gandotinib [Ligand Id: 7909] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL2107823 (Gandotinib, Ly-2784544, Ly2784544, LY-2784544, LY2784544) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| aurora kinase A/Aurora kinase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4722] [GtoPdb: 1936] [UniProtKB: O14965] | ||||||||
| ChEMBL | Further kinetic evaluation of compounds supplied by Sanofi against AuroraA within a BIAcore3000 instrument | B | 7.82 | pKd | 15.05 | nM | Kd | K4DD drug target binding kinetics data |
| LIM domain kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3836] [GtoPdb: 2054] [UniProtKB: P53667] | ||||||||
| ChEMBL | Inhibition of recombinant LIMK1(unknown origin) expressed in HEK293 cells using NanoGlo substrate incubated for 2 hrs followed by substrate addition by NanoBRET assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2022) 65: 13705-13713 [PMID:36205722] |
| ChEMBL | Inhibition of PAK mediated recombinant LIMK1 phosphorylation (330 to 637 residues) (unknown origin) incubated for 45 mins followed by ATP addition measured after 105 mins by RapidFire Mass Spectrometry kinase assay | B | 5.98 | pIC50 | 1047.13 | nM | IC50 | J Med Chem (2022) 65: 13705-13713 [PMID:36205722] |
| ChEMBL | Inhibition of recombinant LIMK1 (330 to 637 residues) (unknown origin) incubated for 45 mins followed by ATP addition measured after 105 mins by RapidFire Mass Spectrometry kinase assay | B | 6.4 | pIC50 | 398.11 | nM | IC50 | J Med Chem (2022) 65: 13705-13713 [PMID:36205722] |
| LIM domain kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5932] [GtoPdb: 2055] [UniProtKB: P53671] | ||||||||
| ChEMBL | Inhibition of recombinant LIMK2 (347 to 659 residues) (unknown origin) incubated for 45 mins followed by ATP addition measured after 180 mins by RapidFire Mass Spectrometry kinase assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2022) 65: 13705-13713 [PMID:36205722] |
| ChEMBL | Inhibition of recombinant LIMK2(unknown origin) expressed in HEK293 cells using NanoGlo substrate incubated for 2 hrs followed by substrate addition by NanoBRET assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2022) 65: 13705-13713 [PMID:36205722] |
| ChEMBL | Inhibition of PAK mediated recombinant LIMK2 phosphorylation (347 to 659 residues) (unknown origin) incubated for 45 mins followed by ATP addition measured after 180 mins by RapidFire Mass Spectrometry kinase assay | B | 5.22 | pIC50 | 6025.6 | nM | IC50 | J Med Chem (2022) 65: 13705-13713 [PMID:36205722] |
| tyrosine kinase 2/Non-receptor tyrosine-protein kinase TYK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3553] [GtoPdb: 2269] [UniProtKB: P29597] | ||||||||
| ChEMBL | Binding affinity to recombinant human TYK2 kinase domain by fluorescence polarization assay | B | 7.8 | pKd | 16 | nM | Kd | J Med Chem (2024) 67: 10012-10024 [PMID:38843875] |
| ChEMBL | Inhibition of recombinant human TYK2 assessed as inhibition of substrate phosphorylation measured every 5 mins for 30 mins by LANCE Ultra kinase assay | B | 7.04 | pIC50 | 92 | nM | IC50 | J Med Chem (2024) 67: 10012-10024 [PMID:38843875] |
| ChEMBL | Inhibition of TYK2 (unknown origin) | B | 7.36 | pIC50 | 44 | nM | IC50 | Eur J Med Chem (2020) 192: 112155-112155 [PMID:32120325] |
| Janus kinase 1/Tyrosine-protein kinase JAK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2835] [GtoPdb: 2047] [UniProtKB: P23458] | ||||||||
| ChEMBL | Binding affinity to recombinant human JAK1 kinase domain by fluorescence polarization assay | B | 8.09 | pKd | 8.2 | nM | Kd | J Med Chem (2024) 67: 10012-10024 [PMID:38843875] |
| ChEMBL | Inhibition of recombinant human JAK1 assessed as inhibition of substrate phosphorylation measured every 5 mins for 30 mins by LANCE Ultra kinase assay | B | 8.14 | pIC50 | 7.3 | nM | IC50 | J Med Chem (2024) 67: 10012-10024 [PMID:38843875] |
| Janus kinase 2/Tyrosine-protein kinase JAK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2971] [GtoPdb: 2048] [UniProtKB: O60674] | ||||||||
| ChEMBL | Binding affinity to recombinant human JAK2 kinase domain by fluorescence polarization assay | B | 7.96 | pKd | 11 | nM | Kd | J Med Chem (2024) 67: 10012-10024 [PMID:38843875] |
| ChEMBL | Binding affinity to recombinant human JAK2 kinase domain (840 to 1132 residues) assessed as dissociation constant by fluorescence polarization measurement combined ITC analysis | B | 7.96 | pKd | 11 | nM | Kd | J Med Chem (2024) 67: 10012-10024 [PMID:38843875] |
| ChEMBL | Inhibition of wild type JAK2 (unknown origin) | B | 5.65 | pIC50 | 2260 | nM | IC50 | Eur J Med Chem (2023) 261: 115848-115848 [PMID:37793326] |
| ChEMBL | Inhibition of JAK2-mediated erythropoietin-induced STAT5 phosphorylation in human TF-1 cells pretreated for 60 mins followed by erythropoietin addition and measured after 15 mins by pacific orange/pacific blue NHS esters based Beckmann coulter flow cytometer | B | 6.81 | pIC50 | 155 | nM | IC50 | J Med Chem (2024) 67: 10012-10024 [PMID:38843875] |
| ChEMBL | Inhibition of JAK2 (unknown origin) | B | 7.17 | pIC50 | 68 | nM | IC50 | Eur J Med Chem (2023) 261: 115848-115848 [PMID:37793326] |
| ChEMBL | Inhibition of JAK2 V617F mutant (unknown origin) | B | 7.26 | pIC50 | 55 | nM | IC50 | Eur J Med Chem (2023) 261: 115848-115848 [PMID:37793326] |
| ChEMBL | Inhibition of recombinant human JAK2 assessed as inhibition of substrate phosphorylation measured every 5 mins for 30 mins by LANCE Ultra kinase assay | B | 8.21 | pIC50 | 6.2 | nM | IC50 | J Med Chem (2024) 67: 10012-10024 [PMID:38843875] |
| GtoPdb | - | - | 8.4 | pIC50 | 4 | nM | IC50 | Blood Cancer J (2013) 3: e109 [PMID:23584399] |
| ChEMBL | Inhibition of JAK 2 (unknown origin) | B | 8.52 | pIC50 | 3 | nM | IC50 | J Med Chem (2022) 65: 893-921 [PMID:33539089] |
| ChEMBL | Inhibition of JAK2 (unknown origin) by Lanthascreen kinase assay | B | 8.52 | pIC50 | 3 | nM | IC50 | Eur J Med Chem (2020) 192: 112155-112155 [PMID:32120325] |
| Janus kinase 2/Tyrosine-protein kinase JAK2 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1649049] [GtoPdb: 2048] [UniProtKB: Q62120] | ||||||||
| ChEMBL | Inhibition of IL-3 stimulated wild type JAK2-mediated signalling in mouse BaF3 cells preincubated with compound for 5 hrs followed by IL-3 stimulation and measured after 20 mins by Alphascreen SureFire assay | B | 5.93 | pIC50 | 1183 | nM | IC50 | Eur J Med Chem (2020) 192: 112155-112155 [PMID:32120325] |
| Janus kinase 3/Tyrosine-protein kinase JAK3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2148] [GtoPdb: 2049] [UniProtKB: P52333] | ||||||||
| ChEMBL | Binding affinity to recombinant human JAK3 kinase domain by fluorescence polarization assay | B | 7.89 | pKd | 13 | nM | Kd | J Med Chem (2024) 67: 10012-10024 [PMID:38843875] |
| ChEMBL | Inhibition of recombinant human JAK3 assessed as inhibition of substrate phosphorylation measured every 5 mins for 30 mins by LANCE Ultra kinase assay | B | 6.7 | pIC50 | 199 | nM | IC50 | J Med Chem (2024) 67: 10012-10024 [PMID:38843875] |
| ChEMBL | Inhibition of JAK3 (unknown origin) by Lanthascreen kinase assay | B | 7.32 | pIC50 | 48 | nM | IC50 | Eur J Med Chem (2020) 192: 112155-112155 [PMID:32120325] |
| GtoPdb | - | - | 7.32 | pIC50 | 48 | nM | IC50 | Blood Cancer J (2013) 3: e109 [PMID:23584399] |
ChEMBL data shown on this page come from version 36:
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]
