Reaction Details Report a problem with these data
Target
Sphingosine kinase 1
Ligand
BDBM50175285
Substrate
n/a
Meas. Tech.
ChEMBL_1580685 (CHEMBL3811131)
Ki
400±n/a nM
Citation
 Houck, JD; Dawson, TK; Kennedy, AJ; Kharel, Y; Naimon, ND; Field, SD; Lynch, KR; Macdonald, TL Structural Requirements and Docking Analysis of Amidine-Based Sphingosine Kinase 1 Inhibitors Containing Oxadiazoles. ACS Med Chem Lett 7:487-92 (2016) [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:
BDBM50175285
Synonyms:
CHEMBL3809605
Type:
Small organic molecule
Emp. Form.:
C24H37ClN4O
Mol. Mass.:
433.03
SMILES:
Cl.CCCCCCCCCCCCc1cccc(c1)-c1nc(no1)C1(CC1)C(N)=N
Structure:
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