Reaction Details Report a problem with these data
Target
Sphingosine kinase 1
Ligand
BDBM50443384
Substrate
n/a
Meas. Tech.
ChEMBL_1276446 (CHEMBL3088542)
IC50
2200±n/a nM
Citation
 Baek, DJ; MacRitchie, N; Anthony, NG; Mackay, SP; Pyne, S; Pyne, NJ; Bittman, R Structure-activity relationships and molecular modeling of sphingosine kinase inhibitors. J Med Chem 56:9310-27 (2013) [PubMed]  Article 
Target
Name:
Sphingosine kinase 1
Synonyms:
SK1 | SPHK | SPHK1 | SPHK1_HUMAN | SPK | Sphingosine kinase 1 | Sphingosine kinase 1 (SPHK1) | Sphingosine kinase types 1 (SphK1)
Type:
Enzyme
Mol. Mass.:
42521.16
Organism:
Homo sapiens (Human)
Description:
Q9NYA1
Residue:
384
Sequence:
MDPAGGPRGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSKTPASPVVVQQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSGCVEPPPSWKPQQMPPPEEPL
  
Inhibitor
Name:
BDBM50443384
Synonyms:
CHEMBL3086799
Type:
Small organic molecule
Emp. Form.:
C21H35NO
Mol. Mass.:
317.5087
SMILES:
CCCCCCCCc1ccc(CCN2CCC[C@@H]2CO)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: