Reaction Details |
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Target | Sphingosine kinase 1 |
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Ligand | BDBM50443388 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1474026 (CHEMBL3419997) |
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Ki | 13000±n/a nM |
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Citation | Patwardhan, NN; Morris, EA; Kharel, Y; Raje, MR; Gao, M; Tomsig, JL; Lynch, KR; Santos, WL Structure-activity relationship studies and in vivo activity of guanidine-based sphingosine kinase inhibitors: discovery of SphK1- and SphK2-selective inhibitors. J Med Chem58:1879-99 (2015) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Sphingosine kinase 1 |
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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: | MDPAGGPRGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHA
RELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASL
NHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLE
SEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSKTPASPVVVQQGPVDAHLVP
LEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLL
RLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFW
MVSGCVEPPPSWKPQQMPPPEEPL
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BDBM50443388 |
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n/a |
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Name | BDBM50443388 |
Synonyms: | CHEMBL3086782 | US9688668, SLR080811 |
Type | Small organic molecule |
Emp. Form. | C21H31N5O |
Mol. Mass. | 369.5037 |
SMILES | CCCCCCCCc1ccc(cc1)-c1noc(n1)[C@@H]1CCCN1C(N)=N |r| |
Structure |
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