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]
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 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 monocyte-derived macrophages B 8.09 pIC50 8.1 nM IC50 J Med Chem (2021) 64: 871-889 [PMID:33332136]
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 by ELISA B 8.1 pIC50 8 nM IC50 Bioorg Med Chem Lett (2018) 28: 793-795 [PMID:29338910]
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 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 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-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 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 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 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/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 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]