MCC950 [Ligand Id: 8228] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL3183703
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  • NLRP3/NACHT, LRR and PYD domains-containing protein 3 in Human [ChEMBL: CHEMBL1741208] [GtoPdb: 1770] [UniProtKB: Q96P20]
  • NLRP3/NACHT, LRR and PYD domains-containing protein 3 in Mouse [ChEMBL: CHEMBL3779755] [GtoPdb: 1770] [UniProtKB: Q8R4B8]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL Inhibition of human ERG by high throughput automated patch clamp method B 4.52 pIC50 >30000 nM IC50 J Med Chem (2019) 62: 5944-5978 [PMID:30682248]
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 human recombinant NLRP3 (1 to 1036 residues) by surface plasmon resonance analysis B 7.42 pKd 38 nM Kd J Med Chem (2023) 66: 13428-13451 [PMID:37756547]
ChEMBL Inhibition of NLRP3 inflammasome activation in human whole blood assessed as inhibition of LPS/ATP induced IL-1beta secretion preincubated with LPS for 3 hrs followed by compound addition for 30 mins and further stimulated with ATP for 60 mins by ELISA B 5.54 pIC50 2900 nM IC50 J Med Chem (2023) 66: 14897-14911 [PMID:37874905]
ChEMBL Inhibition of NLRP3 in human whole blood assessed as inhibition of IL-1beta production pretreated with LPS for 3 hrs followed by incubation with compound for 0.5 hrs and later incubated with ATP for 1.5 hrs by AlphaLISA assay B 5.89 pIC50 1300 nM IC50 ACS Med Chem Lett (2023) 14: 1833-1838 [PMID:38116417]
ChEMBL Inhibition of NLRP3 in LPS/nigericin-induced human THP-1 cells assessed as inhibition of IL-1beta production pretreated with LPS for 3 hrs followed by incubation with compound for 15 mins and later stimulated with nigericin for 90 mins by AlphaLISA assay B 7.22 pIC50 60 nM IC50 ACS Med Chem Lett (2023) 14: 1833-1838 [PMID:38116417]
ChEMBL Inhibition of NLRP3 inflammasome activation in LPS-activated human PBMC cells assessed as inhibition of ATP/nigericin induced IL-1beta secretion preincubated with LPS for 3 hrs followed by compound addition for 30 mins and further stimulated with ATP for 1 hr by ELISA B 7.52 pIC50 30 nM IC50 J Med Chem (2023) 66: 14897-14911 [PMID:37874905]
ChEMBL Inhibition of NLRP3 inflammasome activation in LPS and nigericin-stimulated human PBMC cells assessed as reduction in IL-1beta release preincubated with LPS for 3 hrs followed by compound addition for 30 mins and further stimulated with nigericin for 1.5 hrs by ELISA analysis B 7.54 pIC50 29 nM IC50 J Med Chem (2022) 65: 14721-14739 [PMID:36279149]
ChEMBL Inhibition of NLRP3 inflammasome activation in LPS-induced human THP-1 cells expressing GFP-tagged ASC assessed as disruption of ASC speck formation pretreated for 2 hrs with LPS followed by compound addition for 30 mins and further incubated with zVAD-FMK and nigericin for 1 hr by Hoechst 33342 staining based analysis B 7.55 pIC50 28 nM IC50 J Med Chem (2023) 66: 14897-14911 [PMID:37874905]
ChEMBL Inhibition of NLRP3 inflammasome activation in PMA differentiated LPS-primed human THP-1 cells assessed as reduction in nigericin-induced IL-1beta level pretreated for 2 hrs followed by nigericin addition and measured after 30 mins by ELISA B 7.89 pIC50 13 nM IC50 Eur J Med Chem (2022) 237: 114338-114338 [PMID:35436667]
GtoPdb - - 8 pIC50 <10 nM IC50 Nat Med (2015) 21: 248-55 [PMID:25686105]
ChEMBL Inhibition of NLRP3 inflammasome activation in LPS-primed human monocyte derived macrophages assessed as reduction in IL-1beta level preincubated for 30 mins followed by Pam3CSK4 addition and measured after 4 hrs by ELISA method B 8.09 pIC50 8.1 nM IC50 Bioorg Med Chem (2021) 30: 115954-115954 [PMID:33360197]
ChEMBL Inhibition of NLRP3 in human monocyte-derived macrophages B 8.09 pIC50 8.1 nM IC50 J Med Chem (2021) 64: 871-889 [PMID:33332136]
ChEMBL Inhibition of NLRP3 in LPS/ATP-treated human monocyte derived macrophages assessed as reduction in NLRP3 inflammasome activation by measuring reduction in IL-1beta level by ELISA method B 8.09 pIC50 8.1 nM IC50 Eur J Med Chem (2020) 185: 111822-111822 [PMID:31699536]
ChEMBL Inhibition of NLRP3 in human THP1 cells assessed as inhibition of IL-1beta production B 8.1 pIC50 8 nM IC50 Bioorg Med Chem Lett (2020) 30: 127571-127571 [PMID:32980515]
ChEMBL Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production by ELISA B 8.1 pIC50 8 nM IC50 Bioorg Med Chem Lett (2018) 28: 793-795 [PMID:29338910]
ChEMBL Inhibition of NLRP3 inflammasome activation in LPS-primed human THP1 cells assessed as reduction in IL-1beta level preincubated for 1 hr followed by addition of ATP and nigericin further incubated for 1 hrs and measured post ATP addition 1 hr by ELISA method B 8.1 pIC50 8 nM IC50 ACS Med Chem Lett (2020) 11: 414-418 [PMID:32292543]
