niflumic acid [Ligand Id: 2439] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL63323 (Niflugel, Niflumic acid, NSC-758196, UP 83, UP-83) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| COX-1 /Cyclooxygenase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219] | ||||||||
| ChEMBL | DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid) | B | 5.97 | pIC50 | 1064 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| COX-2 /Cyclooxygenase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354] | ||||||||
| ChEMBL | DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid) | B | 6.04 | pIC50 | 918 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| dihydroorotate dehydrogenase (quinone)/Dihydroorotate dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1966] [GtoPdb: 2604] [UniProtKB: Q02127] | ||||||||
| ChEMBL | Inhibition of human recombinant DHODH | B | 4.77 | pIC50 | 17000 | nM | IC50 | ACS Med Chem Lett (2016) 7: 1112-1117 [PMID:27994748] |
| GPR35/G-protein coupled receptor 35 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293267] [GtoPdb: 102] [UniProtKB: Q9HC97] | ||||||||
| ChEMBL | Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis | B | 5.44 | pKi | 3610 | nM | Ki | J Med Chem (2013) 56: 7084-7099 [PMID:23888932] |
| ChEMBL | Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins | B | 5.89 | pIC50 | 1280 | nM | IC50 | ACS Med Chem Lett (2012) 3: 165-169 [PMID:24900447] |
| ChEMBL | Agonist activity at GPR35 receptor in human U2OS cells coexpressing Gal4-VP16-TEV assessed as beta arrestin translocation after 5 hrs by beta lactamase reporter gene assay | F | 4.4 | pEC50 | 40200 | nM | EC50 | ACS Med Chem Lett (2012) 3: 165-169 [PMID:24900447] |
| ChEMBL | Agonist activity at C-terminal beta-galactosidase tagged human recombinant GPR35 expressed in CHO cells after 90 mins by beta-arrestin recruitment assay | B | 4.51 | pEC50 | 30800 | nM | EC50 | J Med Chem (2013) 56: 7084-7099 [PMID:23888932] |
| ChEMBL | Agonist activity at human GPR35 expressed in HEK293T cells at 5 uM by EYPF-based beta-arrestin-2 luciferase reporter gene assay | B | 4.82 | pEC50 | 15000 | nM | EC50 | J Med Chem (2013) 56: 7084-7099 [PMID:23888932] |
| ChEMBL | Agonist activity at GPR35 receptor in human HT-29 cells after 10 mins by dynamic mass redistribution assay | F | 5.94 | pEC50 | 1150 | nM | EC50 | ACS Med Chem Lett (2012) 3: 165-169 [PMID:24900447] |
| ChEMBL | Agonist activity at human GPR35 by DMR assay | B | 5.95 | pEC50 | 1110 | nM | EC50 | J Med Chem (2013) 56: 7084-7099 [PMID:23888932] |
| TEA domain transcription factor 4/Transcriptional enhancer factor TEF-3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295828] [GtoPdb: 3243] [UniProtKB: Q15561] | ||||||||
| ChEMBL | Binding affinity to human His-tagged TEAD4 YBD (217 to 434 residues) expressed in Escherichia coli BL21(DE3) after 30 mins by ITC assay | B | 4.55 | pKd | 28000 | nM | Kd | J Med Chem (2018) 61: 5057-5072 [PMID:29251924] |
| ChEMBL | Binding affinity to N-terminal His6-tagged human TEAD4 YAP binding domain (217 to 434 residues) expressed in Escherichia coli C43 (DE3) cells by ITC method | B | 4.55 | pKd | 28000 | nM | Kd | J Med Chem (2020) 63: 11972-11989 [PMID:32907324] |
| ChEMBL | Binding affinity to His-tagged TEAD4 YPD domain (217 to 434 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry | B | 4.55 | pKd | 28000 | nM | Kd | Eur J Med Chem (2021) 226: 113835-113835 [PMID:34509860] |
| ChEMBL | Inhibition of CPM binding to N-terminal His6-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL cells preincubated for 10 mins followed by CPM addition and measured after 1 hr by fluorescence assay | B | 4.38 | pIC50 | 41900 | nM | IC50 | J Med Chem (2020) 63: 11972-11989 [PMID:32907324] |
| ChEMBL | Inhibition of FITC-labeled palmitate tracer binding to N-terminal His6-tagged human TEAD4 (217 to 434 residues) expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL cells preincubated for 10 mins followed by FITC-labeled palmitate tracer addition and measured after 1 hr by fluorescence assay | B | 5.23 | pIC50 | 5900 | nM | IC50 | J Med Chem (2020) 63: 11972-11989 [PMID:32907324] |
| Transcription factor SOX-18 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523228] [UniProtKB: P43680] | ||||||||
| ChEMBL | Inhibition of mouse SOX18 expressed in African green monkey COS7 cells assessed as reduction in SOX18 transcriptional activity by luciferase reporter gene assay | B | 4.3 | pIC50 | 50500 | nM | IC50 | WO-2018112545-A1. Inhibitors of sox18 protein activity for treating angiogenesis- and/or lymphangiogenesis-related diseases (null) |
| transthyretin/Transthyretin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3194] [GtoPdb: 2851] [UniProtKB: P02766] | ||||||||
| ChEMBL | Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysis | B | 6.59 | pKd | 260 | nM | Kd | J Med Chem (2015) 58: 6507-6515 [PMID:26214366] |
| ChEMBL | FP Assay: The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of TTR. The FP assay was performed in 384-well plate using very low concentration of probe 5 (1.5 nM) and TTR (50 nM) in a 10 μL assay volume. A detergent (0.01% Triton-X100) was added to the assay buffer to avoid any false positive hits from promiscuous, aggregate-based inhibitors. The assay demonstrated robust performance, with a very good dynamic range (−70-230 mP) and a Z′ factor in the range of 0.57-0.78 (FIGS. 4A and 4B). "Hits" were defined as compounds that resulted in at least 50% decrease in fluorescence polarization and demonstrated relative fluorescence between 70 and 130%. Many fluorescence quenchers and enhancers having less than 70% and greater than 130% total fluorescence relative to a control, respectively, were excluded from the hit list. 200 compounds were designated as positive hits (0.167% hit rate). | B | 6.54 | pIC50 | 289 | nM | IC50 | US-8877795-B2. Identification of stabilizers of multimeric proteins (2014) |
| KNa1.2 in Human [GtoPdb: 386] [UniProtKB: Q6UVM3] | ||||||||
| GtoPdb | - | - | 8.68 | pEC50 | 2.1 | nM | EC50 |
J Gen Physiol (2010) 135: 275-95 [PMID:20176855]; Mol Pharmacol (2012) 82: 795-802 [PMID:22851714] |
| TRPA1 in Rat [GtoPdb: 485] [UniProtKB: Q6RI86] | ||||||||
| GtoPdb | Two electrode voltage clamp | - | 3.3 | pEC50 | - | - | - | Pflugers Arch (2010) 459: 579-92 [PMID:19888597] |
| ClC-Ka in Human [GtoPdb: 700] [UniProtKB: P51800] | ||||||||
| GtoPdb | - | - | 5 | pEC50 | 10000 | nM | EC50 | |
| ClC-Kb in Human [GtoPdb: 701] [UniProtKB: P51801] | ||||||||
| GtoPdb | - | - | 5 | pEC50 | 10000 | nM | EC50 | |
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]
