Reaction Details Report a problem with these data
Target
Heat shock factor protein 1
Ligand
BDBM63367
Substrate
n/a
Meas. Tech.
Luminescence Cell-Based Dose Confimation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1)
EC50
>195000±0 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:
BDBM63367
Synonyms:
4-[3-[1-[(1S)-1-tert-butoxycarbonyl-3-methyl-butyl]triazol-4-yl]-5-[1-[(1S)-2-keto-2-methoxy-1-methylol-ethyl]triazol-4-yl]benzoyl]piperazine-1-carboxylic acid tert-butyl ester | 4-[[3-[1-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]-4-triazolyl]-5-[1-[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-4-triazolyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester | LU-MONO-LS | MLS000560591 | SMR000327511 | cid_16066559 | tert-butyl 4-[3-[1-[(2S)-1-methoxy-3-oxidanyl-1-oxidanylidene-propan-2-yl]-1,2,3-triazol-4-yl]-5-[1-[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-pentan-2-yl]-1,2,3-triazol-4-yl]phenyl]carbonylpiperazine-1-carboxylate | tert-butyl 4-[3-[1-[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]triazol-4-yl]-5-[1-[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]triazol-4-yl]benzoyl]piperazine-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C34H48N8O8
Mol. Mass.:
696.7937
SMILES:
COC(=O)[C@H](CO)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](CC(C)C)C(=O)OC(C)(C)C)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Structure:
Search PDB for entries with ligand similarity: