Reaction Details Report a problem with these data
Target
Heat shock 70 kDa protein 1A
Ligand
BDBM31715
Substrate
Fluorescein-12-ATP
Meas. Tech.
High Throughput Screening Assay for Hsp70 Inhibitors
pH
7±n/a
Temperature
296.15±n/a K
IC50
21700±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:
BDBM31715
Synonyms:
3-[(4Z)-4-[(E)-3-(2-furanyl)prop-2-enylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid | 3-[(4Z)-4-[(E)-3-(2-furyl)prop-2-enylidene]-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid | 3-[(4Z)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid | 3-[(4Z)-4-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid | 3-{4-[3-(2-furyl)-2-propenylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid | MLS000549909 | SMR000113614 | cid_9549698
Type:
Small organic molecule
Emp. Form.:
C18H14N2O4
Mol. Mass.:
322.3148
SMILES:
OC(=O)c1cccc(c1)-n1[nH]c(=C)c(=CC=Cc2ccco2)c1=O |w:14.15|
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