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ChEMBL ligand: CHEMBL1076555 |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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5-LOX/Arachidonate 5-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917] | ||||||||
ChEMBL | Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate preincubated for 15 mins before substrate addition measured after 10 mins | B | 6.15 | pIC50 | 700 | nM | IC50 | Eur J Med Chem (2014) 84: 302-311 [PMID:25036790] |
ChEMBL | Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) using arachidonic acid as substrate preincubated for 15 mins before substrate addition measured after 10 mins by HPLC analysis | B | 7.52 | pIC50 | 30 | nM | IC50 | Eur J Med Chem (2014) 84: 302-311 [PMID:25036790] |
Salivary alpha-amylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2478] [UniProtKB: P0DUB6] | ||||||||
ChEMBL | Inhibition of human salivary alpha-amylase using GalG2CNP as substrate by UV-Vis spectrophotometric analysis | B | 2.98 | pIC50 | 1043000 | nM | IC50 | Bioorg Med Chem (2015) 23: 6725-6732 [PMID:26395057] |
sphingosine kinase 1/Sphingosine kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4394] [GtoPdb: 2204] [UniProtKB: Q9NYA1] | ||||||||
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 | 4.77 | pKi | 17000 | nM | Ki | J Med Chem (2015) 58: 1879-1899 [PMID:25643074] |
ChEMBL | Inhibition of recombinant human GST-tagged SphK1 using [3H]-sphingosine as substrate after 30 mins by scintillation counting method | B | 4.77 | pKi | 17000 | nM | Ki | Eur J Med Chem (2017) 139: 461-481 [PMID:28822281] |
ChEMBL | Inhibition of SPHK1 (unknown origin) | B | 4.77 | pKi | 17000 | nM | Ki | Bioorg Med Chem (2016) 24: 3218-3230 [PMID:27255176] |
ChEMBL | Inhibition of recombinant human SphK1 expressed in baculovirus infected Sf9 cells assessed as decrease in [33P]SIP production using D-erythro-sphingosine as substrate in presence of [gamma33P]-ATP by scintillation counting method | B | 4.8 | pKi | 16000 | nM | Ki | Bioorg Med Chem (2021) 30: 115941-115941 [PMID:33385956] |
ChEMBL | Inhibition of SK1 (unknown origin) | B | 4.8 | pKi | 16000 | nM | Ki | J Med Chem (2016) 59: 965-984 [PMID:26780304] |
ChEMBL | Inhibition of recombinant human SPHK1 expressed in Escherichia coli using [3-3H]sphingosine as substrate after 30 mins by scintillation counting | B | 4.8 | pKi | 16000 | nM | Ki | J Med Chem (2017) 60: 3933-3957 [PMID:28406646] |
ChEMBL | Inhibition of full-length SK1 (unknown origin) (2 to 384 residues) expressed in Escherichia coli using Sph as substrate by resorufin based fluorescence assay | B | 4.8 | pKi | 16000 | nM | Ki | J Med Chem (2019) 62: 3658-3676 [PMID:30889352] |
GtoPdb | - | - | 4.8 | pKi | 16000 | nM | Ki | J Pharmacol Exp Ther (2010) 333: 129-39 [PMID:20061445] |
ChEMBL | Inhibition of SPHK1 | B | 4.92 | pKi | 12000 | nM | Ki | J Med Chem (2011) 54: 3524-3548 [PMID:21495716] |
ChEMBL | Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells | B | 4.92 | pKi | 12000 | nM | Ki | J Med Chem (2011) 54: 3524-3548 [PMID:21495716] |
ChEMBL | Inhibition of purified human SphK1 assessed as inhibition of formation of [33P]-S1P after 50 mins by scintillation counting | B | 6.3 | pKi | 500 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 4608-4616 [PMID:23845219] |
