Reaction Details  Report a problem with these data
Target
Sphingosine kinase 1
Ligand
BDBM50017015
Substrate
n/a
Meas. Tech.
ChEMBL_1364794 (CHEMBL3294302)
IC50
40±n/a nM
Citation
 Plano, D; Amin, S; Sharma, AK Importance of sphingosine kinase (SphK) as a target in developing cancer therapeutics and recent developments in the synthesis of novel SphK inhibitors. J Med Chem 57:5509-24 (2014) [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:
BDBM50017015
Synonyms:
CHEMBL3287035
Type:
Small organic molecule
Emp. Form.:
C19H40ClN3O2
Mol. Mass.:
377.993
SMILES:
Cl.CCCCCCCCCCCCC\C=C\[C@H](O)[C@@H](CO)NC(N)=N |r|
Structure:
Search PDB for entries with ligand similarity: