Target
Sphingosine kinase 1
Ligand
BDBM50237435
Substrate
n/a
Meas. Tech.
ChEMBL_1660110 (CHEMBL4009722)
IC50
0.700000±n/a nM
Citation
 Schnute, MEMcReynolds, MDCarroll, JChrencik, JHighkin, MKIyanar, KJerome, GRains, JWSaabye, MScholten, JAYates, MNagiec, MM Discovery of a Potent and Selective Sphingosine Kinase 1 Inhibitor through the Molecular Combination of Chemotype-Distinct Screening Hits. J Med Chem 60:2562-2572 (2017) [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:
Human
Description:
Q9NYA1
Residue:
384
Sequence:
MDPAGGPRGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSKTPASPVVVQQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSGCVEPPPSWKPQQMPPPEEPL
  
Inhibitor
Name:
BDBM50237435
Synonyms:
CHEMBL4066270
Type:
Small organic molecule
Emp. Form.:
C25H33NO2
Mol. Mass.:
379.535
SMILES:
OC[C@H]1CCCN1Cc1ccc(COc2cccc(c2)C2CCCCC2)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: