BDBM114313 (4Z)-4-[(4-butoxy-2-methyl-phenyl)-hydroxy-methylene]-5-(4-pyridyl)-1-(3-pyridylmethyl)pyrrolidine-2,3-quinone::(4Z)-4-[(4-butoxy-2-methyl-phenyl)-oxidanyl-methylidene]-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione::(4Z)-4-[(4-butoxy-2-methylphenyl)-hydroxymethylidene]-5-pyridin-4-yl-1-(3-pyridinylmethyl)pyrrolidine-2,3-dione::(4Z)-4-[(4-butoxy-2-methylphenyl)-hydroxymethylidene]-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione::4-(4-Butoxy-2-methyl-benzoyl)-3-hydroxy-5-pyridin-4-yl-1-pyridin-3-ylmethyl-1,5-dihydro-pyrrol-2-one::MLS000556301::SMR000147618::cid_9550006

SMILES CC(C)c1cn(Cc2ccc(S(C)(=N)=O)cc2)c2cc(C3CC3)nn2c1=O

InChI Key InChIKey=QRHNZWXQDCLALU-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 4 hits for monomerid = 114313   

LigandChemical structure of BindingDB Monomer ID 114313BDBM114313(US20260001886, Compound 3 rac)
Affinity DataKd:  0.631nMAssay 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

LigandChemical structure of BindingDB Monomer ID 114313BDBM114313(US20260001886, Compound 3 rac)
Affinity DataEC50:  1nMAssay 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

TargetCarbonic anhydrase 1(Human)
RE Ventures I

US Patent
LigandChemical structure of BindingDB Monomer ID 114313BDBM114313(US20260001886, Compound 3 rac)
Affinity DataKd:  1.00E+6nMAssay 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

TargetCarbonic anhydrase 2(Human)
RE Ventures I

US Patent
LigandChemical structure of BindingDB Monomer ID 114313BDBM114313(US20260001886, Compound 3 rac)
Affinity DataKd: >1.00E+8nMAssay 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