ChEMBL Inhibition of NLRP3 in human monocyte derived macrophages assessed as reduction in LPS-induced IL-1beta production incubated for 30 mins followed by nigericin sodium salt stimulation for 2 hrs post LPS challenge for 3 hrs by ELISA B 8.3 pIC50 5 nM IC50 Bioorg Med Chem Lett (2018) 28: 793-795 [PMID:29338910]
NLRP3/NACHT, LRR and PYD domains-containing protein 3 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3779755] [GtoPdb: 1770] [UniProtKB: Q8R4B8]
ChEMBL Inhibition of NLRP3 in LPS induced mouse BV-2 cells assessed as reduction in IL-1beta production pretreated for 30 mins followed by nigericin addition measured after 2 hrs by ELISA assay B 5.41 pIC50 3927 nM IC50 J Med Chem (2023) 66: 14447-14473 [PMID:37879043]
ChEMBL Inhibition of NLRP3 in mouse peritoneal macrophages assessed as inhibition of LPS and ATP-induced IL-1beta production pre-stimulated with LPS for 4.5 hrs before compound addition with ATP for 30 mins by ELISA B 7.4 pIC50 40 nM IC50 J Med Chem (2019) 62: 9718-9731 [PMID:31626545]
ChEMBL Inhibition of NLRP3 inflammasome activation in LPS/nigericin-treated mouse J774A.1 cells assessed as decrease in LDH release pretreated for 0.5 hrs followed by stimulation with nigericin for 1 hr by LDH release assay B 7.64 pIC50 23.1 nM IC50 J Nat Prod (2022) 85: 2675-2681 [PMID:36286259]
ChEMBL Inhibition of NLRP3 inflammasome activation in LPS/nigericin-treated mouse J774A.1 cells assessed as decrease in IL-1beta level pretreated for 0.5 hrs followed by stimulation with nigericin for 1 hr by ELISA B 7.64 pIC50 23.1 nM IC50 J Nat Prod (2022) 85: 2675-2681 [PMID:36286259]
ChEMBL Inhibition of NLRP3 inflammasome activation in LPS-primed mouse J774.A1 cells assessed as reduction in IL-1beta secretion preincubated for 1 hr followed by nigericin stimulation and measured after 1 hr by ELISA B 7.66 pIC50 21.88 nM IC50 J Med Chem (2022) 65: 11985-12001 [PMID:36063115]
ChEMBL Inhibition of NLRP3 inflammasome in mouse JJ74.A1 cells assessed as inhibition of LPS/ATP-induced IL-1 beta secretion primed with LPS for 4.5 hs followed by incubation with compound for 30 mins and later stimulation with ATP for 30 mins by ELISA B 7.85 pIC50 14 nM IC50 J Med Chem (2023) 66: 12966-12989 [PMID:37695288]
ChEMBL Inhibition of NLRP3 inflammasome in mouse JJ74.A1 cells assessed as inhibition of LPS/ATP-induced IL-1 beta release stimulated with LPS for 4.5 hs followed by incubation with compound for 30 mins and ATP addition for 30 mins by ELISA B 7.89 pIC50 13 nM IC50 J Med Chem (2023) 66: 16141-16167 [PMID:38029358]
ChEMBL Inhibition of NLRP3 in mouse BMDM cells preincubated for 30 mins followed by ATP addition by ELISA analysis B 8.12 pIC50 7.5 nM IC50 J Med Chem (2016) 59: 1691-1710 [PMID:26422006]
ChEMBL Inhibition of NLRP3 in mouse BMDMs B 8.12 pIC50 7.5 nM IC50 J Med Chem (2021) 64: 871-889 [PMID:33332136]
ChEMBL Inhibition of NLRP3 in LPS/ATP-treated mouse bone marrow derived macrophages assessed as reduction in NLRP3 inflammasome activation by measuring reduction in IL-1beta level by ELISA method B 8.12 pIC50 7.5 nM IC50 Eur J Med Chem (2020) 185: 111822-111822 [PMID:31699536]
ChEMBL Inhibition of NLRP3 inflammasome activation in LPS-stimulated mouse BMDM assessed as reduction in NLRP3 inflammasome-induced IL-1beta production preincubated for 30 mins followed by NLRP3 stimulation with ATP by ELISA B 8.12 pIC50 7.5 nM IC50 ACS Med Chem Lett (2016) 7: 1034-1038 [PMID:27994733]
ChEMBL Inhibition of NLRP3 inflammasome activation in LPS/nigericin-treated mouse BMDM cells assessed as inhibition of LPS and nigericin-induced IL-1beta production pre-treated for 1 hr measured after 1 hr of stimulation by ELISA B 8.12 pIC50 7.5 nM IC50 Eur J Med Chem (2021) 219: 113417-113417 [PMID:33845232]
ChEMBL Inhibition of NLRP3 inflammasome activation in LPS-primed mouse bone marrow derived macrophages assessed as reduction in IL-1beta level preincubated for 30 mins followed by ATP addition and measured after 4 hrs by ELISA method B 8.12 pIC50 7.5 nM IC50 Bioorg Med Chem (2021) 30: 115954-115954 [PMID:33360197]
ChEMBL Inhibition of NLRP3 inflammasome activation in LPS-primed mouse BMDM cells assessed as reduction in ATP induced IL-1beta release pretreated for 15 mins followed by ATP stimulation for 30 mins by ELISA B 9.41 pIC50 0.39 nM IC50 J Med Chem (2022) 65: 6250-6260 [PMID:35403430]

ChEMBL data shown on this page come from version 34:

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]