Reaction Details Report a problem with these data
Target
Heat shock factor protein 1
Ligand
BDBM47938
Substrate
n/a
Meas. Tech.
Luminescence Cell-Based Dose Confimation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1)
EC50
2741±1044 nM
Citation
 PubChem, PC Luminescence Cell-Based Dose Confimation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1) PubChem Bioassay (2010)[AID] 
Target
Name:
Heat shock factor protein 1
Synonyms:
HSF1_MOUSE | Hsf1 | Hsf1 protein
Type:
Enzyme Catalytic Domain
Mol. Mass.:
57208.68
Organism:
Mus musculus
Description:
P38532
Residue:
525
Sequence:
MDLAVGPGAAGPSNVPAFLTKLWTLVSDPDTDALICWSPSGNSFHVFDQGQFAKEVLPKYFKHNNMASFVRQLNMYGFRKVVHIEQGGLVKPERDDTEFQHPCFLRGQEQLLENIKRKVTSVSTLKSEDIKIRQDSVTRLLTDVQLMKGKQECMDSKLLAMKHENEALWREVASLRQKHAQQQKVVNKLIQFLISLVQSNRILGVKRKIPLMLSDSNSAHSVPKYGRQYSLEHVHGPGPYSAPSPAYSSSSLYSSDAVTSSGPIISDITELAPTSPLASPGRSIDERPLSSSTLVRVKQEPPSPPHSPRVLEASPGRPSSMDTPLSPTAFIDSILRESEPTPAASNTAPMDTTGAQAPALPTPSTPEKCLSVACLDKNELSDHLDAMDSNLDNLQTMLTSHGFSVDTSALLDLFSPSVTMPDMSLPDLDSSLASIQELLSPQEPPRPIEAENSNPDSGKQLVHYTAQPLFLLDPDAVDTGSSELPVLFELGESSYFSEGDDYTDDPTISLLTGTEPHKAKDPTVS
  
Inhibitor
Name:
BDBM47938
Synonyms:
(4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-methoxy-ethyl)spiro[fluorene-9,3'-pyrazolidine]-4'-carboxylic acid methyl ester | (4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-methoxy-2-oxoethyl)-4'-spiro[fluorene-9,3'-pyrazolidine]carboxylic acid methyl ester | MLS000550560 | SMR000113937 | cid_6552076 | methyl (4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-methoxy-2-oxidanylidene-ethyl)spiro[fluorene-9,3'-pyrazolidine]-4'-carboxylate | methyl (4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-methoxy-2-oxoethyl)spiro[fluorene-9,3'-pyrazolidine]-4'-carboxylate | methyl 1-(4-chlorophenyl)-2-cyano-4-(2-methoxy-2-oxoethyl)spiro[pyrazolidine-5,9'-(9'H)-fluorene]-4-carboxylate
Type:
Small organic molecule
Emp. Form.:
C27H22ClN3O4
Mol. Mass.:
487.934
SMILES:
COC(=O)C[C@@]1(CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12)C(=O)OC
Structure:
Search PDB for entries with ligand similarity: