Reaction Details Report a problem with these data
Target
Heat shock factor protein 1
Ligand
BDBM610162
Substrate
n/a
Meas. Tech.
Titre Blue 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
More Info.:
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:
BDBM610162
Synonyms:
(S)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)-2-(2-(3-fluoropyrrolidin-1-yl)ethoxy)quinoline-6-carboxamide | US9701664, Example 65
Type:
Small organic molecule
Emp. Form.:
C32H31FN4O5
Mol. Mass.:
570.6107
SMILES:
Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CC[C@H](F)C3)ccc2c1