S-adenosylhomocysteine [Ligand Id: 5265] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL418052 (S-Adenosylhomocysteine, S-Adenosyl Homocysteine, S-Adenosyl-Homocysteine) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| DNA methyltransferase 1/DNA (cytosine-5)-methyltransferase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1993] [GtoPdb: 2605] [UniProtKB: P26358] | ||||||||
| ChEMBL | Inhibition of human recombinant DNMT1 expressed in baculovirus-insect cell system by scintillation counting | B | 5.4 | pIC50 | 4000 | nM | IC50 | Bioorg Med Chem (2010) 18: 822-829 [PMID:20006515] |
| ChEMBL | Inhibition of human recombinant DNMT1 expressed in Sf9 cells assessed as incorporation of [3H]S-adenosyl methionine into hemimethylated oligonucleotide substrate after 3 hrs by scintillation counting | B | 5.4 | pIC50 | 4000 | nM | IC50 | J Med Chem (2011) 54: 7663-7677 [PMID:21958292] |
| ChEMBL | Inhibition of human recombinant DNMT1 expressed in baculovirus infected high five insect cells | B | 5.7 | pIC50 | 2000 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 2747-2751 [PMID:19362833] |
| ChEMBL | Inhibition of human Dnmt1 using oligonucleotide 2 as substrate after 5000 sec by micro plate reader based real-time break-light assay | B | 6.03 | pIC50 | 941 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 3079-3082 [PMID:22483584] |
| ChEMBL | Inhibition of full length N-terminal His6-tagged human DNMT1 after 1 hr by fluorescence analysis | B | 6.05 | pIC50 | 900 | nM | IC50 | J Med Chem (2012) 55: 1731-1750 [PMID:22280363] |
| ChEMBL | Inhibition of human recombinant DNMT1 | B | 6.1 | pIC50 | 800 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 2742-2746 [PMID:19364644] |
| ChEMBL | Inhibition of human recombinant full-length DNMT1 expressed in Sf9 cells assessed as inhibition of methylated dI-dC formation using poly dI-dC and [Me-3H]SAM as substrate incubated for 2 hrs by liquid scintillation counting analysis | B | 6.15 | pIC50 | 700 | nM | IC50 | J Med Chem (2022) 65: 5462-5494 [PMID:35324190] |
| ChEMBL | Inhibition of DNMT1 (unknown origin) using biotinylated substrate using [3H]-SAM after 1 hr by scintillation proximity assay | B | 6.22 | pIC50 | 600 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 826-831 [PMID:30704813] |
| ChEMBL | Inhibition of DNMT1 (unknown origin) | B | 6.7 | pIC50 | 200 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 4518-4522 [PMID:27485386] |
| ChEMBL | Inhibition of recombinant human DNMT1 using poly(dl-dC) as substrate by hotspot assay | B | 7.15 | pIC50 | 71 | nM | IC50 | Eur J Med Chem (2020) 189: 112023-112023 [PMID:31978781] |
| DNA (cytosine-5-)-methyltransferase 3α/DNA (cytosine-5)-methyltransferase 3A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1992] [GtoPdb: 2750] [UniProtKB: Q9Y6K1] | ||||||||
| ChEMBL | Inhibition of human full length DNMT3A expressed in Sf9 cells | B | 4.3 | pIC50 | >50000 | nM | IC50 | ACS Med Chem Lett (2015) 6: 408-412 [PMID:25893041] |
| DNA (cytosine-5)-methyltransferase 3B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6095] [UniProtKB: Q9UBC3] | ||||||||
| ChEMBL | Inhibition of human full length DNMT3B expressed in Sf9 cells | B | 4.3 | pIC50 | >50000 | nM | IC50 | ACS Med Chem Lett (2015) 6: 408-412 [PMID:25893041] |
| ChEMBL | Inhibition of human C-terminal domain DNMT3b catalytic domain (568 to 853 residues) expressed in Escherichia coli BL21 (DE3) pLysS cells assessed as inhibition of methylated dI-dC formation using poly dI-dC and [Me-3H]SAM as substrate incubated for 45 mins in presence of DNMT3L by liquid scintillation counting analysis | B | 6.15 | pIC50 | 700 | nM | IC50 | J Med Chem (2022) 65: 5462-5494 [PMID:35324190] |
