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Target
Heat shock factor protein 1
Ligand
BDBM99471
Substrate
n/a
Meas. Tech.
ChEMBL_1652055 (CHEMBL4001310)
IC50
<10000±n/a nM
Citation
 Cheeseman, MD; Chessum, NE; Rye, CS; Pasqua, AE; Tucker, MJ; Wilding, B; Evans, LE; Lepri, S; Richards, M; Sharp, SY; Ali, S; Rowlands, M; O'Fee, L; Miah, A; Hayes, A; Henley, AT; Powers, M; Te Poele, R; De Billy, E; Pellegrino, L; Raynaud, F; Burke, R; van Montfort, RL; Eccles, SA; Workman, P; Jones, K Discovery of a Chemical Probe Bisamide (CCT251236): An Orally Bioavailable Efficacious Pirin Ligand from a Heat Shock Transcription Factor 1 (HSF1) Phenotypic Screen. J Med Chem 60:180-201 (2017) [PubMed]  Article 
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:
BDBM99471
Synonyms:
US8497274, 32
Type:
Small organic molecule
Emp. Form.:
C27H18F4N4O3S
Mol. Mass.:
554.515
SMILES:
Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Cc1cccc(c1)C(F)(F)F
Structure:
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