NVP-TAE 226 [Ligand Id: 9382] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL458997 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| ALK receptor tyrosine kinase/ALK tyrosine kinase receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4247] [GtoPdb: 1839] [UniProtKB: Q9UM73] | ||||||||
| ChEMBL | Inhibition of ALK by cell based assay | B | 7.3 | pIC50 | 50 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 463-466 [PMID:21074994] |
| ChEMBL | Inhibition of ALK | B | 8.3 | pIC50 | 5 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 463-466 [PMID:21074994] |
| aurora kinase A/Aurora kinase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4722] [GtoPdb: 1936] [UniProtKB: O14965] | ||||||||
| ChEMBL | Inhibition of human AURKA | B | 8.4 | pIC50 | 4 | nM | IC50 | Eur J Med Chem (2016) 124: 896-905 [PMID:27668758] |
| epidermal growth factor receptor/Epidermal growth factor receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533] | ||||||||
| ChEMBL | Inhibition of GST-tagged recombinant HER1 (unknown origin) expressed in baculovirus expression system incubated for 15-45 mins in presence of [gamma32P]-ATP by radiometric assay | B | 6.26 | pIC50 | 550 | nM | IC50 | J Med Chem (2020) 63: 12707-12724 [PMID:33119295] |
| fibroblast growth factor receptor 1/Fibroblast growth factor receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3650] [GtoPdb: 1808] [UniProtKB: P11362] | ||||||||
| ChEMBL | Inhibition of GST-tagged recombinant FGFR1 (unknown origin) expressed in baculovirus expression system incubated for 15-45 mins in presence of [gamma32P]-ATP by radiometric assay | B | 6.12 | pIC50 | 750 | nM | IC50 | J Med Chem (2020) 63: 12707-12724 [PMID:33119295] |
| protein tyrosine kinase 2/Focal adhesion kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2695] [GtoPdb: 2180] [UniProtKB: Q05397] | ||||||||
| ChEMBL | Inhibition of FAK (unknown origin) by FRET-based Z'-Lyte assay | B | 5.28 | pIC50 | 5200 | nM | IC50 | Eur J Med Chem (2021) 222: 113569-113569 [PMID:34111829] |
| ChEMBL | Inhibition of human recombinant full length FAK incubated for 40 mins in presence of Mg/ATP mix by [gamma p33]-ATP based scintillation counting method | B | 7.44 | pIC50 | 36 | nM | IC50 | Bioorg Med Chem Lett (2021) 54: 128433-128433 [PMID:34757216] |
| ChEMBL | Inhibition of FAK (unknown origin) | B | 8.08 | pIC50 | 8.3 | nM | IC50 | Eur J Med Chem (2023) 250: 115192-115192 [PMID:36801517] |
| ChEMBL | Inhibition of pre-activated recombinant full length FAK (unknown origin) using ULight labeled poly(Glu/Tyr) as substrate after 1.6 hrs by TR-FRET assay | B | 8.15 | pIC50 | 7 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 4552-4556 [PMID:23845217] |
| ChEMBL | Inhibition of FAK (unknown origin) using ULight-poly GT as substrate after 1.6 hrs by TR-FRET assay | B | 8.15 | pIC50 | 7 | nM | IC50 | J Med Chem (2015) 58: 237-251 [PMID:25180654] |
| ChEMBL | Inhibition of FAK (unknown origin) using Ulight-poly(Glu:Tyr)(4:1) as substrate after 1.6 hrs by TR-FRET assay | B | 8.15 | pIC50 | 7 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 1727-1730 [PMID:28284808] |
| ChEMBL | Inhibition of N-terminal DYKDDDD-tagged truncated FAK (376 to 1052 residues) (unknown origin) expressed in Sf21 insect cells using TK as substrate in presence of ATP measured after 50 mins by HTRF assay | B | 8.16 | pIC50 | 6.9 | nM | IC50 | Eur J Med Chem (2022) 237: 114373-114373 [PMID:35486993] |
| ChEMBL | Inhibition of human recombinant N-terminal His-tagged FAK (393 to 698 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) peptide substrate incubated for 60 mins by ADP-Glo assay | B | 8.17 | pIC50 | 6.79 | nM | IC50 | Eur J Med Chem (2019) 172: 154-162 [PMID:30978560] |
| ChEMBL | Inhibition of recombinant human N-terminal His-tagged FAK (393 to 698 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) peptide as substrate measured after 60 mins by ADP-Glo kinase assay | B | 8.17 | pIC50 | 6.79 | nM | IC50 | Bioorg Med Chem (2017) 25: 3989-3996 [PMID:28576633] |
| ChEMBL | Inhibition of recombinant human N-terminal His-tagged FAK cytoplasmic domain (393 to 698 residues) expressed in baculovirus infected sf9 cells assessed as reduction in autophosphorylation after 60 mins by ADP-Glo kinase assay | B | 8.17 | pIC50 | 6.79 | nM | IC50 | Bioorg Med Chem (2017) 25: 6313-6321 [PMID:29102081] |
| ChEMBL | Inhibition of N-terminal GST-fused human truncated FAK (376 to 1052 residues) expressed in baculovirus expression system using tyrosine kinase peptide as substrate measured after 50 mins in presence of ATP by homogenous time resolved flourescence assay | B | 8.2 | pIC50 | 6.3 | nM | IC50 | Eur J Med Chem (2020) 188: 112024-112024 [PMID:31923858] |
| ChEMBL | Inhibition of FAK (unknown origin) incubated for 50 mins in presence of substrate/ATP by HTRF assay | B | 8.2 | pIC50 | 6.3 | nM | IC50 | RSC Med Chem (2023) 14: 2301-2314 [PMID:37974962] |
| ChEMBL | Inhibition of recombinant N-terminal GST-tagged human FAK (327 to 1052 residues) expressed in baculovirus expression system using TK as substrate incubated for 50 mins in presence of ATP and measured after 1 hr by HTRF assay | B | 8.21 | pIC50 | 6.2 | nM | IC50 | Eur J Med Chem (2019) 183: 111716-111716 [PMID:31550660] |
| ChEMBL | Inhibition of recombinant human N-terminal His-tagged FAK (393 to 698 residues) expressed in baculovirus infected Sf9 insect cells using Poly (4:1 Glu, Tyr) as substrate measured after 1 hr by ADP-glo luminescence assay | B | 8.24 | pIC50 | 5.8 | nM | IC50 | J Med Chem (2020) 63: 12707-12724 [PMID:33119295] |
| ChEMBL | Inhibition of FAK (unknown origin) | B | 8.26 | pIC50 | 5.5 | nM | IC50 | Med Chem Res (2013) null: 1-22 |
| ChEMBL | Inhibition of FAK (unknown origin) | B | 8.26 | pIC50 | 5.5 | nM | IC50 | RSC Med Chem (2023) 14: 2301-2314 [PMID:37974962] |
| ChEMBL | Inhibition of FAK (unknown origin) | B | 8.26 | pIC50 | 5.5 | nM | IC50 | Eur J Med Chem (2019) 177: 32-46 [PMID:31129452] |
| ChEMBL | Inhibition of Focal adhesion kinase (unknown origin) | B | 8.26 | pIC50 | 5.5 | nM | IC50 | ACS Med Chem Lett (2021) 12: 30-38 [PMID:33488961] |
| ChEMBL | Inhibition of recombinant FAK domain (unknown origin) | B | 8.26 | pIC50 | 5.5 | nM | IC50 | Eur J Med Chem (2022) 237: 114373-114373 [PMID:35486993] |
| GtoPdb | - | - | 8.26 | pIC50 | 5.5 | nM | IC50 |
Mol Carcinog (2007) 46: 488-96 [PMID:17219439]; Mol Cancer Ther (2007) 6: 1357-67 [PMID:17431114] |
| ChEMBL | Inhibition of GST-tagged recombinant FAK (unknown origin) expressed in baculovirus expression system incubated for 15-45 mins in presence of [gamma32P]-ATP by radiometric assay | B | 8.27 | pIC50 | 5.4 | nM | IC50 | J Med Chem (2020) 63: 12707-12724 [PMID:33119295] |
| ChEMBL | Inhibition of recombinant human FAK (393 to 698 residues) using poly (4:1 Glu, Tyr) peptide as substrate incubated for 60 mins in presence of ATP by ADP-Glo reagent based luminescent assay | B | 8.35 | pIC50 | 4.5 | nM | IC50 | Eur J Med Chem (2022) 241: 114607-114607 [PMID:35872546] |
| Insulin-like growth factor I receptor/Insulin-like growth factor 1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1957] [GtoPdb: 1801] [UniProtKB: P08069] | ||||||||
| ChEMBL | Inhibition of IGF1R (unknown origin) | B | 6.8 | pIC50 | 160 | nM | IC50 | ACS Med Chem Lett (2021) 12: 30-38 [PMID:33488961] |
| GtoPdb | In vitro kinase assay with recombinant kinase domains and peptide substrates. | - | 6.85 | pIC50 | ~140 | nM | IC50 | Mol Cancer Ther (2007) 6: 1357-67 [PMID:17431114] |
| ChEMBL | Inhibition of GST-tagged recombinant IGFR1 (unknown origin) expressed in baculovirus expression system incubated for 15-45 mins in presence of [gamma32P]-ATP by radiometric assay | B | 7.09 | pIC50 | 81 | nM | IC50 | J Med Chem (2020) 63: 12707-12724 [PMID:33119295] |
| Insulin receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1981] [GtoPdb: 1800] [UniProtKB: P06213] | ||||||||
| ChEMBL | Inhibition of GST-tagged recombinant INSR (unknown origin) expressed in baculovirus expression system incubated for 15-45 mins in presence of [gamma32P]-ATP by radiometric assay | B | 7.37 | pIC50 | 43 | nM | IC50 | J Med Chem (2020) 63: 12707-12724 [PMID:33119295] |
| ChEMBL | Inhibition of recombinant insulin receptor (unknown origin) | B | 7.4 | pIC50 | 40 | nM | IC50 | J Med Chem (2015) 58: 237-251 [PMID:25180654] |
| GtoPdb | In vitro kinase assay with recombinant kinase domains and peptide substrates. | - | 7.59 | pIC50 | 26 | nM | IC50 | Mol Cancer Ther (2007) 6: 1357-67 [PMID:17431114] |
| ChEMBL | Inhibition of insulin receptor | B | 7.6 | pIC50 | 25 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 463-466 [PMID:21074994] |
| mitogen-activated protein kinase 10/Mitogen-activated protein kinase 10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2637] [GtoPdb: 1498] [UniProtKB: P53779] | ||||||||
| ChEMBL | Inhibition of JNK3 (unknown origin) using biotinylated ATF2 by HTRF method | B | 7.92 | pIC50 | 12 | nM | IC50 | Medchemcomm (2012) 3: 238-243 |
| mitogen-activated protein kinase 9/Mitogen-activated protein kinase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4179] [GtoPdb: 1497] [UniProtKB: P45984] | ||||||||
| ChEMBL | Inhibition of JNK2 (unknown origin) using biotinylated ATF2 by HTRF method | B | 7.38 | pIC50 | 42 | nM | IC50 | Medchemcomm (2012) 3: 238-243 |
| platelet derived growth factor receptor beta/Platelet-derived growth factor receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1913] [GtoPdb: 1804] [UniProtKB: P09619] | ||||||||
| ChEMBL | Inhibition of GST-tagged recombinant PDGFRbeta (unknown origin) expressed in baculovirus expression system incubated for 15-45 mins in presence of [gamma32P]-ATP by radiometric assay | B | 5.59 | pIC50 | 2600 | nM | IC50 | J Med Chem (2020) 63: 12707-12724 [PMID:33119295] |
| erb-b2 receptor tyrosine kinase 2/Receptor tyrosine-protein kinase erbB-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1824] [GtoPdb: 2019] [UniProtKB: P04626] | ||||||||
| ChEMBL | Inhibition of GST-tagged recombinant HER2 (unknown origin) expressed in baculovirus expression system incubated for 15-45 mins in presence of [gamma32P]-ATP by radiometric assay | B | 6.15 | pIC50 | 710 | nM | IC50 | J Med Chem (2020) 63: 12707-12724 [PMID:33119295] |
