sinefungin [Ligand Id: 13317] activity data from GtoPdb and ChEMBL

Click here for a description of the charts and data table

Please tell us if you are using this feature and what you think!

ChEMBL ligand: CHEMBL1214186 (COMPOUND 57926, LILLY 57926, LY-57926, Sinefungin)
  • DOT1 like histone lysine methyltransferase/Histone-lysine N-methyltransferase, H3 lysine-79 specific in Human [ChEMBL: CHEMBL1795117] [GtoPdb: 2650] [UniProtKB: Q8TEK3]
There should be some charts here, you may need to enable JavaScript!
  • euchromatic histone lysine methyltransferase 2/Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 in Human [ChEMBL: CHEMBL6032] [GtoPdb: 2652] [UniProtKB: Q96KQ7]
There should be some charts here, you may need to enable JavaScript!
  • euchromatic histone lysine methyltransferase 1/Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 in Human [ChEMBL: CHEMBL6031] [GtoPdb: 2651] [UniProtKB: Q9H9B1]
There should be some charts here, you may need to enable JavaScript!
  • SET domain containing 7, histone lysine methyltransferase/Histone-lysine N-methyltransferase SETD7 in Human [ChEMBL: CHEMBL5523] [GtoPdb: 2703] [UniProtKB: Q8WTS6]
There should be some charts here, you may need to enable JavaScript!
  • Indolethylamine N-methyltransferase in Human [ChEMBL: CHEMBL2131] [UniProtKB: O95050]
There should be some charts here, you may need to enable JavaScript!
  • nicotinamide N-methyltransferase/Nicotinamide N-methyltransferase in Human [ChEMBL: CHEMBL2346486] [GtoPdb: 3205] [UniProtKB: P40261]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • protein arginine methyltransferase 1 /Protein-arginine N-methyltransferase 1 in Human [ChEMBL: CHEMBL5524] [GtoPdb: 1252] [UniProtKB: Q99873]
There should be some charts here, you may need to enable JavaScript!
  • protein arginine methyltransferase 5 /Protein arginine N-methyltransferase 5 in Human [ChEMBL: CHEMBL1795116] [GtoPdb: 1256] [UniProtKB: O14744]
There should be some charts here, you may need to enable JavaScript!
  • Protein-beta-aspartate methyltransferase in Human [ChEMBL: CHEMBL4240] [UniProtKB: P22061]
There should be some charts here, you may need to enable JavaScript!
  • CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1]
There should be some charts here, you may need to enable JavaScript!
  • Thiopurine S-methyltransferase in Human [ChEMBL: CHEMBL2500] [UniProtKB: P51580]
There should be some charts here, you may need to enable JavaScript!
  • tRNA (cytosine(38)-C(5))-methyltransferase in Human [ChEMBL: CHEMBL4523124] [UniProtKB: O14717]
There should be some charts here, you may need to enable JavaScript!
  • CoV Non-structural protein 16 in SARS-CoV [GtoPdb: 3276]
There should be some charts here, you may need to enable JavaScript!
  • CoV 2'-O-methyltransferase in SARS-CoV-2 [GtoPdb: 3277]
There should be some charts here, you may need to enable JavaScript!
DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
DOT1 like histone lysine methyltransferase/Histone-lysine N-methyltransferase, H3 lysine-79 specific in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795117] [GtoPdb: 2650] [UniProtKB: Q8TEK3]
ChEMBL Inhibition of recombinant human His6-SUMO tagged DOT1L (1 to 416 residues) expressed in Escherichia coli BL21(DE3) using oligonucleosome as substrate measured after 30 mins in presence of SAM by AlphaLISA assay B 4.47 pIC50 33710 nM IC50 Bioorg Med Chem (2018) 26: 1751-1758 [PMID:29534934]
euchromatic histone lysine methyltransferase 2/Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6032] [GtoPdb: 2652] [UniProtKB: Q96KQ7]
ChEMBL Inhibition of EHMT2 (unknown origin) preincubated for 15 mins followed by SAM and biotinylated H3K9 peptide addition measured after 30 mins by TR-FRET assay B 4.52 pIC50 30100 nM IC50 Bioorg Med Chem (2017) 25: 4579-4594 [PMID:28739157]
ChEMBL Inhibition of EHMT2 (unknown origin) B 7 pIC50 100 nM IC50 Bioorg Med Chem (2017) 25: 4579-4594 [PMID:28739157]
euchromatic histone lysine methyltransferase 1/Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6031] [GtoPdb: 2651] [UniProtKB: Q9H9B1]
ChEMBL Inhibition of EHMT1 (unknown origin) preincubated for 5 mins followed by SAM and biotinylated H3K9 peptide addition measured after 120 mins by HTRF assay B 4.55 pIC50 28400 nM IC50 Bioorg Med Chem (2017) 25: 4579-4594 [PMID:28739157]
ChEMBL Inhibition of EHMT1 (unknown origin) B 7 pIC50 100 nM IC50 Bioorg Med Chem (2017) 25: 4579-4594 [PMID:28739157]
SET domain containing 7, histone lysine methyltransferase/Histone-lysine N-methyltransferase SETD7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5523] [GtoPdb: 2703] [UniProtKB: Q8WTS6]
ChEMBL Inhibition of GST-fused human recombinant SET7 after 90 mins by SDS-PAGE based scintillation counting B 5.6 pIC50 2500 nM IC50 Bioorg Med Chem Lett (2010) 20: 2103-2105 [PMID:20219369]
Indolethylamine N-methyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2131] [UniProtKB: O95050]
ChEMBL Inhibition of N-terminal 6His-tagged full length human recombinant INMT (1 to 263 residues) expressed in Escherichia coli BL21 (DE3) cells using S-(5'-Adenosyl)-L-methionine chloride dihydrochloride and 9H-pyrido[3,4-b]indole as substrate incubated for 2.5 hrs by MTase-Glo assay B 5.4 pIC50 4000 nM IC50 J Med Chem (2022) 65: 10655-10673 [PMID:35904556]
nicotinamide N-methyltransferase/Nicotinamide N-methyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2346486] [GtoPdb: 3205] [UniProtKB: P40261]
ChEMBL Inhibition of NNMT in HEK293 cells measured after 20 to 24 hrs by RapidFire Mass Spectrometry B 4 pIC50 >100000 nM IC50 J Med Chem (2022) 65: 10655-10673 [PMID:35904556]
ChEMBL Inhibition of wild-type human full length NNMT expressed in Escherichia coli BL21(DE3) cells assessed as reduction in 1-methyl-nicotinamide formation pre-incubated for 10 mins followed by AdoMet and nicotinamide addition measured after 30 mins by UHP-HILIC/Q-TOF-MS analysis B 4.9 pIC50 12510 nM IC50 J Med Chem (2019) 62: 6597-6614 [PMID:31265285]
ChEMBL Inhibition of N-terminal 6His-tagged full length human recombinant NNMT (1 to 264 residues) expressed in Escherichia coli BL21 (DE3) cells using S-adenosyl-L-methionine and NAM as substrate incubated for 2 hrs by by RapidFire Mass Spectrometry B 5.28 pIC50 5200 nM IC50 J Med Chem (2022) 65: 10655-10673 [PMID:35904556]
ChEMBL Binding affinity to recombinant human NNMT SAM binding site expressed in Escherichia coli BL21 (DE3) using nicotinamide as substrate and AdoMet as cofactor preincubated for 10 mins followed by substrate addition and measured after 10 mins by UHP-HILIC-MS analysis B 5.41 pIC50 3900 nM IC50 RSC Med Chem (2021) 12: 1254-1261 [PMID:34458733]
Nonstructural protein 5 in Dengue virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295629] [UniProtKB: V5TFZ2]
ChEMBL Inhibition of Dengue virus ribose 2'-O methyltransferase using RNA substrate after 20 mins in presence of [methyl-3H]-AdoMet by microbeta counting analysis B 7.39 pIC50 41 nM IC50 J Med Chem (2016) 59: 5622-5649 [PMID:26771861]
