BDBM96200 7-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid ethyl ester::7-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-5H-[1,3]dioxol[4,5-f]indole-6-carboxylic acid ethyl ester::MLS000036721::SMR000042322::cid_661761::ethyl 7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate::ethyl 7-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate

SMILES CCOC(=O)c1[nH]c2cc3OCOc3cc2c1NC(=O)CN1CCc2ccccc2C1

InChI Key InChIKey=LYURDMGWTPAOKT-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 96200   

TargetFructose-bisphosphate aldolase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM96200(MLS000036721 | SMR000042322 | 7-[[2-(3,4-dihydro-1...)
Affinity DataIC50: 485nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay