Reaction Details Report a problem with these data
Target
Heat shock 70 kDa protein 1A
Ligand
BDBM31695
Substrate
n/a
Meas. Tech.
TR-FRET secondary assay for HTS discovery of chemical inhibitors of Hsp70
IC50
>100000±0 nM
Citation
 PubChem, PC TR-FRET secondary assay for HTS discovery of chemical inhibitors of Hsp70 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:
BDBM31695
Synonyms:
2-cyano-2-(3-pyrrolidinoquinoxalin-2-yl)acetic acid allyl ester | 2-cyano-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetic acid prop-2-enyl ester | MLS000078749 | SMR000041325 | cid_660535 | prop-2-enyl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetate | prop-2-enyl 2-cyano-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)ethanoate
Type:
Small organic molecule
Emp. Form.:
C18H18N4O2
Mol. Mass.:
322.3611
SMILES:
C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
Structure:
Search PDB for entries with ligand similarity: