Reaction Details Report a problem with these data
Target
Heat shock protein HSP 90-alpha
Ligand
BDBM50347501
Substrate
n/a
Meas. Tech.
ChEMBL_754454 (CHEMBL1806079)
IC50
15200±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:
BDBM50347501
Synonyms:
CHEMBL1802337
Type:
Small organic molecule
Emp. Form.:
C13H9ClN2O3
Mol. Mass.:
276.675
SMILES:
Oc1cc(O)c(cc1Cl)-n1c2ccccc2[nH]c1=O |(-3.04,-5.92,;-3.78,-7.27,;-5.32,-7.3,;-6.06,-8.65,;-7.59,-8.69,;-5.26,-9.96,;-3.72,-9.93,;-2.98,-8.58,;-1.44,-8.55,;-6,-11.31,;-7.47,-11.78,;-8.8,-11.02,;-10.13,-11.79,;-10.13,-13.33,;-8.8,-14.1,;-7.47,-13.33,;-6,-13.8,;-5.1,-12.55,;-3.56,-12.55,)|
Structure:
Search PDB for entries with ligand similarity: