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Target
Heat shock protein HSP 90-alpha
Ligand
BDBM50347504
Substrate
n/a
Meas. Tech.
ChEMBL_754453 (CHEMBL1806078)
IC50
40±n/a nM
Citation
 Bruncko, M; Tahir, SK; Song, X; Chen, J; Ding, H; Huth, JR; Jin, S; Judge, RA; Madar, DJ; Park, CH; Park, CM; Petros, AM; Tse, C; Rosenberg, SH; Elmore, SW N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors. Bioorg Med Chem Lett 20:7503-6 (2010) [PubMed]  Article 
Target
Name:
Heat shock protein HSP 90-alpha
Synonyms:
HS90A_HUMAN | HSP 86 | HSP86 | HSP90A | HSP90AA1 | HSPC1 | HSPCA | Heat Shock Protein 90 (Hsp90) | Heat shock 86 kDa | Heat shock protein HSP 90 (HSP90) | Heat shock protein HSP 90-alpha (HSP90) | Heat shock protein HSP 90-alpha (HSP90A) | LAP-2 | LPS-associated protein 2 | Lipopolysaccharide-associated protein 2 | Renal carcinoma antigen NY-REN-38 | heat shock protein 90kDa alpha (cytosolic), class A member 1 isoform 2
Type:
Molecular Chaperone
Mol. Mass.:
84623.45
Organism:
Homo sapiens (Human)
Description:
P07900
Residue:
732
Sequence:
MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAEEKEDKEEEKEKEEKESEDKPEIEDVGSDEEEEKKDGDKKKKKKIKEKYIDQEELNKTKPIWTRNPDDITNEEYGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFVPRRAPFDLFENRKKKNNIKLYVRRVFIMDNCEELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNLVKKCLELFTELAEDKENYKKFYEQFSKNIKLGIHEDSQNRKKLSELLRYYTSASGDEMVSLKDYCTRMKENQKHIYYITGETKDQVANSAFVERLRKHGLEVIYMIEPIDEYCVQQLKEFEGKTLVSVTKEGLELPEDEEEKKKQEEKKTKFENLCKIMKDILEKKVEKVVVSNRLVTSPCCIVTSTYGWTANMERIMKAQALRDNSTMGYMAAKKHLEINPDHSIIETLRQKAEADKNDKSVKDLVILLYETALLSSGFSLEDPQTHANRIYRMIKLGLGIDEDDPTADDTSAAVTEEMPPLEGDDDTSRMEEVD
  
Inhibitor
Name:
BDBM50347504
Synonyms:
CHEMBL1801572
Type:
Small organic molecule
Emp. Form.:
C16H14ClN3O4
Mol. Mass.:
347.753
SMILES:
CC(=O)NCc1ccc2n(-c3cc(Cl)c(O)cc3O)c(=O)[nH]c2c1 |(.86,-25.99,;2.19,-26.76,;2.19,-28.3,;3.53,-25.99,;4.86,-26.76,;6.19,-25.99,;6.2,-24.45,;7.53,-23.67,;8.86,-24.44,;10.32,-23.95,;10.79,-22.49,;12.3,-22.17,;12.77,-20.7,;14.27,-20.37,;11.73,-19.56,;12.2,-18.09,;10.22,-19.9,;9.76,-21.36,;8.26,-21.7,;11.24,-25.2,;12.78,-25.19,;10.34,-26.45,;8.87,-25.98,;7.53,-26.76,)|
Structure:
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