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ChEMBL ligand: CHEMBL2158685 (Abc-294640, Abc294640, ABC 294640, Opaganib) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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]