BDBM96145 (+)-trans-ethyl-khellactone::(9S,10R)-10-ethoxy-8,8-dimethyl-9-oxidanyl-9,10-dihydropyrano[2,3-f]chromen-2-one::(9S,10R)-10-ethoxy-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f][1]benzopyran-2-one::(9S,10R)-10-ethoxy-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one::MLS002472917::SMR001397028::cid_44144312

SMILES CCO[C@H]1[C@H](O)C(C)(C)Oc2ccc3ccc(=O)oc3c12

InChI Key InChIKey=UCLKQWHJVUDTFJ-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 = 96145   

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

Curated by PubChem BioAssay
LigandPNGBDBM96145(SMR001397028 | (9S,10R)-10-ethoxy-9-hydroxy-8,8-di...)
Affinity DataIC50: 1.11E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2013
Entry Details
PCBioAssay