Reaction Details Report a problem with these data
Target
Tubulin beta-1 chain
Ligand
BDBM50159299
Substrate
n/a
Meas. Tech.
ChEMBL_305199 (CHEMBL832453)
IC50
5500±n/a nM
Citation
 Ducki, S; Mackenzie, G; Lawrence, NJ; Snyder, JP Quantitative structure-activity relationship (5D-QSAR) study of combretastatin-like analogues as inhibitors of tubulin assembly. J Med Chem 48:457-65 (2005) [PubMed]  Article 
Target
Name:
Tubulin beta-1 chain
Synonyms:
TBB1_HUMAN | TUBB1
Type:
PROTEIN
Mol. Mass.:
50311.77
Organism:
Homo sapiens (Human)
Description:
ChEMBL_305173
Residue:
451
Sequence:
MREIVHIQIGQCGNQIGAKFWEMIGEEHGIDLAGSDRGASALQLERISVYYNEAYGRKYVPRAVLVDLEPGTMDSIRSSKLGALFQPDSFVHGNSGAGNNWAKGHYTEGAELIENVLEVVRHESESCDCLQGFQIVHSLGGGTGSGMGTLLMNKIREEYPDRIMNSFSVMPSPKVSDTVVEPYNAVLSIHQLIENADACFCIDNEALYDICFRTLKLTTPTYGDLNHLVSLTMSGITTSLRFPGQLNADLRKLAVNMVPFPRLHFFMPGFAPLTAQGSQQYRALSVAELTQQMFDARNTMAACDLRRGRYLTVACIFRGKMSTKEVDQQLLSVQTRNSSCFVEWIPNNVKVAVCDIPPRGLSMAATFIGNNTAIQEIFNRVSEHFSAMFKRKAFVHWYTSEGMDINEFGEAENNIHDLVSEYQQFQDAKAVLEEDEEVTEEAEMEPEDKGH
  
Inhibitor
Name:
BDBM50159299
Synonyms:
1,2,3-Trifluoro-5-[(Z)-2-(3-fluoro-4-methoxy-phenyl)-vinyl]-benzene | CHEMBL195605
Type:
Small organic molecule
Emp. Form.:
C15H10F4O
Mol. Mass.:
282.2329
SMILES:
COc1ccc(\C=C/c2cc(F)c(F)c(F)c2)cc1F
Structure:
Search PDB for entries with ligand similarity: