Reaction Details Report a problem with these data
Target
Heat shock factor protein 1
Ligand
BDBM610140
Substrate
n/a
Meas. Tech.
Cell-Based ELISA (Cellisa) Assay
IC50
7.00±n/a nM
Citation
 Jones, K; Rye, C; Chessum, N; Cheeseman, M; Pasqua, AE; Pike, KG; Faulder, PF Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 US Patent  US9701664 Publication Date 7/11/2017 
Target
Name:
Heat shock factor protein 1
Synonyms:
HSF1 | HSF1_HUMAN | HSTF1
Type:
PROTEIN
Mol. Mass.:
57244.20
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1512556
Residue:
529
Sequence:
MDLPVGPGAAGPSNVPAFLTKLWTLVSDPDTDALICWSPSGNSFHVFDQGQFAKEVLPKYFKHNNMASFVRQLNMYGFRKVVHIEQGGLVKPERDDTEFQHPCFLRGQEQLLENIKRKVTSVSTLKSEDIKIRQDSVTKLLTDVQLMKGKQECMDSKLLAMKHENEALWREVASLRQKHAQQQKVVNKLIQFLISLVQSNRILGVKRKIPLMLNDSGSAHSMPKYSRQFSLEHVHGSGPYSAPSPAYSSSSLYAPDAVASSGPIISDITELAPASPMASPGGSIDERPLSSSPLVRVKEEPPSPPQSPRVEEASPGRPSSVDTLLSPTALIDSILRESEPAPASVTALTDARGHTDTEGRPPSPPPTSTPEKCLSVACLDKNELSDHLDAMDSNLDNLQTMLSSHGFSVDTSALLDLFSPSVTVPDMSLPDLDSSLASIQELLSPQEPPRPPEAENSSPDSGKQLVHYTAQPLFLLDPGSVDTGSNDLPVLFELGEGSYFSEGDGFAEDPTISLLTGSEPPKAKDPTVS
  
Inhibitor
Name:
BDBM610140
Synonyms:
(S)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)-2-((1-methylpyrrolidin-2-yl)methoxy)quinoline-6-carboxamide | US9701664, Example 53
Type:
Small organic molecule
Emp. Form.:
C32H32N4O5
Mol. Mass.:
552.6203
SMILES:
CN1CCC[C@H]1COc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Structure:
Search PDB for entries with ligand similarity: