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Target
Sphingosine kinase 1
Ligand
BDBM50393642
Substrate
n/a
Meas. Tech.
ChEBML_1683748
IC50
>100000±n/a nM
Citation
 Ohno, H; Honda, M; Hamada, N; Miyagaki, J; Iwata, A; Otsuki, K; Maruyama, T; Nakamura, S; Nakanishi, I; Inuki, S; Fujii, N; Oishi, S Identification of selective inhibitors of sphingosine kinases 1 and 2 through a structure-activity relationship study of 4-epi-jaspine B. Bioorg Med Chem 25:3046-3052 (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:
Homo sapiens (Human)
Description:
Q9NYA1
Residue:
384
Sequence:
MDPAGGPRGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSKTPASPVVVQQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSGCVEPPPSWKPQQMPPPEEPL
  
Inhibitor
Name:
BDBM50393642
Synonyms:
CHEMBL2158685
Type:
Small organic molecule
Emp. Form.:
C23H25ClN2O
Mol. Mass.:
380.91
SMILES:
Clc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)NCc1ccncc1)C2 |TLB:14:9:26:15.13.12,14:13:8.9.10:26,THB:16:13:8:10.11.26,16:13:8.9.10:26,12:13:8:10.11.26,12:11:8:15.14.13|
Structure:
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