BDBM96100 2-[2-(2-Chloro-acetyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl]-5-methyl-cyclohexane-1,3-dione::2-[2-(2-chloranylethanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5-methyl-cyclohexane-1,3-dione::2-[2-(2-chloro-1-oxoethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5-methylcyclohexane-1,3-dione::2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5-methyl-cyclohexane-1,3-quinone::2-[2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-5-methylcyclohexane-1,3-dione::MLS000332553::SMR000221742::cid_5238865

SMILES COc1cc2CCN(C(C3C(=O)CC(C)CC3=O)c2cc1OC)C(=O)CCl

InChI Key InChIKey=FIUXBGOBUVXMRB-UHFFFAOYSA-N

Data  1 IC50

  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 = 96100   

TargetFructose-bisphosphate aldolase(Mycobacterium tuberculosis (strain H37Rv))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96100(2-[2-(2-Chloro-acetyl)-6,7-dimethoxy-1,2,3,4-tetra...)
Affinity DataIC50: >9.99E+3nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay