Reaction Details Report a problem with these data
Target
Heat shock 70 kDa protein 1A
Ligand
BDBM31704
Substrate
Fluorescein-12-ATP
Meas. Tech.
High Throughput Screening Assay for Hsp70 Inhibitors
pH
7±n/a
Temperature
296.15±n/a K
IC50
100000±n/a nM
Citation
 PubChem, PC High Throughput Screening Assay for Hsp70 Inhibitors PubChem Bioassay (2008)[AID] 
Target
Name:
Heat shock 70 kDa protein 1A
Synonyms:
HSPA1A | Heat Shock 70kDa Protein 1 | V9GZ37_HUMAN | heat shock 70kDa protein 1A
Type:
ATP-binding protein
Mol. Mass.:
51937.99
Organism:
Homo sapiens (Human)
Description:
gi_123271505; GST-tagged ATPase domain
Residue:
476
Sequence:
MAKAAAIGIDLGTTYSCVGVFQHGKGERNVLIFDLGGGTFDVSILTIDDGIFEVKATAGDTHLGGEDFDNRLVNHFVEEFKRKHKKDISQNKRAVRRLRTACERAKRTLSSSTQASLEIDSLFEGIDFYTSITRARFEELCSDLFRSTLEPVEKALRDAKLDKAQIHDLVLVGGSTRIPKVQKLLQDFFNGRDLNKSINPDEAVAYGAAVQAAILMGDKSENVQDLLLLDVAPLSLGLETAGGVMTALIKRNSTIPTKQTQIFTTYSDNQPGVLIQVYEGERAMTKDNNLLGRFELSGIPPAPRGVPQIEVTFDIDANGILNVTATDKSTGKANKITITNDKGRLSKEEIERMVQEAEKYKAEDEVQRERVSAKNALESYAFNMKSAVEDEGLKGKISEADKKKVLDKCQEVISWLDANTLAEKDEFEHKRKELEQVCNPIISGLYQGAGGPGPGGFGAQGPKGGSGSGPTIEEVD
  
Inhibitor
Name:
BDBM31704
Synonyms:
MLS000050353 | N-(2,3-di-2-furyl-6-quinoxalinyl)-1-azepanecarboxamide | N-[2,3-bis(2-furanyl)-6-quinoxalinyl]-1-azepanecarboxamide | N-[2,3-bis(2-furyl)quinoxalin-6-yl]azepane-1-carboxamide | N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]azepane-1-carboxamide | SMR000077614 | cid_2214811
Type:
Small organic molecule
Emp. Form.:
C23H22N4O3
Mol. Mass.:
402.4458
SMILES:
O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCCCCC1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Fluorescein-12-ATP
Synonyms:
n/a
Type:
n/a
Mol. Mass.:
358.43
Organism:
n/a
Description:
n/a
Residue:
3
Sequence:
NA