-terminal His-tagged human AKR1C3 (1 to 323 residues) expressed in Escherichia coli using 4-adione as substrate in presence of NADPH b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed