Reaction Details Report a problem with these data
Target
Sphingosine kinase 1
Ligand
BDBM50393645
Substrate
n/a
Meas. Tech.
ChEMBL_855989 (CHEMBL2161990)
Ki
13000±n/a nM
Citation
 Knott, K; Kharel, Y; Raje, MR; Lynch, KR; Santos, WL Effect of alkyl chain length on sphingosine kinase 2 selectivity. Bioorg Med Chem Lett 22:6817-20 (2012) [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:
BDBM50393645
Synonyms:
CHEMBL2158696
Type:
Small organic molecule
Emp. Form.:
C29H52N
Mol. Mass.:
414.7293
SMILES:
CCCCCCCCCCCCc1ccc(cc1)[C@H]1CC[C@@H](CC1)[N+](C)(C)CCC |r,wU:18.18,wD:21.25,(15.17,-38.8,;15.92,-37.46,;17.46,-37.44,;18.21,-36.1,;19.75,-36.08,;20.5,-34.73,;22.04,-34.71,;22.8,-33.37,;24.34,-33.35,;25.09,-32.01,;26.63,-31.99,;27.38,-30.64,;28.92,-30.62,;29.68,-29.28,;31.21,-29.25,;32.01,-30.57,;31.25,-31.93,;29.71,-31.95,;33.54,-30.54,;34.28,-29.19,;35.83,-29.17,;36.62,-30.5,;35.87,-31.84,;34.33,-31.86,;38.16,-30.48,;39.49,-29.7,;37.75,-28.98,;38.95,-31.8,;40.49,-31.78,;41.28,-33.1,)|
Structure:
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