abrocitinib [Ligand Id: 9991] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL3655081 (PF-04965842, Abrocitinib)
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  • Janus kinase 1/Tyrosine-protein kinase JAK1 in Human [ChEMBL: CHEMBL2835] [GtoPdb: 2047] [UniProtKB: P23458]
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  • Janus kinase 2/Tyrosine-protein kinase JAK2 in Human [ChEMBL: CHEMBL2971] [GtoPdb: 2048] [UniProtKB: O60674]
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  • Janus kinase 3/Tyrosine-protein kinase JAK3 in Human [ChEMBL: CHEMBL2148] [GtoPdb: 2049] [UniProtKB: P52333]
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  • tyrosine kinase 2/Tyrosine-protein kinase TYK2 in Human [ChEMBL: CHEMBL3553] [GtoPdb: 2269] [UniProtKB: P29597]
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  • kinase insert domain receptor/Vascular endothelial growth factor receptor 2 in Human [ChEMBL: CHEMBL279] [GtoPdb: 1813] [UniProtKB: P35968]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Janus kinase 2/Janus kinase 1/tyrosine kinase 2/JAK1/JAK2/TYK2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3301390] [GtoPdb: 204820472269] [UniProtKB: O60674P23458P29597]
GtoPdb - - 6.1 pIC50 803 nM IC50 J. Med. Chem. (2018) 61: 1130-1152 [PMID:29298069]
ChEMBL Inhibition of JAK1/JAK2/TYK2 in CD14+ human whole blood assessed as reduction in IL-6 induced STAT1 phosphorylation preincubated for 45 mins followed by IL-6 addition measured after 15 mins by flow cytometric analysis B 6.79 pIC50 163 nM IC50 J Med Chem (2018) 61: 1130-1152 [PMID:29298069]
GtoPdb - - 7.54 pIC50 29 nM IC50 J. Med. Chem. (2018) 61: 1130-1152 [PMID:29298069]
Janus kinase 1/tyrosine kinase 2/JAK1/TYK2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3301391] [GtoPdb: 20472269] [UniProtKB: P23458P29597]
ChEMBL Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IL-10 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-10 addition measured after 15 mins by flow cytometric analysis B 5.6 pIC50 2511 nM IC50 J Med Chem (2018) 61: 1130-1152 [PMID:29298069]
ChEMBL Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IFNalpha induced STAT3 phosphorylation preincubated for 45 mins followed by IFNalpha addition measured after 15 mins by flow cytometric analysis B 6.72 pIC50 189 nM IC50 J Med Chem (2018) 61: 1130-1152 [PMID:29298069]
GtoPdb - - 7.54 pIC50 29 nM IC50 J. Med. Chem. (2018) 61: 1130-1152 [PMID:29298069]
Janus kinase 2/Janus kinase 1/JAK2/JAK1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3038492] [GtoPdb: 20482047] [UniProtKB: O60674P23458]
GtoPdb - - 6.1 pIC50 803 nM IC50 J. Med. Chem. (2018) 61: 1130-1152 [PMID:29298069]
ChEMBL Inhibition of JAK2/JAK1 in human whole blood assessed as reduction in IL-27 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-27 addition measured after 15 mins by flow cytometric analysis B 6.57 pIC50 271 nM IC50 J Med Chem (2018) 61: 1130-1152 [PMID:29298069]
ChEMBL Inhibition of JAK2/JAK1 in human whole blood assessed as reduction in IFNgamma induced STAT1 phosphorylation preincubated for 45 mins followed by IFNgamma addition measured after 15 mins by flow cytometric analysis B 6.79 pIC50 163 nM IC50 J Med Chem (2018) 61: 1130-1152 [PMID:29298069]
GtoPdb - - 7.54 pIC50 29 nM IC50 J. Med. Chem. (2018) 61: 1130-1152 [PMID:29298069]
Janus kinase 2/tyrosine kinase 2/JAK2/TYK2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3301392] [GtoPdb: 20482269] [UniProtKB: O60674P29597]
