ML130 [Ligand Id: 8887] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1412853
  • nucleotide binding oligomerization domain containing 1/Nucleotide-binding oligomerization domain-containing protein 1 in Human [ChEMBL: CHEMBL1293222] [GtoPdb: 1762] [UniProtKB: Q9Y239]
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  • nucleotide binding oligomerization domain containing 2/Nucleotide-binding oligomerization domain-containing protein 2 in Human [ChEMBL: CHEMBL1293266] [GtoPdb: 1763] [UniProtKB: Q9HC29]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
nucleotide binding oligomerization domain containing 1/Nucleotide-binding oligomerization domain-containing protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293222] [GtoPdb: 1762] [UniProtKB: Q9Y239]
ChEMBL Antagonist activity at human NOD1 expressed in HEK293 cells assessed as reduction in C12-iE-DAP-induced NF-kappaB activation preincubated for 1 hr followed by C12-iE-DAP stimulation and measured after 18 hrs by SEAP reporter gene based spectrophotometric analysis B 6.11 pIC50 771 nM IC50 Eur J Med Chem (2020) 190: 112089-112089 [PMID:32014680]
GtoPdb - - 6.25 pIC50 560 nM IC50 ACS Med Chem Lett (2011) 2: 780-785 [PMID:22003428]
ChEMBL Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as inhibition of gamma-tri-DAP-induced luciferase activity after 14 hrs by reporter gene assay B 6.25 pIC50 560 nM IC50 ACS Med Chem Lett (2011) 2: 780-785 [PMID:22003428]
ChEMBL Inhibition of NOD1 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay B 6.25 pIC50 560 nM IC50 J Med Chem (2014) 57: 6897-6918 [PMID:24707857]
ChEMBL Inhibition of human NOD1 over-expressed in HEK-Blue cells assessed as inhibition of C12-iE-DAP induced NF-kappaB transcriptional activity preincubated for 1 hr followed by addition of C12-iE-DAP measured after 18 hrs by SEAP reporter gene assay B 6.25 pIC50 560 nM IC50 Bioorg Med Chem (2016) 24: 5221-5234 [PMID:27601373]
nucleotide binding oligomerization domain containing 2/Nucleotide-binding oligomerization domain-containing protein 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293266] [GtoPdb: 1763] [UniProtKB: Q9HC29]
ChEMBL Inhibition of human NOD2 over-expressed in HEK-Blue cells assessed as inhibition of C12-iE-DAP induced NF-kappaB transcriptional activity preincubated for 1 hr followed by addition of C12-iE-DAP measured after 18 hrs by SEAP reporter gene assay B 4.26 pIC50 54900 nM IC50 Bioorg Med Chem (2016) 24: 5221-5234 [PMID:27601373]
ChEMBL Antagonist activity at human NOD2 expressed in HEK293 cells assessed as reduction in MDP-induced NF-kappaB activation preincubated for 1 hr followed by MDP stimulation and measured after 18 hrs by SEAP reporter gene based spectrophotometric analysis B 4.26 pIC50 54900 nM IC50 Eur J Med Chem (2020) 190: 112089-112089 [PMID:32014680]
ChEMBL Inhibition of NOD-2 mediated NFkappaB activation in HEK293T cells assessed as inhibition of MDP-induced luciferase activity after 14 hrs by reporter gene assay B 4.7 pIC50 >20000 nM IC50 ACS Med Chem Lett (2011) 2: 780-785 [PMID:22003428]
ChEMBL Inhibition of NOD2 (unknown origin) expressed in HEK293T cells coexpressing NF-kappaB driven luciferase reporter gene by HTS primary assay B 4.7 pIC50 >20000 nM IC50 J Med Chem (2014) 57: 6897-6918 [PMID:24707857]
GtoPdb - - 4.7 pIC50 >20000 nM IC50 ACS Med Chem Lett (2011) 2: 780-785 [PMID:22003428]

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]