Reaction Details Report a problem with these data
Target
Tubulin alpha-1A chain
Ligand
BDBM50106309
Substrate
n/a
Meas. Tech.
ChEMBL_212206 (CHEMBL817769)
IC50
457.09±n/a nM
Citation
 Zhang, SX; Feng, J; Kuo, SC; Brossi, A; Hamel, E; Tropsha, A; Lee, KH Antitumor agents. 199. Three-dimensional quantitative structure-activity relationship study of the colchicine binding site ligands using comparative molecular field analysis. J Med Chem 43:167-76 (2000) [PubMed]  Article 
Target
Name:
Tubulin alpha-1A chain
Synonyms:
TBA1A_PIG | TUBA1A | Tubulin | Tubulin alpha chain | Tubulin alpha-1A chain
Type:
Protein
Mol. Mass.:
50049.25
Organism:
Sus scrofa (Pig)
Description:
P02550
Residue:
451
Sequence:
MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFNTFFSETGAGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAANNYARGHYTIGKEIIDLVLDRIRKLADQCTGLQGFSVFHSFGGGTGSGFTSLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVDNEAIYDICRRNLDIERPTYTNLNRLIGQIVSSITASLRFDGALNVDLTEFQTNLVPYPRAHFPLATYAPVISAEKAYHEQLSVAEITNACFEPANQMVKCDPRHGKYMACCLLYRGDVVPKDVNAAIATIKTKRTIQFVDWCPTGFKVGINYEPPTVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYAKRAFVHWYVGEGMEEGEFSEAREDMAALEKDYEEVGVDSVEGEGEEEGEEY
  
Inhibitor
Name:
BDBM50106309
Synonyms:
2-(2'-fluorophenyl)-6-pyrolinyl-4-(1H)-quinolone | 2-(2-Fluoro-phenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one | 2-(2-fluorophenyl)-6-(pyrrolidin-1-yl)quinolin-4(1H)-one | CHEMBL51409
Type:
Small organic molecule
Emp. Form.:
C19H17FN2O
Mol. Mass.:
308.3495
SMILES:
Oc1cc(nc2ccc(cc12)N1CCCC1)-c1ccccc1F
Structure:
Search PDB for entries with ligand similarity: