sinefungin [Ligand Id: 13317] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1214186 (COMPOUND 57926, LILLY 57926, LY-57926, Sinefungin, Sinefungina, Sinefungine) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Genome polyprotein in Zika virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523307] [UniProtKB: Q32ZE1] | ||||||||
| ChEMBL | Inhibition of ZIKV NS5 MTase activity assessed as methyltransferase reaction using capped RNA substrate pre-incubated for 2.5 hrs followed by enzyme addition measured after 1 hrs by luminometer | B | 4.72 | pIC50 | 19200 | nM | IC50 | Eur J Med Chem (2022) 243: 114710-114710 [PMID:36055002] |
| coactivator associated arginine methyltransferase 1/Histone-arginine methyltransferase CARM1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5406] [GtoPdb: 1255] [UniProtKB: Q86X55] | ||||||||
| ChEMBL | Inhibition of PRMT4 (unknown origin) | B | 5.76 | pIC50 | 1750 | nM | IC50 | Eur J Med Chem (2024) 267: 116212-116212 [PMID:38359536] |
| euchromatic histone lysine methyltransferase 1/Histone-lysine N-methyltransferase EHMT1 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] |
| euchromatic histone lysine methyltransferase 2/Histone-lysine N-methyltransferase EHMT2 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 G9a (unknown origin) | B | 4.52 | pIC50 | 30100 | nM | IC50 | ACS Med Chem Lett (2023) 14: 1531-1536 [PMID:37974951] |
| ChEMBL | Inhibition of EHMT2 (unknown origin) | B | 7 | pIC50 | 100 | nM | IC50 | Bioorg Med Chem (2017) 25: 4579-4594 [PMID:28739157] |
| nuclear receptor binding SET domain protein 1/Histone-lysine N-methyltransferase, H3 lysine-36 specific in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3588738] [GtoPdb: 2696] [UniProtKB: Q96L73] | ||||||||
| ChEMBL | Inhibition of human NSD1 overexpressed in Escherichia coli BL21(DE3) using nucleosome as substrate by SPA analysis | B | 4.34 | pIC50 | 46000 | nM | IC50 | Eur J Med Chem (2023) 256: 115440-115440 [PMID:37182335] |
| 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] |
| nuclear receptor binding SET domain protein 2/Histone-lysine N-methyltransferase NSD2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3108645] [GtoPdb: 3220] [UniProtKB: O96028] | ||||||||
| ChEMBL | Inhibition of human NSD2 (934 to 1241 residues) expressed in Escherichia coli BL21 (DE3) using [3H]-SAM as substrate incubated for 1 hr by TopCount radioactivity counter | B | 4.1 | pIC50 | 79000 | nM | IC50 | J Med Chem (2023) 66: 1634-1651 [PMID:36642961] |
| ChEMBL | Inhibition of human NSD2 overexpressed in Escherichia coli BL21(DE3) using nucleosome as substrate by SPA analysis | B | 4.1 | pIC50 | 79000 | nM | IC50 | Eur J Med Chem (2023) 256: 115440-115440 [PMID:37182335] |
| ChEMBL | Inhibition of 15N-labeled NSD2 (953 to 1240 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 using H3K36 as substrate incubated for 60 mins by Alphascreen assay | B | 4.34 | pIC50 | 46000 | nM | IC50 | Eur J Med Chem (2023) 250: 115232-115232 [PMID:36863225] |
| ChEMBL | Inhibition of MMSET (953 to 1240 residues) (unknown origin) by Alpha Screen assay | B | 4.34 | pIC50 | 46000 | nM | IC50 | Eur J Med Chem (2024) 274: 116532-116532 [PMID:38805937] |
| Histone-lysine N-methyltransferase NSD3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3108646] [UniProtKB: Q9BZ95] | ||||||||
| ChEMBL | Inhibition of human NSD3 overexpressed in Escherichia coli BL21(DE3) using nucleosome as substrate by SPA analysis | B | 4.21 | pIC50 | 61000 | nM | IC50 | Eur J Med Chem (2023) 256: 115440-115440 [PMID:37182335] |
