bardoxolone [Ligand Id: 2717] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1093059 (Bardoxolona, Bardoxolone, CDDO, RTA 401, RTA-401, RTA401)
Created with Highcharts 10.3.3ValuesChart context menuGhrelin O-acyltransferasepKd HumanpKi HumanpIC50 HumanpEC50 Human012345Highcharts.com
  • kelch like ECH-associated protein 1/Kelch-like ECH-associated protein 1 in Human [ChEMBL: CHEMBL2069156] [GtoPdb: 2757] [UniProtKB: Q14145]
Created with Highcharts 10.3.3ValuesChart context menuKelch-like ECH-associated protein 1pKd HumanpKi HumanpIC50 HumanpEC50 Human02468Highcharts.com
  • Inducible NOS/Nitric oxide synthase, inducible in Human [ChEMBL: CHEMBL4481] [GtoPdb: 1250] [UniProtKB: P35228]
  • Inducible NOS/Nitric oxide synthase, inducible in Mouse [ChEMBL: CHEMBL3464] [GtoPdb: 1250] [UniProtKB: P29477]
Created with Highcharts 10.3.3ValuesChart context menuNitric oxide synthase, induciblepKd HumanpKi HumanpIC50 HumanpEC50 HumanpKd MousepKi MousepIC50 MousepEC50 Mouse024681012Highcharts.com
  • Peroxisome proliferator-activated receptor-γ in Human [GtoPdb: 595] [UniProtKB: P37231]
Created with Highcharts 10.3.3ValuesChart context menuPeroxisome proliferator-activated receptor-γpKd HumanpKi HumanpIC50 HumanpEC50 Human0246810Highcharts.com
DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Ghrelin O-acyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3588729] [UniProtKB: Q96T53]
ChEMBL Inhibition of human GOAT expressed in Sf9 cell membranes assessed as reduction in ghrelin octanoylation pre-incubated for 15 mins before substrate addition and measured after 3 hrs using octanoyl-CoA and fluorescent ghrelin peptide by HPLC analysis B 4 pIC50 >100000 nM IC50 US-20170056373-A1. Ghrelin o-acyltransferase inhibitors (2017)
kelch like ECH-associated protein 1/Kelch-like ECH-associated protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2069156] [GtoPdb: 2757] [UniProtKB: Q14145]
ChEMBL Binding affinity to Keap1 (unknown origin) assessed as dissociation constant incubated for 200 sec by sensor chip immobilization based surface plasmon resonance analysis B 4.31 pKd 48720 nM Kd J Med Chem (2023) 66: 9184-9200 [PMID:37386884]
GtoPdb Measuring inhibition of KEAP1 binding to Cul3 using an AlphaScreen bead-based proximity assay. - 7 pIC50 <100 nM IC50 PLoS ONE (2014) 9: e98896 [PMID:24896564]
Inducible NOS/Nitric oxide synthase, inducible in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4481] [GtoPdb: 1250] [UniProtKB: P35228]
ChEMBL Inhibition of inducible nitric oxide synthase in activated macrophages B 9.7 pIC50 0.2 nM IC50 Bioorg Med Chem Lett (2005) 15: 2215-2219 [PMID:15837296]
Inducible NOS/Nitric oxide synthase, inducible in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3464] [GtoPdb: 1250] [UniProtKB: P29477]
ChEMBL Inhibition of iNOS in LPS-stimulated mouse RAW264.7 cells assessed as inhibition of nitric oxide production after 48 hrs by Griess assay B 7.64 pIC50 23 nM IC50 J Med Chem (2015) 58: 4738-4748 [PMID:25965897]
Peroxisome proliferator-activated receptor-γ in Human [GtoPdb: 595] [UniProtKB: P37231]
GtoPdb - - 8 pKi - - - Mol Endocrinol (2000) 14: 1550-6 [PMID:11043571]

ChEMBL data shown on this page come from version 35:

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]