ML349 [Ligand Id: 13413] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1509398
  • lysophospholipase 1/Acyl-protein thioesterase 1 in Human [ChEMBL: CHEMBL1681631] [GtoPdb: 3290] [UniProtKB: O75608]
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  • lysophospholipase 2/Acyl-protein thioesterase 2 in Human [ChEMBL: CHEMBL1932891] [GtoPdb: 3291] [UniProtKB: O95372]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
lysophospholipase 1/Acyl-protein thioesterase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1681631] [GtoPdb: 3290] [UniProtKB: O75608]
ChEMBL Inhibition of APT1 (unknown origin) by FluPol-ABPP assay B 5 pKi >10000 nM Ki Medchemcomm (2014) 5: 268-276 [PMID:25558349]
lysophospholipase 2/Acyl-protein thioesterase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1932891] [GtoPdb: 3291] [UniProtKB: O95372]
ChEMBL Inhibition of APT2 (unknown origin) by FluPol-ABPP assay B 6.64 pKi 230 nM Ki Medchemcomm (2014) 5: 268-276 [PMID:25558349]
GtoPdb - - 6.64 pKi 230 nM Ki Medchemcomm (2014) 5: 268-276 [PMID:25558349]
GtoPdb - - 6.92 pKi 120 nM Ki ACS Med Chem Lett (2017) 8: 215-220 [PMID:28197315]
ChEMBL Competitive inhibition of HEK293T cells-derived His-tagged APT2 expressed in Escherichia coli BL21(DE3) preincubated for 30 mins followed by substrate addition by resorufin dye based acetate hydrolysis assay B 6.92 pKi 120 nM Ki ACS Med Chem Lett (2017) 8: 215-220 [PMID:28197315]
ChEMBL Inhibition of fluorescein-labeled ML349 binding to HEK293T cells-derived His-tagged APT2 expressed in Escherichia coli BL21(DE3) after 30 mins by fluorescence polarization assay B 5.96 pIC50 1100 nM IC50 ACS Med Chem Lett (2017) 8: 215-220 [PMID:28197315]
Pyridoxal kinase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075181] [UniProtKB: O00764]
ChEMBL Inhibition of fluorescein-labeled ML349 binding to HEK293T cells-derived His-tagged PDXK expressed in Escherichia coli BL21(DE3) after 30 mins by fluorescence polarization assay B 5 pIC50 >10000 nM IC50 ACS Med Chem Lett (2017) 8: 215-220 [PMID:28197315]

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]