| Reaction Details |
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 | Report a problem with these data |
| Target | Sphingosine kinase 1 |
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| Ligand | BDBM50438126 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_972986 (CHEMBL2412224) |
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| IC50 | 5.0±n/a nM |
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| Citation |  Gustin, DJ; Li, Y; Brown, ML; Min, X; Schmitt, MJ; Wanska, M; Wang, X; Connors, R; Johnstone, S; Cardozo, M; Cheng, AC; Jeffries, S; Franks, B; Li, S; Shen, S; Wong, M; Wesche, H; Xu, G; Carlson, TJ; Plant, M; Morgenstern, K; Rex, K; Schmitt, J; Coxon, A; Walker, N; Kayser, F; Wang, Z Structure guided design of a series of sphingosine kinase (SphK) inhibitors. Bioorg Med Chem Lett23:4608-16 (2013) [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 |
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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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| BDBM50438126 |
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| n/a |
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| Name | BDBM50438126 |
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| Synonyms: | CHEMBL2407197 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H37N3O2S |
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| Mol. Mass. | 467.667 |
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| SMILES | OC[C@H]1C[C@@H](O)CCN1CCc1ccc(Nc2nc(cs2)C23CC4CC(CC(C4)C2)C3)cc1 |r,TLB:24:25:23.22.28:29,THB:24:23:25.30.26:29,26:25:22:28.27.29,26:27:24.25.30:22| |
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| Structure | 
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