Reaction Details Report a problem with these data
Target
Sphingosine kinase 1
Ligand
BDBM50552500
Substrate
n/a
Meas. Tech.
ChEMBL_2034874 (CHEMBL4689032)
EC50
299±n/a nM
Citation
 Li, H; Sibley, CD; Kharel, Y; Huang, T; Brown, AM; Wonilowicz, LG; Bevan, DR; Lynch, KR; Santos, WL Lipophilic tail modifications of 2-(hydroxymethyl)pyrrolidine scaffold reveal dual sphingosine kinase 1 and 2 inhibitors. Bioorg Med Chem 30:0 (2021) [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:
BDBM50552500
Synonyms:
CHEMBL4743459
Type:
Small organic molecule
Emp. Form.:
C25H25ClF3NO2
Mol. Mass.:
463.92
SMILES:
Cl.OC[C@H]1CCCN1Cc1ccc(Oc2ccc(cc2)-c2cccc(c2)C(F)(F)F)cc1 |r|
Structure:
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