Reaction Details Report a problem with these data
Target
Tubulin beta-1 chain
Ligand
BDBM50157479
Substrate
n/a
Meas. Tech.
ChEMBL_305242 (CHEMBL833500)
IC50
4800±n/a nM
Citation
Nakagawa-Goto, K; Chen, CX; Hamel, E; Wu, CC; Bastow, KF; Brossi, A; Lee, KH Antitumor agents. Part 236: Synthesis of water-soluble colchicine derivatives. Bioorg Med Chem Lett 15:235-8 (2004) [PubMed] Article
More Info.:
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:
BDBM50157479
Synonyms:
2-Desmethylcolchicin | 2-demethylcolchicine | 2-dimethylcolchicine | CHEMBL1080 | N-((S)-2-Hydroxy-1,3,10-trimethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide | N-(2-Hydroxy-1,3,10-trimethoxy-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl)-acetamide
Type:
Small organic molecule
Emp. Form.:
C21H23NO6
Mol. Mass.:
385.4104
SMILES:
COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1O |r|