opaganib [Ligand Id: 6624] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL2158685 (Abc294640, Abc-294640, ABC 294640, Opaganib)
  • sphingosine kinase 1/Sphingosine kinase 1 in Human [ChEMBL: CHEMBL4394] [GtoPdb: 2204] [UniProtKB: Q9NYA1]
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  • sphingosine kinase 2/Sphingosine kinase 2 in Human [ChEMBL: CHEMBL3023] [GtoPdb: 2205] [UniProtKB: Q9NRA0]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
sphingosine kinase 1/Sphingosine kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4394] [GtoPdb: 2204] [UniProtKB: Q9NYA1]
ChEMBL Inhibition of recombinant human SphK1 using NBD-sphingosine as substrate after 2 hrs in presence of ATP by HPLC method B 4 pIC50 >100000 nM IC50 Bioorg Med Chem (2017) 25: 3046-3052 [PMID:28408190]
sphingosine kinase 2/Sphingosine kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3023] [GtoPdb: 2205] [UniProtKB: Q9NRA0]
ChEMBL Inhibition of SK2 (unknown origin) B 5 pKi 10000 nM Ki J Med Chem (2016) 59: 965-984 [PMID:26780304]
ChEMBL Inhibition of SK2 (unknown origin) B 5 pKi 10000 nM Ki Medchemcomm (2013) 4: 1394-1399 [PMID:24396570]
ChEMBL Inhibition of SphK2 (unknown origin) B 5 pKi 10000 nM Ki Bioorg Med Chem Lett (2015) 25: 4956-4960 [PMID:25862200]
ChEMBL Inhibition of human recombinant SphK2 expressed in Sf9 cells assessed as radiolabeled products using 10 uM sphingosine and 10 uM gamma[32P]ATP by liquid scintillation counting B 5.01 pKi 9800 nM Ki J Med Chem (2015) 58: 1879-1899 [PMID:25643074]
ChEMBL Inhibition of SPHK2 (unknown origin) B 5.01 pKi 9800 nM Ki Bioorg Med Chem (2016) 24: 3218-3230 [PMID:27255176]
ChEMBL Inhibition of recombinant human SPHK2 using sphingosine as substrate by ADP-Quest assay B 5.01 pKi 9800 nM Ki J Med Chem (2017) 60: 3933-3957 [PMID:28406646]
ChEMBL Inhibition of recombinant human full-length N-terminal His-tagged SK2 expressed in baculovirus infected Sf9 insect cells using NBD-Sph as substrate measured after 2 hrs by fluorescence based HPLC analysis B 5.01 pKi 9800 nM Ki J Med Chem (2019) 62: 3658-3676 [PMID:30889352]
ChEMBL Inhibition of recombinant human N-terminal His-tagged full length SphK2 expressed in baculovirus infected Sf9 cells using C17-sphingosine as substrate incubated for 2 hrs by ADQ Quest assay B 5.01 pKi 9800 nM Ki Eur J Med Chem (2020) 206: 112713-112713 [PMID:32919113]
ChEMBL Inhibition of human recombinant SphK2 using NBD-sphingosine as substrate after 2 hrs by HPLC analysis B 5.01 pKi 9800 nM Ki Bioorg Med Chem Lett (2012) 22: 6817-6820 [PMID:22321213]
ChEMBL Inhibition of recombinant human N-terminal His-tagged Sphk2 (2 to 593 residues) expressed in Escherichia coli using varying level of sphingosine as substrate by ADP quest assay B 5.01 pKi 9800 nM Ki Eur J Med Chem (2021) 212: 113121-113121 [PMID:33445156]
ChEMBL Inhibition of purified human SphK2 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting B 5.01 pKi 9800 nM Ki Bioorg Med Chem Lett (2013) 23: 4608-4616 [PMID:23845219]
ChEMBL Competitive inhibition of human recombinant SphK2 assessed as NBD-S1P formation using NBD-Sph as substrate by HPLC analysis B 5.01 pKi 9800 nM Ki J Med Chem (2014) 57: 5509-5524 [PMID:24471412]
GtoPdb - - 5.01 pKi 9800 nM Ki J Pharmacol Exp Ther (2010) 333: 129-39 [PMID:20061445]
ChEMBL Inhibition of recombinant human SphK2 using NBD-sphingosine as substrate after 2 hrs in presence of ATP by HPLC method B 4.22 pIC50 60000 nM IC50 Bioorg Med Chem (2017) 25: 3046-3052 [PMID:28408190]

ChEMBL data shown on this page come from version 32:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]