ChEMBL Inhibition of JAK2/TYK2 in human whole blood assessed as reduction in IL-23 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-23 addition measured after 15 mins by flow cytometric analysis B 4.78 pIC50 >16452 nM IC50 J Med Chem (2018) 61: 1130-1152 [PMID:29298069]
ChEMBL Inhibition of JAK2/TYK2 in human whole blood assessed as reduction in IL-12 induced STAT4 phosphorylation preincubated for 45 mins followed by IL-12 addition measured after 15 mins by flow cytometric analysis B 4.86 pIC50 13673 nM IC50 J Med Chem (2018) 61: 1130-1152 [PMID:29298069]
GtoPdb - - 6.1 pIC50 803 nM IC50 J. Med. Chem. (2018) 61: 1130-1152 [PMID:29298069]
Janus kinase 1/Janus kinase 3/JAK3/JAK1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3038491] [GtoPdb: 20472049] [UniProtKB: P23458P52333]
ChEMBL Inhibition of JAK1/JAK3 in CD8+ human whole blood assessed as reduction in IL-15 induced STAT5 phosphorylation preincubated for 45 mins followed by IL-15 addition measured after 15 mins by flow cytometric analysis B 5.89 pIC50 1298 nM IC50 J Med Chem (2018) 61: 1130-1152 [PMID:29298069]
ChEMBL Inhibition of JAK1/JAK3 in human whole blood assessed as reduction in IL-21 induced STAT3 phosphorylation preincubated for 45 mins followed by IL-21 addition measured after 15 mins by flow cytometric analysis B 6.29 pIC50 511 nM IC50 J Med Chem (2018) 61: 1130-1152 [PMID:29298069]
GtoPdb - - 7.54 pIC50 29 nM IC50 J. Med. Chem. (2018) 61: 1130-1152 [PMID:29298069]
Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397]
ChEMBL Inhibition of MAOA (unknown origin) B 5.22 pIC50 6000 nM IC50 J Med Chem (2018) 61: 1130-1152 [PMID:29298069]
Janus kinase 1/Tyrosine-protein kinase JAK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2835] [GtoPdb: 2047] [UniProtKB: P23458]
ChEMBL Enzyme Assay: Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovine serum albumin (BSA), 0.0005% Tween 20, 1 mM ATP and 1 μM peptide substrate. The JAK1 and TYK2 assays contained 1 μM of the IRStide peptide (5FAMKKSRGDYMTMQID) and the JAK2 and JAK3 assays contained 1 μM of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition of 20 nM JAK1, 1 nM JAK2, 1 nM JAK3 or 1 nM TYK2 enzyme and were incubated at room temperature for three hours for JAK1, 60 minutes for JAK2, 75 minutes for JAK3 or 135 minutes for TYK2. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20%-30% phosphorylation. The assays were stopped with a final concentration of 10 mM EDTA, 0.1% Coating Reagent and 100 mM HEPES, pH=7.4. B 7.54 pIC50 29 nM IC50 US-9035074-B2. Pyrrolo[2,3-D]pyrimidine derivatives (2015)
ChEMBL Inhibition of recombinant human JAK1 using 5'FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by mobility shift assay B 7.54 pIC50 29 nM IC50 J Med Chem (2018) 61: 1130-1152 [PMID:29298069]
GtoPdb - - 7.54 pIC50 29 nM IC50 J. Med. Chem. (2018) 61: 1130-1152 [PMID:29298069]
Janus kinase 2/Tyrosine-protein kinase JAK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2971] [GtoPdb: 2048] [UniProtKB: O60674]
ChEMBL Enzyme Assay: Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovine serum albumin (BSA), 0.0005% Tween 20, 1 mM ATP and 1 μM peptide substrate. The JAK1 and TYK2 assays contained 1 μM of the IRStide peptide (5FAMKKSRGDYMTMQID) and the JAK2 and JAK3 assays contained 1 μM of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition of 20 nM JAK1, 1 nM JAK2, 1 nM JAK3 or 1 nM TYK2 enzyme and were incubated at room temperature for three hours for JAK1, 60 minutes for JAK2, 75 minutes for JAK3 or 135 minutes for TYK2. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20%-30% phosphorylation. The assays were stopped with a final concentration of 10 mM EDTA, 0.1% Coating Reagent and 100 mM HEPES, pH=7.4. B 6.1 pIC50 803 nM IC50 US-9035074-B2. Pyrrolo[2,3-D]pyrimidine derivatives (2015)
GtoPdb - - 6.1 pIC50 803 nM IC50 J. Med. Chem. (2018) 61: 1130-1152 [PMID:29298069]
Janus kinase 3/Tyrosine-protein kinase JAK3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2148] [GtoPdb: 2049] [UniProtKB: P52333]
ChEMBL Enzyme Assay: Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovine serum albumin (BSA), 0.0005% Tween 20, 1 mM ATP and 1 μM peptide substrate. The JAK1 and TYK2 assays contained 1 μM of the IRStide peptide (5FAMKKSRGDYMTMQID) and the JAK2 and JAK3 assays contained 1 μM of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition of 20 nM JAK1, 1 nM JAK2, 1 nM JAK3 or 1 nM TYK2 enzyme and were incubated at room temperature for three hours for JAK1, 60 minutes for JAK2, 75 minutes for JAK3 or 135 minutes for TYK2. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20%-30% phosphorylation. The assays were stopped with a final concentration of 10 mM EDTA, 0.1% Coating Reagent and 100 mM HEPES, pH=7.4. B 5 pIC50 >10000 nM IC50 US-9035074-B2. Pyrrolo[2,3-D]pyrimidine derivatives (2015)
ChEMBL Inhibition of recombinant human JAK3 using FITC-KGGEEEEYFELVKK as substrate in presence of 1 mM ATP by mobility shift assay B 5 pIC50 >10000 nM IC50 J Med Chem (2018) 61: 1130-1152 [PMID:29298069]
ChEMBL Inhibition of recombinant human JAK3 using FITC-KGGEEEEYFELVKK as substrate in presence of 4 uM ATP by mobility shift assay B 6.22 pIC50 605 nM IC50 J Med Chem (2018) 61: 1130-1152 [PMID:29298069]
tyrosine kinase 2/Tyrosine-protein kinase TYK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3553] [GtoPdb: 2269] [UniProtKB: P29597]
ChEMBL Enzyme Assay: Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovine serum albumin (BSA), 0.0005% Tween 20, 1 mM ATP and 1 μM peptide substrate. The JAK1 and TYK2 assays contained 1 μM of the IRStide peptide (5FAMKKSRGDYMTMQID) and the JAK2 and JAK3 assays contained 1 μM of the JAKtide peptide (FITC-KGGEEEEYFELVKK). The assays were initiated by the addition of 20 nM JAK1, 1 nM JAK2, 1 nM JAK3 or 1 nM TYK2 enzyme and were incubated at room temperature for three hours for JAK1, 60 minutes for JAK2, 75 minutes for JAK3 or 135 minutes for TYK2. Enzyme concentrations and incubation times were optimized for each new enzyme preps and were modified slightly over time to ensure 20%-30% phosphorylation. The assays were stopped with a final concentration of 10 mM EDTA, 0.1% Coating Reagent and 100 mM HEPES, pH=7.4. B 5.9 pIC50 1250 nM IC50 US-9035074-B2. Pyrrolo[2,3-D]pyrimidine derivatives (2015)
kinase insert domain receptor/Vascular endothelial growth factor receptor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL279] [GtoPdb: 1813] [UniProtKB: P35968]
ChEMBL Inhibition of recombinant human VEGFR2 expressed in Sf9 cells B 5.92 pIC50 1200 nM IC50 J Med Chem (2018) 61: 1130-1152 [PMID:29298069]

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, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños 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]