ChEMBL | Inhibition of recombinant human SphK1 using NBD-sphingosine as substrate after 2 hrs in presence of ATP by HPLC method | B | 4.46 | pIC50 | 35000 | nM | IC50 | Bioorg Med Chem (2017) 25: 3046-3052 [PMID:28408190] |
ChEMBL | Inhibition of SK1 (unknown origin) | B | 4.46 | pIC50 | 35000 | nM | IC50 | J Med Chem (2018) 61: 9811-9840 [PMID:29969256] |
GtoPdb | Measured using a GST-hSPHK1 fusion protein | - | 6.3 | pIC50 | 500 | nM | IC50 | Cancer Res (2003) 63: 5962-9 [PMID:14522923] |
sphingosine kinase 2/Sphingosine kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3023] [GtoPdb: 2205] [UniProtKB: Q9NRA0] | ||||||||
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 | 4.3 | pKi | 50000 | nM | Ki | J Med Chem (2015) 58: 1879-1899 [PMID:25643074] |
ChEMBL | Inhibition of SPHK2 (unknown origin) | B | 4.3 | pKi | 50000 | nM | Ki | Bioorg Med Chem (2016) 24: 3218-3230 [PMID:27255176] |
GtoPdb | - | - | 5.1 | pKi | 7900 | nM | Ki | PLoS ONE (2012) 7: e44543 [PMID:22970244] |
ChEMBL | Inhibition of SK2 (unknown origin) | B | 5.1 | pKi | 7900 | nM | Ki | J Med Chem (2016) 59: 965-984 [PMID:26780304] |
ChEMBL | Inhibition of recombinant human SPHK2 expressed in Escherichia coli using [3-3H]sphingosine as substrate after 30 mins by scintillation counting | B | 5.1 | pKi | 7900 | nM | Ki | J Med Chem (2017) 60: 3933-3957 [PMID:28406646] |
ChEMBL | Inhibition of recombinant human SphK2 assessed as decrease in [33P]SIP production using sphingosine as substrate in presence of [gamma33P]-ATP by scintillation counting method | B | 5.1 | pKi | 7900 | nM | Ki | Bioorg Med Chem (2021) 30: 115941-115941 [PMID:33385956] |
ChEMBL | Inhibition of SK2 (unknown origin) | B | 5.17 | pKi | 6700 | nM | Ki | J Med Chem (2019) 62: 3658-3676 [PMID:30889352] |
ChEMBL | Inhibition of recombinant human SphK2 using NBD-sphingosine as substrate after 2 hrs in presence of ATP by HPLC method | B | 4.7 | pIC50 | 20000 | nM | IC50 | Bioorg Med Chem (2017) 25: 3046-3052 [PMID:28408190] |
ChEMBL | Inhibition of SK2 (unknown origin) | B | 4.7 | pIC50 | 20000 | nM | IC50 | J Med Chem (2018) 61: 9811-9840 [PMID:29969256] |
sphingosine kinase 2/Sphingosine kinase 2 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075305] [GtoPdb: 2205] [UniProtKB: Q9JIA7] | ||||||||
ChEMBL | Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells | B | 4.48 | pKi | 33000 | nM | Ki | J Med Chem (2011) 54: 3524-3548 [PMID:21495716] |
Transitional endoplasmic reticulum ATPase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075145] [UniProtKB: P55072] | ||||||||
ChEMBL | Inhibition of VCP assessed as conversion of ATP to ADP by enzyme coupled glucokinase assay | B | 7.15 | pIC50 | 70 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 1677-1679 [PMID:20137940] |
ChEMBL | Inhibition of VCP in human HeLa cells assessed as stabilization of ubiquitin-tagged luciferase after 24 hrs by reporter gene assay | B | 5.92 | pEC50 | <1200 | nM | EC50 | Bioorg Med Chem Lett (2010) 20: 1677-1679 [PMID:20137940] |
delta 4-desaturase, sphingolipid 1 in Human [GtoPdb: 2484] [UniProtKB: O15121] | ||||||||
GtoPdb | - | - | 6.52 | pKi | 300 | nM | Ki | J Lipid Res (2014) 55: 1711-20 [PMID:24875537] |
ChEMBL data shown on this page come from version 33:
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]