BAL-0028 [Ligand Id: 14533] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL5594893 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| NLRP3/NACHT, LRR and PYD domains-containing protein 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1741208] [GtoPdb: 1770] [UniProtKB: Q96P20] | ||||||||
| ChEMBL | Binding affinity to streptavidin sensor chip-immobilized biotinylated recombinant human NLRP3 NACHT domain extracted from Sf9 insect cells assessed as dissociation constant by SPR analysis | B | 6.98 | pKd | 104 | nM | Kd | Bioorg Med Chem Lett (2024) 102: 129675-129675 [PMID:38417632] |
| GtoPdb | Binding affinity for NLRP3NACHT determined by SPR | - | 7.01 | pKd | 98 | nM | Kd | J Exp Med (2025) 222: [PMID:40892070] |
| GtoPdb | Inhibition of NLRP3 activation in LPS stimulated THP-1 cells | - | 7.24 | pIC50 | 57.5 | nM | IC50 | J Exp Med (2025) 222: [PMID:40892070] |
| ChEMBL | Inhibition of NLRP3 activation in PMA-differentiated LPS-stimulated human THP-1 cells assessed as reduction in IL-1beta release preincubated for 30 mins followed by nigericin addition and measured after 60 mins by ELISA | B | 7.6 | pIC50 | 25 | nM | IC50 | Bioorg Med Chem Lett (2024) 102: 129675-129675 [PMID:38417632] |
ChEMBL data shown on this page come from version 37:
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]
