PF-543 [Ligand Id: 6623] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL3134157
  • sphingosine kinase 1/Sphingosine kinase 1 in Human [ChEMBL: CHEMBL4394] [GtoPdb: 2204] [UniProtKB: Q9NYA1]
  • sphingosine kinase 1/Sphingosine kinase 1 in Mouse [ChEMBL: CHEMBL2401605] [GtoPdb: 2204] [UniProtKB: Q8CI15]
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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 Binding affinity to SK1 (unknown origin) assessed as inhibition of sphingosine phosphorylation B 8.3 pKd 5 nM Kd J Med Chem (2018) 61: 9811-9840 [PMID:29969256]
ChEMBL Inhibition of His6 tagged human SphK1 expressed in Sf21 cells using FITC-sphingosine as substrate preincubated for 90 mins prior substrate addition by Caliper assay B 8.37 pKi 4.3 nM Ki ACS Med. Chem. Lett. (2014) 5: 1329-1333 [PMID:25516793]
ChEMBL Inhibition of SK1 (unknown origin) B 8.4 pKi 4 nM Ki J. Med. Chem. (2016) 59: 965-984 [PMID:26780304]
GtoPdb - - 8.44 pKi 3.6 nM Ki Biochem. J. (2012) 444: 79-88 [PMID:22397330]
ChEMBL Inhibition of human recombinant SphK1 expressed in Sf9 cells assessed as radiolabeled products using 5 uM sphingosine and 10 uM gamma[32P]ATP by liquid scintillation counting B 8.44 pKi 3.6 nM Ki J. Med. Chem. (2015) 58: 1879-1899 [PMID:25643074]
ChEMBL Inhibition of recombinant human C-terminal His-tagged SPHK1 expressed in fall armyworm sf21 cells using sphingosine as substrate after 1 hr by FITC-based caliper assay B 8.44 pKi 3.6 nM Ki J Med Chem (2017) 60: 3933-3957 [PMID:28406646]
ChEMBL Inhibition of human C-terminal His6-tagged SphK1 expressed in baculovirus infected Sf21 insect cells B 8.44 pKi 3.6 nM Ki Eur J Med Chem (2017) 139: 461-481 [PMID:28822281]
ChEMBL Inhibition of recombinant His-tagged human SK1 assessed as production of [32P]-S1P using 10 uM sphingosine as substrate by TLC method in presence of 100 uM [gamma32P]-ATP B 6.41 pIC50 387 nM IC50 J. Med. Chem. (2016) 59: 965-984 [PMID:26780304]
ChEMBL Inhibition of recombinant SK1 (unknown origin) using sphingosine and [gamma-32P]ATP as substrate after 30 mins B 7.55 pIC50 28 nM IC50 MedChemComm (2013) 4: 1394-1399 [PMID:24396570]
ChEMBL Inhibition of SK1 (unknown origin) using 5 uM of sphingosine as substrate B 7.55 pIC50 28 nM IC50 J. Med. Chem. (2016) 59: 965-984 [PMID:26780304]
ChEMBL Inhibition of SPHK1 in human whole-blood using C17-sphingosine as substrate assessed as reduction in C17-S1P production preincubated for 30 mins followed by substrate addition measured after 10 mins by MS analysis B 7.7 pIC50 20 nM IC50 J Med Chem (2017) 60: 2562-2572 [PMID:28231433]
ChEMBL Inhibition of SK1 (unknown origin) using 3 uM of sphingosine as substrate B 8.52 pIC50 3 nM IC50 J. Med. Chem. (2016) 59: 965-984 [PMID:26780304]
ChEMBL Inhibition of recombinant C-terminal His6-tagged human SphK1 expressed in baculovirus infected sf21 cells using FITC-sphingosine as substrate after 1 hr in presence of ATP by microfluidic capillary electrophoresis mobility shift assay B 8.57 pIC50 2.7 nM IC50 Bioorg Med Chem (2017) 25: 3046-3052 [PMID:28408190]
ChEMBL Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as substrate after 1 hr by FITC-based caliper assay B 8.57 pIC50 2.7 nM IC50 J Med Chem (2017) 60: 2562-2572 [PMID:28231433]
GtoPdb - - 8.57 pIC50 2.7 nM IC50 J. Med. Chem. (2017) 60: 2562-2572 [PMID:28231433]
ChEMBL Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in ADP formation using sphingosine as substrate preincubated for 15 mins followed by substrate addition after 1 hr by transcreener-based fluorescence polarization assay B 8.7 pIC50 2 nM IC50 J Med Chem (2017) 60: 2562-2572 [PMID:28231433]
GtoPdb - - 8.7 pIC50 2 nM IC50 Biochem. J. (2012) 444: 79-88 [PMID:22397330]
ChEMBL Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins with substrate measured after 15 mins by LC-MS analysis B 9.1 pIC50 0.8 nM IC50 J Med Chem (2017) 60: 2562-2572 [PMID:28231433]
sphingosine kinase 1/Sphingosine kinase 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2401605] [GtoPdb: 2204] [UniProtKB: Q8CI15]
ChEMBL Inhibition of SphK1 in mouse erythrocytes using sphingosine as substrate by luminescence assay B 8.44 pKi 3.6 nM Ki ACS Med. Chem. Lett. (2016) 7: 229-234 [PMID:26985306]
sphingosine kinase 2/Sphingosine kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3023] [GtoPdb: 2205] [UniProtKB: Q9NRA0]
ChEMBL Inhibition of recombinant human SK2 assessed as production of [32P] S1P using 10 uM sphingosine as substrate by TLC method in presence of 100 uM [gamma32P]-ATP relative to control B 4.77 pIC50 17000 nM IC50 J. Med. Chem. (2016) 59: 965-984 [PMID:26780304]
ChEMBL Inhibition of SK2 (unknown origin) B 5 pIC50 >10000 nM IC50 J. Med. Chem. (2016) 59: 965-984 [PMID:26780304]
ChEMBL Inhibition of human recombinant C-terminal His6 tagged SphK2 expressed in baculovirus infected sf21 cells using FITC-sphingosine as substrate after 1 hr in presence of ATP by microfluidic capillary electrophoresis mobility shift assay B 6.44 pIC50 360 nM IC50 Bioorg Med Chem (2017) 25: 3046-3052 [PMID:28408190]
ChEMBL Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay B 6.45 pIC50 356 nM IC50 J Med Chem (2017) 60: 2562-2572 [PMID:28231433]
GtoPdb - - 6.45 pIC50 356 nM IC50 J. Med. Chem. (2017) 60: 2562-2572 [PMID:28231433]

ChEMBL data shown on this page come from version 27:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]