Reaction Details Report a problem with these data
Target
Similar to alpha-tubulin isoform 1
Ligand
BDBM50055043
Substrate
n/a
Meas. Tech.
ChEMBL_1454846 (CHEMBL3363845)
IC50
>400000±n/a nM
Citation
 Porců, E; Sipos, A; Basso, G; Hamel, E; Bai, R; Stempfer, V; Udvardy, A; Bényei, AC; Schmidhammer, H; Antus, S; Viola, G Novel 9'-substituted-noscapines: synthesis with Suzuki cross-coupling, structure elucidation and biological evaluation. Eur J Med Chem 84:476-90 (2014) [PubMed]  Article 
Target
Name:
Similar to alpha-tubulin isoform 1
Synonyms:
Similar to alpha-tubulin isoform 1
Type:
PROTEIN
Mol. Mass.:
10383.05
Organism:
Bos taurus
Description:
ChEMBL_104716
Residue:
99
Sequence:
CVSASPSTLARLVSRSAMPAGSSTAWNTAFSPMARCQVTKTIGGGDDSFNTFFSETGAGKHVPRAVFVDLEPTVIDEVRTGTYRSSSTLSSSSQAKKMP
  
Inhibitor
Name:
BDBM50055043
Synonyms:
CHEMBL3323244
Type:
Small organic molecule
Emp. Form.:
C29H29NO8
Mol. Mass.:
519.5425
SMILES:
[H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(c3OCOc3c(OC)c12)-c1ccccc1OC |r,wD:15.17,1.0,(20.04,-28.64,;21.39,-29.41,;22.64,-30.31,;22.16,-31.78,;23.07,-33.02,;20.62,-31.78,;20.15,-30.32,;18.65,-30.01,;17.62,-31.15,;18.11,-32.61,;17.08,-33.76,;15.58,-33.45,;19.61,-32.92,;20.09,-34.38,;19.06,-35.53,;21.38,-27.87,;22.7,-28.63,;22.72,-27.09,;24.06,-27.85,;22.72,-25.53,;21.37,-24.76,;20.03,-25.54,;18.69,-24.78,;17.37,-25.55,;15.89,-25.07,;14.98,-26.32,;15.89,-27.57,;17.36,-27.09,;18.7,-27.86,;18.69,-29.4,;17.36,-30.17,;20.04,-27.1,;18.69,-23.24,;20.02,-22.47,;20.02,-20.94,;18.68,-20.17,;17.35,-20.95,;17.35,-22.48,;16.03,-23.26,;14.69,-22.5,)|
Structure:
Search PDB for entries with ligand similarity: