BDBM48022 2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid::2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylbenzoic acid::2-[[2-(4-methylphenyl)-2-oxoethyl]thio]benzoic acid::2-[[2-keto-2-(p-tolyl)ethyl]thio]benzoic acid::MLS001167412::SMR000640721::cid_2858262

SMILES Cc1ccc(cc1)C(=O)CSc1ccccc1C(O)=O

InChI Key InChIKey=DEEGCOZZZOJFEJ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 48022   

TargetHeat shock protein HSP 90-alpha(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM48022(cid_2858262 | MLS001167412 | 2-[2-(4-methylphenyl)...)
Affinity DataIC50: 1.08E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2011
Entry Details
PCBioAssay