| 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 | Affinity Biochemical interaction: (inhibition of histone H3 methylation) EUB0002319a SETD7 | F | 5.04 | pIC50 | 9100 | nM | IC50 | Affinity Biochemical Literature for EUbOPEN Chemogenomic Library |
| 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] |
| ChEMBL | Affinity Biochemical interaction: (inhibition of histone H3(1-21) methylation) EUB0002319a SETD7 | F | 5.62 | pIC50 | 2380 | nM | IC50 | Affinity Biochemical Literature for EUbOPEN Chemogenomic Library |
| 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] |
| methyltransferase 3, N6-adenosine-methyltransferase complex catalytic subunit/METTL3/METTL14 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106140] [GtoPdb: 3181] [UniProtKB: Q86U44, Q9HCE5] | ||||||||
| ChEMBL | Inhibition of recombinant METTL3/METTL14 (unknown origin) by radioactivity based assay | B | 5.63 | pIC50 | 2360 | nM | IC50 | ACS Med Chem Lett (2024) 15: 1491-1499 [PMID:39291017] |
| ChEMBL | Inhibition of METTL3/METTL14 (unknown origin) | B | 5.89 | pIC50 | 1300 | nM | IC50 | Eur J Med Chem (2024) 274: 116526-116526 [PMID:38805939] |
| mRNA cap guanine-N7 methyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295662] [UniProtKB: O43148] | ||||||||
| ChEMBL | Inhibition of human RNMT using GpppAC4 and [3H]AdoMet as substrate incubated for 30 mins by liquid scintillation counter analysis | B | 5.28 | pIC50 | 5300 | nM | IC50 | Eur J Med Chem (2023) 252: 115290-115290 [PMID:36958266] |
| 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 6His-tagged human recombinant PRMT1 using Histone H4 as substrate | B | 5.43 | pIC50 | 3700 | nM | IC50 | J Med Chem (2024) 67: 15931-15946 [PMID:39250434] |
| ChEMBL | Inhibition of recombinant C-terminal GST-tagged PRMT1 (unknown origin) | B | 5.79 | pIC50 | 1630 | nM | IC50 | J Med Chem (2024) 67: 15931-15946 [PMID:39250434] |
| 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] |
| ChEMBL | Affinity Biochemical interaction: (inhibition of histone H4 methylation) EUB0002319a PRMT5 | F | 6.16 | pIC50 | 690 | nM | IC50 | Affinity Biochemical Literature for EUbOPEN Chemogenomic Library |
| ChEMBL | Affinity Biochemical interaction: (inhibition of histone H4 (1-21) methylation) EUB0002319a PRMT5 | F | 6.51 | pIC50 | 310 | nM | IC50 | Affinity Biochemical Literature for EUbOPEN Chemogenomic Library |
| Protein-L-isoaspartate(D-aspartate) O-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 N-terminal 6His-tagged SARS-CoV 2 nsp14 N7-methyltransferase activity expressed in Escherichia coli C2566 using GpppAC4 synthetic RNA and [3H]-SAM as substrate incubated for 30 mins in presence of SAM by liquid scintillation counter analysis | B | 6.44 | pIC50 | 360 | nM | IC50 | Eur J Med Chem (2023) 256: 115474-115474 [PMID:37192550] |
| 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 N-terminal hexa-histidine tagged recombinant SARS-CoV-2 nsp14 RNA cap N7-methyltransferase activity expressed in Escherichia coli C2566 using GpppAC4 synthetic RNA and [3H]-SAM as substrate incubated for 30 mins by filter binding assay based liquid scintillation counter analysis | B | 6.56 | pIC50 | 278 | nM | IC50 | RSC Med Chem (2024) 15: 839-847 [PMID:38516599] |
| 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 36:
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]
