ML355 [Ligand Id: 8752] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL3113165 (ML-355, ML355, Vlx-1005, VLX-1005)
  • 12S-LOX/Arachidonate 12-lipoxygenase in Human [ChEMBL: CHEMBL3687] [GtoPdb: 1387] [UniProtKB: P18054]
  • 12S-LOX/Arachidonate 12-lipoxygenase in Mouse [ChEMBL: CHEMBL3225] [GtoPdb: 1387] [UniProtKB: P39655]
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  • 15-LOX-1/Arachidonate 15-lipoxygenase in Human [ChEMBL: CHEMBL2903] [GtoPdb: 1388] [UniProtKB: P16050]
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  • 15-LOX-2/Arachidonate 15-lipoxygenase, type II in Human [ChEMBL: CHEMBL2457] [GtoPdb: 1389] [UniProtKB: O15296]
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  • 5-LOX/Arachidonate 5-lipoxygenase in Human [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
12S-LOX/Arachidonate 12-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3687] [GtoPdb: 1387] [UniProtKB: P18054]
ChEMBL Competitive inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate assessed as 12-HPETE formation by Henri-Michaelis Menten equation analysis B 6.14 pKi 720 nM Ki J Med Chem (2014) 57: 495-506 [PMID:24393039]
ChEMBL Uncompetitive inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate assessed as 12-HPETE formation by Henri-Michaelis Menten equation analysis B 6.46 pKi 350 nM Ki J Med Chem (2014) 57: 495-506 [PMID:24393039]
ChEMBL Inhibition of wild type human N-terminal His-tagged 12-LOX using arachidonic acid as substrate by UV-Vis spectroscopy analysis B 6.44 pIC50 360 nM IC50 Bioorg Med Chem (2021) 46: 116347-116347 [PMID:34507163]
ChEMBL Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis B 6.47 pIC50 340 nM IC50 J Med Chem (2014) 57: 495-506 [PMID:24393039]
GtoPdb - - 6.47 pIC50 340 nM IC50 J Med Chem (2014) 57: 495-506 [PMID:24393039]
12S-LOX/Arachidonate 12-lipoxygenase in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3225] [GtoPdb: 1387] [UniProtKB: P39655]
ChEMBL Inhibition of 12-LOX in mouse BTC3 cells assessed as inhibition of arachidonic acid/calcium ionophore-induced 12-HETE production after 4 hrs by ELISA B 6 pIC50 1000 nM IC50 J Med Chem (2014) 57: 495-506 [PMID:24393039]
15-LOX-1/Arachidonate 15-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2903] [GtoPdb: 1388] [UniProtKB: P16050]
ChEMBL Inhibition of N-terminal His6-tagged human reticulocyte 15-LOX1 using arachidonic acid as substrate by UV-vis spectrophotometric analysis B 5.01 pIC50 9700 nM IC50 J Med Chem (2014) 57: 495-506 [PMID:24393039]
15-LOX-2/Arachidonate 15-lipoxygenase, type II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2457] [GtoPdb: 1389] [UniProtKB: O15296]
ChEMBL Inhibition of N-terminal His6-tagged human epithelial 15-LOX2 using arachidonic acid as substrate by UV-vis spectrophotometric analysis B 4 pIC50 >100000 nM IC50 J Med Chem (2014) 57: 495-506 [PMID:24393039]
5-LOX/Arachidonate 5-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917]
ChEMBL Inhibition of human 5-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis B 4 pIC50 >100000 nM IC50 J Med Chem (2014) 57: 495-506 [PMID:24393039]

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]