spebrutinib [Ligand Id: 7837] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL3301625 (AVL-292, Btk inhibitor cc-292, CC-292, Spebrutinib) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Early activation antigen CD69 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3308911] [UniProtKB: Q07108] | ||||||||
| ChEMBL | Inhibition of CD69 in human whole blood preincubated for 30 mins followed by anti-human IgD stimulation and measured after 18 to 22 hrs by flow cytometry | B | 5.51 | pIC50 | 3100 | nM | IC50 | J Med Chem (2022) 65: 1206-1224 [PMID:34734694] |
| epidermal growth factor receptor/Epidermal growth factor receptor erbB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533] | ||||||||
| ChEMBL | Inhibition of recombinant human N-terminal GST-tagged wild-type EGFR (695 to end residues) expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as substrate pretreated for 60 mins followed by substrate addition after 1 hr by ADP-Glo luminescence assay | B | 6.35 | pIC50 | 442 | nM | IC50 | Eur J Med Chem (2017) 131: 107-125 [PMID:28315597] |
| BMX non-receptor tyrosine kinase/Tyrosine-protein kinase BMX in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3834] [GtoPdb: 1942] [UniProtKB: P51813] | ||||||||
| ChEMBL | Inhibition of full length recombinant human N-terminal GST-tagged BMX expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as substrate pretreated for 60 mins followed by substrate addition after 1 hr by ADP-Glo luminescence assay | B | 5.57 | pIC50 | 2665 | nM | IC50 | Eur J Med Chem (2017) 131: 107-125 [PMID:28315597] |
| Bruton tyrosine kinase/Tyrosine-protein kinase BTK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5251] [GtoPdb: 1948] [UniProtKB: Q06187] | ||||||||
| ChEMBL | Reversible inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as substrate pretreated for 2 to 60 mins followed by substrate addition after 1 hr by ADP-Glo luminescence assay | B | 7.68 | pKi | 20.7 | nM | Ki | Eur J Med Chem (2017) 131: 107-125 [PMID:28315597] |
| ChEMBL | Inhibition of BTK phosphorylation in human whole blood assessed as reduction in BTK phosphorylation incubated for 30 mins | B | 7.4 | pIC50 | 40 | nM | IC50 | J Med Chem (2022) 65: 1206-1224 [PMID:34734694] |
| ChEMBL | Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus expression system using Ulight-Poly GT as substrate incubated for 2 hrs by Lanthascreen TR-FRET assay | B | 8.01 | pIC50 | 9.8 | nM | IC50 | Bioorg Med Chem (2020) 28: 115236-115236 [PMID:31843459] |
| ChEMBL | Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as substrate pretreated for 60 mins followed by substrate addition after 1 hr by ADP-Glo luminescence assay | B | 8.05 | pIC50 | 9 | nM | IC50 | Eur J Med Chem (2017) 131: 107-125 [PMID:28315597] |
| ChEMBL | Inhibition of BTK (unknown origin) | B | 8.34 | pIC50 | 4.61 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 1954-1957 [PMID:26976214] |
| ChEMBL | Inhibition of human recombinant full length BTK expressed in baculovirus in Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate incubated for 1 hr by ADP-Glo assay | B | 8.67 | pIC50 | 2.12 | nM | IC50 | Bioorg Med Chem (2019) 27: 4124-4142 [PMID:31395509] |
| ChEMBL | Inhibition of human BTK using fluorescein-labeled polyGAT peptide as substrate incubated for 30 mins by FRET assay | B | 9 | pIC50 | 1 | nM | IC50 | J Med Chem (2022) 65: 1206-1224 [PMID:34734694] |
| ChEMBL | Inhibition of N-terminal His-tagged full length human recombinant BTK expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) peptide substrate incubated for 60 mins by ADP-Glo luminescence assay | B | 9.14 | pIC50 | 0.72 | nM | IC50 | Eur J Med Chem (2017) 126: 444-455 [PMID:27912175] |
| ChEMBL | Inhibition of human recombinant full-length N-terminal His-tagged BTK expressed in baculovirus infected Sf9 insect cells after 60 mins by ADP-Glo kinase assay | B | 9.14 | pIC50 | 0.72 | nM | IC50 | Eur J Med Chem (2017) 135: 60-69 [PMID:28432946] |
| ChEMBL | Inhibition of human recombinant full-length N-terminal His-tagged BTK expressed in baculovirus infected Sf9 insect cells measured after 60 mins by ADP-Glo kinase assay | B | 9.14 | pIC50 | 0.72 | nM | IC50 | Bioorg Med Chem (2017) 25: 765-772 [PMID:27956037] |