NS5 in Zika virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523952] [UniProtKB: A0A143MHK7]
ChEMBL Inhibition of Zika virus MTase (4 to 278 residues) expressed in Escherichia coli T7 using A27 RNA as substrate in presence of [3H]SAM incubated for 30 mins by liquid scintillation counter method B 5.79 pIC50 1620 nM IC50 J Med Chem (2020) 63: 470-489 [PMID:31549836]
ChEMBL Inhibition of Zika virus MTase (4 to 278 residues) expressed in Escherichia coli T7 using GpppAC4 as substrate in presence of [3H]SAM incubated for 30 mins by liquid scintillation counter method B 5.93 pIC50 1180 nM IC50 J Med Chem (2020) 63: 470-489 [PMID:31549836]
protein arginine methyltransferase 1 /Protein-arginine N-methyltransferase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5524] [GtoPdb: 1252] [UniProtKB: Q99873]
ChEMBL Inhibition of GST-fused human recombinant PRMT1 after 90 mins by SDS-PAGE based scintillation counting B 6 pIC50 <1000 nM IC50 Bioorg Med Chem Lett (2010) 20: 2103-2105 [PMID:20219369]
protein arginine methyltransferase 5 /Protein arginine N-methyltransferase 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795116] [GtoPdb: 1256] [UniProtKB: O14744]
ChEMBL Inhibition of full-length N-terminal FLAG-tagged PRMT5 (unknown origin) (1 to 637 residues) expressed in baculovirus infected Sf9 insect cells using histone H4 as peptide after 5 hrs in presence of [H3]AdoMet by scintillation proximity assay B 5.07 pIC50 8600 nM IC50 Bioorg Med Chem Lett (2018) 28: 3693-3699 [PMID:30366617]
Protein-beta-aspartate methyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4240] [UniProtKB: P22061]
ChEMBL Kinetic constant was measured for Protein Methylase II of Leishmania donovani promastigotes using supernatant (S12) fraction B 4.33 pKi 47000 nM Ki J Med Chem (1992) 35: 63-67 [PMID:1732534]
CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1]
ChEMBL Inhibition of SARS-CoV-2 nsp14 N7-MTase activity using [3H]SAM as substrate incubated for 30 mins in presence of GpppAC4 synthetic RNA and 7mGpppAC4 by DEAE radioactive filter binding assay B 6.44 pIC50 360 nM IC50 J Med Chem (2022) 65: 6231-6249 [PMID:35439007]
ChEMBL Inhibition of N7-MTase activity of SARS-CoV-2 N-terminus hexahistidine tag nsp14 expressed in Escherichia coli C2566 using [3H]SAM as substrate incubated for 30 mins in presence of mGpppAC4 synthetic RNA by radioactive filter binding assay B 6.56 pIC50 278 nM IC50 J Med Chem (2022) 65: 6231-6249 [PMID:35439007]
ChEMBL Inhibition of MTase activity of SARS-CoV-2 NSP14 expressed in Escherichia coli BL21(DE3) using GpppA and SAM as substrate preincubated for 15 mins followed by SAM addition incubated for 15 mins by LC-MS/MS analysis B 6.59 pIC50 260 nM IC50 ACS Med Chem Lett (2022) 13: 1477-1484 [PMID:36097498]
Thiopurine S-methyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2500] [UniProtKB: P51580]
ChEMBL Binding affinity to thiopurine methyltransferase (unknown origin) by NMR analysis B 5 pKd 10000 nM Kd J Med Chem (2014) 57: 7819-7837 [PMID:24913411]
tRNA (cytosine(38)-C(5))-methyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523124] [UniProtKB: O14717]
ChEMBL Displacement of FTAD from full-length human DNMT2 expressed in Escherichia coli incubated for 10 mins by MST assay B 4.68 pKd 20900 nM Kd ACS Med Chem Lett (2023) 14: 777-787 [PMID:37312859]
ChEMBL Binding affinity to full length human N-terminal his6-tagged DNMT2 expressed in Escherichia coli Rosetta2(DE3)pLysS assessed as dissociation constant at 100 uM by isothermal titration calorimetry assay B 5.12 pKd 7500 nM Kd J Med Chem (2022) 65: 9750-9788 [PMID:35849534]
ChEMBL Inhibition of full length human N-terminal his6-tagged DNMT2 expressed in Escherichia coli Rosetta2(DE3)pLysS by isothermal titration calorimetry assay B 4.88 pIC50 13200 nM IC50 J Med Chem (2022) 65: 9750-9788 [PMID:35849534]
CoV Non-structural protein 16 in SARS-CoV [GtoPdb: 3276]
GtoPdb - - 6.13 pIC50 736 nM IC50 Nat Commun (2020) 11: 3717 [PMID:32709887]
CoV 2'-O-methyltransferase in SARS-CoV-2 [GtoPdb: 3277]
GtoPdb - - 5.47 pIC50 3400 nM IC50 SLAS Discov (2021) 26: 757-765 [PMID:33874769]

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]