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ChEMBL ligand: CHEMBL3899754 |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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kelch like ECH-associated protein 1/Kelch-like ECH-associated protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2069156] [GtoPdb: 2757] [UniProtKB: Q14145] | ||||||||
GtoPdb | Binding affinity determined by ITC, between KEAP1 kelch domain and RA839. | - | 5.22 | pKd | 6000 | nM | Kd | J Biol Chem (2015) 290: 28446-55 [PMID:26459563] |
ChEMBL | Inhibition of human Keap1 kelch domain binding to Nrf2-ETGE peptide by ITC assay | B | 5.22 | pKd | 6000 | nM | Kd | J Med Chem (2018) 61: 8088-8103 [PMID:29750408] |
ChEMBL | Binding affinity to human KEAP1 Kelch domain (322 to 609 residues) by isothermal titration calorimetric method | B | 5.22 | pKd | 6000 | nM | Kd | J Med Chem (2019) 62: 6796-6813 [PMID:31283229] |
ChEMBL | Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) using RA839 as titrant by isothermal titration calorimetry | B | 5.22 | pKd | 6000 | nM | Kd | J Med Chem (2019) 62: 8028-8052 [PMID:31411465] |
ChEMBL | Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance analysis | B | 6.33 | pKd | 470 | nM | Kd | J Med Chem (2019) 62: 8028-8052 [PMID:31411465] |
ChEMBL | Inhibition of Cys5-LDEETGEFL-NH2 binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) measured after 10 to 15 mins by fluorescence polarization assay | B | 7.32 | pKi | 48 | nM | Ki | J Med Chem (2019) 62: 8028-8052 [PMID:31411465] |
GtoPdb | Inhibition constant determined using fluorescence polarization to monitor the interaction of human KEAP1 kelch domain (amino acids Ala321–Thr609) to a fluorescently labeled human Nrf2 peptide (Alexa633-AFFAQLQLDEETGEFL). | - | 6.85 | pIC50 | ~140 | nM | IC50 | J Biol Chem (2015) 290: 28446-55 [PMID:26459563] |
ChEMBL | Inhibition of human Keap1 kelch domain binding to Nrf2-ETGE peptide preincubated for 15 mins followed by peptide addition measured after 30 mins by fluorescence polarization assay | B | 6.85 | pIC50 | 140 | nM | IC50 | J Med Chem (2018) 61: 8088-8103 [PMID:29750408] |
ChEMBL | Displacement of FITC-LDEETGEFL-NH2 from human KEAP1 Kelch domain (322 to 609 residues) measured after 30 mins by fluorescence polarization assay | B | 6.85 | pIC50 | 140 | nM | IC50 | J Med Chem (2019) 62: 6796-6813 [PMID:31283229] |
ChEMBL | Inhibition of Alexa633-AFFAQLQLDEETGEFL binding to recombinant human KEAP1 Kelch domain (321 to 609 residues) preincubated for 15 mins followed by Alexa633-AFFAQLQLDEETGEFL addition and measured after 30 mins by fluorescence polarization assay | B | 6.85 | pIC50 | 140 | nM | IC50 | J Med Chem (2019) 62: 8028-8052 [PMID:31411465] |
ChEMBL | Inhibition of FITC-9mer Nrf2 peptide interaction with human recombinant Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli DE3 cells incubated for 30 mins by fluorescence polarization assay | B | 9.85 | pIC50 | 0.14 | nM | IC50 | J Med Chem (2020) 63: 11149-11168 [PMID:32902980] |
ChEMBL | Binding affinity to recombinant human KEAP1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) assessed as thermal stabilization by sypro orange dye based thermal shift assay | B | 4.89 | pEC50 | 13000 | nM | EC50 | J Med Chem (2019) 62: 8028-8052 [PMID:31411465] |
kelch like ECH-associated protein 1/Kelch-like ECH-associated protein 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3562164] [GtoPdb: 2757] [UniProtKB: Q9Z2X8] | ||||||||
ChEMBL | Binding affinity to mouse Keap1 Kelch domain expressed in Escherichia coli BL21 by VP-ITC assay | B | 5.22 | pKd | 6000 | nM | Kd | J Med Chem (2016) 59: 10837-10858 [PMID:27690435] |
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]