Reaction Details Report a problem with these data
Target
Tubulin beta-1 chain
Ligand
BDBM50159303
Substrate
n/a
Meas. Tech.
ChEMBL_305199 (CHEMBL832453)
IC50
>10000±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:
BDBM50159303
Synonyms:
(E)-3-(4''-Methoxy-3''-nitrophenyl)-2-methyl-1-(3',4',5'-trimethoxyphenyl)prop-2-en-1-one | (E)-3-(4-Methoxy-3-nitro-phenyl)-2-methyl-1-(3,4,5-trimethoxy-phenyl)-propenone | CHEMBL364517
Type:
Small organic molecule
Emp. Form.:
C20H21NO7
Mol. Mass.:
387.3832
SMILES:
COc1cc(cc(OC)c1OC)C(=O)C(\C)=C\c1ccc(OC)c(c1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: