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Target
Sphingosine kinase 1
Ligand
BDBM50600
Substrate
n/a
Meas. Tech.
ChEBML_1683748
IC50
2000±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:
BDBM50600
Synonyms:
MLS001029919 | N-(3-Chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-N-cyclohexyl-acetamide | N-(3-chloro-1,4-diketo-2-naphthyl)-N-cyclohexyl-acetamide | N-(3-chloro-1,4-dioxo-2-naphthalenyl)-N-cyclohexylacetamide | N-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-cyclohexylacetamide | N-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-N-cyclohexyl-ethanamide | SMR000426871 | cid_282594
Type:
Small organic molecule
Emp. Form.:
C18H18ClNO3
Mol. Mass.:
331.793
SMILES:
CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11|
Structure:
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