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

Click here for a description of the charts and data table

Please tell us if you are using this feature and what you think!

ChEMBL ligand: CHEMBL2158685 (Abc-294640, Abc294640, ABC 294640, Opaganib)
  • sphingosine kinase 1/Sphingosine kinase 1 in Human [ChEMBL: CHEMBL4394] [GtoPdb: 2204] [UniProtKB: Q9NYA1]
There should be some charts here, you may need to enable JavaScript!
  • sphingosine kinase 2/Sphingosine kinase 2 in Human [ChEMBL: CHEMBL3023] [GtoPdb: 2205] [UniProtKB: Q9NRA0]
There should be some charts here, you may need to enable JavaScript!
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 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 Binding affinity to Sphk2 (unknown origin) assessed as inhibition constant B 5.01 pKi 9800 nM Ki J Med Chem (2022) 65: 893-921 [PMID:33539089]
ChEMBL Binding affinity to recombinant SphK2 (unknown origin) ADP Quest assay system B 5.01 pKi 9800 nM Ki J Med Chem (2022) 65: 935-954 [PMID:33970631]
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 SphK2 (unknown origin) assessed as inhibition constant B 5.01 pKi 9800 nM Ki Eur J Med Chem (2021) 213: 113164-113164 [PMID:33454547]
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 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]