Reaction Details Report a problem with these data
Target
Sphingosine kinase 1
Ligand
BDBM50605389
Substrate
n/a
Meas. Tech.
ChEMBL_2251057 (CHEMBL5165267)
IC50
678±n/a nM
Citation
 Zhang, S; Chen, X; Wu, C; Xu, H; Xie, X; Feng, M; Hu, S; Bai, H; Gao, F; Tong, L; Ding, J; Liu, H; Xie, Z; Wang, J Novel Sphingosine Kinase 1 Inhibitor Suppresses Growth of Solid Tumor and Inhibits the Lung Metastasis of Triple-Negative Breast Cancer. J Med Chem 65:7697-7716 (2022) [PubMed] 
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:
BDBM50605389
Synonyms:
CHEMBL5192773
Type:
Small organic molecule
Emp. Form.:
C28H33NO4S
Mol. Mass.:
479.631
SMILES:
Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCCCC3CO)cc2)c1
Structure:
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