| ChEMBL | Inhibition of BTK (unknown origin) | B | 9.15 | pIC50 | 0.7 | nM | IC50 | Eur J Med Chem (2018) 151: 315-326 [PMID:29631132] |
| ChEMBL | Inhibition of recombinant human N-terminal His-tagged BTK expressed in baculovirus infected sf9 cells using poly(4:1 Glu,Tyr) as substrate by ADP-Glo kinase assay | B | 9.22 | pIC50 | 0.6 | nM | IC50 | ACS Med Chem Lett (2016) 7: 1050-1055 [PMID:27994736] |
| ChEMBL | Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) peptide substrate incubated for 60 mins by ADP-Glo luminescence assay | B | 9.22 | pIC50 | 0.6 | nM | IC50 | Eur J Med Chem (2018) 143: 1847-1857 [PMID:29146136] |
| GtoPdb | - | - | 9.3 | pIC50 | <0.5 | nM | IC50 | Clinical Development of AVL - 292: A Potent, Selective Covalent Btk Inhibitor for the Treatment of B Cell Malignancies.. http://www.celgene.com |
| Janus kinase 1/Tyrosine-protein kinase JAK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2835] [GtoPdb: 2047] [UniProtKB: P23458] | ||||||||
| ChEMBL | Inhibition of recombinant human N-terminal GST-tagged JAK1 (850 to 1154 residues) expressed in baculovirus expression system using Ulight-Poly GT as substrate incubated for 2 hrs by Lanthascreen TR-FRET assay | B | 6 | pIC50 | >1000 | nM | IC50 | Bioorg Med Chem (2020) 28: 115236-115236 [PMID:31843459] |
| Janus kinase 2/Tyrosine-protein kinase JAK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2971] [GtoPdb: 2048] [UniProtKB: O60674] | ||||||||
| ChEMBL | Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using Ulight-Poly GT as substrate incubated for 2 hrs by Lanthascreen TR-FRET assay | B | 6.27 | pIC50 | 533.7 | nM | IC50 | Bioorg Med Chem (2020) 28: 115236-115236 [PMID:31843459] |
| Janus kinase 3/Tyrosine-protein kinase JAK3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2148] [GtoPdb: 2049] [UniProtKB: P52333] | ||||||||
| ChEMBL | Inhibition of recombinant human N-terminal GST-tagged JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as substrate pretreated for 60 mins followed by substrate addition after 1 hr by ADP-Glo luminescence assay | B | 5.76 | pIC50 | 1753 | nM | IC50 | Eur J Med Chem (2017) 131: 107-125 [PMID:28315597] |
| ChEMBL | Inhibition of recombinant human N-terminal GST-tagged JAK3 (781 to end residues) expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate incubated for 60 mins in presence of ATP by ADP-Glo kinase assay | B | 7.18 | pIC50 | 66.5 | nM | IC50 | Bioorg Med Chem (2020) 28: 115254-115254 [PMID:31866272] |
| ChEMBL | Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues) expressed in baculovirus infected Sf9 insect cells using Poly(4:1 Glu,Tyr) peptide substrate incubated for 60 mins by ADP-Glo luminescence assay | B | 7.65 | pIC50 | 22.5 | nM | IC50 | Eur J Med Chem (2018) 143: 1847-1857 [PMID:29146136] |
| ChEMBL | Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system using Ulight-Poly GT as substrate incubated for 2 hrs by Lanthascreen TR-FRET assay | B | 8.07 | pIC50 | 8.5 | nM | IC50 | Bioorg Med Chem (2020) 28: 115236-115236 [PMID:31843459] |
| LYN proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase Lyn in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3905] [GtoPdb: 2060] [UniProtKB: P07948] | ||||||||
| ChEMBL | Inhibition of LYN (unknown origin) | B | 5.36 | pIC50 | 4400 | nM | IC50 | Eur J Med Chem (2018) 151: 315-326 [PMID:29631132] |
| tec protein tyrosine kinase/Tyrosine-protein kinase TEC in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4246] [GtoPdb: 2238] [UniProtKB: P42680] | ||||||||
| ChEMBL | Inhibition of TEC (unknown origin) | B | 8.21 | pIC50 | 6.2 | nM | IC50 | Eur J Med Chem (2018) 151: 315-326 [PMID:29631132] |
| YES proto-oncogene 1, Src family tyrosine kinase in Human [GtoPdb: 2284] [UniProtKB: P07947] | ||||||||
| GtoPdb | - | - | 6.14 | pIC50 | 723 | nM | IC50 | Clinical Development of AVL - 292: A Potent, Selective Covalent Btk Inhibitor for the Treatment of B Cell Malignancies.. http://www.celgene.com |
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]