| unc-51 like autophagy activating kinase 1/Serine/threonine-protein kinase ULK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6006] [GtoPdb: 2271] [UniProtKB: O75385] | ||||||||
| ChEMBL | ULK1 inhibition assay: Gamma-32P assays to measure ULK1 kinase activity were performed as previously described. Briefly, Flag ULK1 was transfected into HEK293T cells and 20 hours later treated as indicated. The immmunoprecipitate was washed in IP buffer 3 times, and washed in kinase buffer (25 mM MOPS, pH 7.5, 1 mM EGTA, 0.1 mM Na3VO4, 15 mM MgCl2,). Hot and cold ATP were added at a 100 μM final concentration. As substrates, GST or the recombinant protein GST-Atg101 purified from E. coli were used at 1 μg for each reaction. Reactions were boiled, run out on SDS page gel. The gel was dried, and imaged using PhosphoImager software. For cold assays to asses ULK1, Flag ULK1 which was transiently overexpressed and immunoprecipited from HEK293T cells. Reactions were then run out on SDS page gel, transferred to PVDF membrane and blotted for total levelsFluorescence MicroscopyVps34flox/flox MEFs were reconstituted with Flag-VPS34 and either p40FX or GFP-DFCP1. 48 hours post infection with adenovirus expressing Cre recombinase (MOI of 100), cells were plated on glass coverslips at a density of 3×105 cells per well in 6-well tissue culture plates. 18 h later, cells were fixed in 4% PFA in PBS for 10 minutes and permeabilized in 0.2% Triton in PBS for 10 minutes. The following primary antibodies were used: mouse anti-Myc epitope and LC3B XP antibody (2276 and 3868 respectively, Cell Signaling Technologies). Secondary antibodies were anti-rabbit Alexa488 and anti-mouse Alexa594 (Molecular Probes, 1:1000. Cells were then fixed and counter stained with DAPI. Coverslips were mounted in FluoromountG (SouthernBiothech). Images were acquired on a Zeiss Axioplan2 epifluorescence microscope coupled to the Openlab software. Confocal images of mitotracker were taken on Zeiss LSM 710 laser scanning confocal microscope. 10 random fields per condition were acquired using the 100× objective and representative images shown. Glass coverslips were mounted directly on plate with FluoromountG and images taken on Zeiss Axioplan2 epifluorescence microscope. | B | 6.7 | pIC50 | <200 | nM | IC50 | US-10266549-B2. ULK1 inhibitors and methods using same (2019) |
| ChEMBL | ULK1 inhibition assay: ULK1 inhibition assay is a screening assay to identify compounds that inhibit kinase activity of ULK1 using the ULKtide peptide. In some embodiments, the method contacting a candidate compound, ULK1 and a recombinant ULKtide peptide (or variant thereof); detecting phosphorylation of the recombinant peptide in the presence and absence of the candidate compound; and identifying a compound that inhibits kinase activity of ULK1 if phosphorylation of the recombinant peptide is decreased in the presence of the candidate compound compared to in the absence of the candidate compound. | B | 6.7 | pIC50 | <200 | nM | IC50 | US-10774092-B2. ULK1 inhibitors and methods using same (2020) |
| protein tyrosine kinase 2 beta in Human [GtoPdb: 2181] [UniProtKB: Q14289] | ||||||||
| GtoPdb | - | - | 8.7 | pIC50 | 2 | nM | IC50 | Mol Cancer Ther (2007) 6: 1357-67 [PMID:17431114] |
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]
