BDBM97101 MLS000687380::SMR000285102::[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone;oxalic acid::[4-[4-(methylthio)benzyl]piperazino]-(4-nitrophenyl)methanone;oxalic acid::[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]-(4-nitrophenyl)methanone;oxalic acid::cid_16192829::ethanedioic acid;[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone

SMILES COc1cc(N2CCC3(CC2)CC(CN2CCC4(CC2)COc2c4ccc4c2CN(C2CCC(=O)NC2=O)C4=O)C3)c(F)cc1[C@H]1c2ccc(O)cc2OC[C@H]1c1ccccc1

InChI Key InChIKey=RBIMEIXDDYSEGP-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 2 hits for monomerid = 97101   

TargetSteroid hormone receptor ERR1 LBD(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 97101BDBM97101(3-(1'-((7-(2-fluoro-4-((3R,4R)-7-hydroxy- 3-phenyl...)
Affinity DataIC50: 5nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/13/2026
Entry Details
US Patent

TargetDNA damage-binding protein 1/Protein cereblon(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 97101BDBM97101(3-(1'-((7-(2-fluoro-4-((3R,4R)-7-hydroxy- 3-phenyl...)
Affinity DataIC50: 275nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/13/2026
Entry Details
US Patent