| Reaction Details |
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 | Report a problem with these data |
| Target | Sphingosine kinase 1 |
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| Ligand | BDBM50407508 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2267127 |
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| IC50 | 3100±n/a nM |
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| Citation |  Ding, T; Zhi, Y; Xie, W; Yao, Q; Liu, B Rational design of SphK inhibitors using crystal structures aided by computer. Eur J Med Chem213:0 (2021) [PubMed] |
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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 |
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| Synonyms: | SK1 | SPHK | SPHK1 | SPHK1_HUMAN | SPK | Sphingosine kinase 1 | Sphingosine kinase 1 (SPHK1) | Sphingosine kinase types 1 (SphK1) |
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| Type: | Enzyme |
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| Mol. Mass.: | 42521.16 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q9NYA1 |
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| Residue: | 384 |
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| Sequence: | MDPAGGPRGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHA
RELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASL
NHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLE
SEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSKTPASPVVVQQGPVDAHLVP
LEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLL
RLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFW
MVSGCVEPPPSWKPQQMPPPEEPL
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| BDBM50407508 |
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| n/a |
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| Name | BDBM50407508 |
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| Synonyms: | CHEMBL5274862 |
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| Type | Small organic molecule |
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| Emp. Form. | C33H24N4O3 |
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| Mol. Mass. | 524.5687 |
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| SMILES | COc1ccc2[nH]c(=O)c(\C=C\C(=O)c3ccc(Nc4nccc(n4)-c4ccc5ccccc5c4)cc3)cc2c1 |
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| Structure | 
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