| ChEMBL | Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells | B | 6.52 | pIC50 | 300 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 2747-2751 [PMID:19362833] |
| ChEMBL | Inhibition of human recombinant DNMT3B expressed in baculovirus-insect cell system by scintillation counting | B | 6.6 | pIC50 | 250 | nM | IC50 | Bioorg Med Chem (2010) 18: 822-829 [PMID:20006515] |
| ChEMBL | Inhibition of human recombinant DNMT3b2 | B | 6.7 | pIC50 | 200 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 2742-2746 [PMID:19364644] |
| Histamine N-methyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2190] [UniProtKB: P50135] | ||||||||
| ChEMBL | Inhibition constant was evaluated against Histamine N-methyl-transferase | B | 4.74 | pKi | 18100 | nM | Ki | J Med Chem (1985) 28: 478-482 [PMID:3981540] |
| ChEMBL | Inhibition constant was evaluated against Histamine N-methyl-transferase | B | 4.98 | pKi | 10500 | nM | Ki | J Med Chem (1985) 28: 478-482 [PMID:3981540] |
| coactivator associated arginine methyltransferase 1/Histone-arginine methyltransferase CARM1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5406] [GtoPdb: 1255] [UniProtKB: Q86X55] | ||||||||
| ChEMBL | Inhibition of CARM1 | B | 6.07 | pKi | 860 | nM | Ki | J Med Chem (2012) 55: 8066-8074 [PMID:22924785] |
| ChEMBL | Inhibition of CARM1 (unknown origin) | B | 6.4 | pKi | 400 | nM | Ki | J Med Chem (2013) 56: 8972-8983 [PMID:23879463] |
| enhancer of zeste 1 polycomb repressive complex 2 subunit/Histone-lysine N-methyltransferase EZH1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2189116] [GtoPdb: 2835] [UniProtKB: Q92800] | ||||||||
| ChEMBL | Inhibition of EZH1 (unknown origin) by HMT assay | B | 5.19 | pIC50 | 6400 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1532-1537 [PMID:25746813] |
| enhancer of zeste 2 polycomb repressive complex 2 subunit/Histone-lysine N-methyltransferase EZH2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2189110] [GtoPdb: 2654] [UniProtKB: Q15910] | ||||||||
| ChEMBL | Inhibition of EZH2 (unknown origin) | B | 4.19 | pIC50 | 65000 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 4518-4522 [PMID:27485386] |
| ChEMBL | Inhibition of EZH2 (unknown origin) using [3H]SAM and chicken core histone as substrates incubated for 1 hr | B | 4.63 | pIC50 | 23700 | nM | IC50 | Eur J Med Chem (2022) 237: 114410-114410 [PMID:35525212] |
| ChEMBL | Inhibition of recombinant human EZH2 using core histone as substrate by hotspot assay | B | 4.65 | pIC50 | 22600 | nM | IC50 | Eur J Med Chem (2020) 189: 112023-112023 [PMID:31978781] |
| ChEMBL | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemate Plus equipped with 384-channel head (Thermo Scientific). The final top concentration of test compounds in the assay was 10 uM. Positive control (100% inhibition standard) was 1 mM final concentration of SAH and negative control (0% inhibition standard) contained 1 uL of DMSO. Test compounds were then incubated for 30 minutes with 40 uL per well of wild-type EZH2 (final concentration was 4 nM), Y641F EZH2 (final concentration was 0.1 nM) and A677G and A687V EZH2 (for each, final concentration was 2nM) and peptide in 1x assay buffer (20 mM BICINE pH =7.6, 1 mM DTT, 0.002% TWEEN 20 (generic: polysorbate 20), 0.005% BSG). For the wild-type EZH2 and A677G EZH2 assays, biotinylated peptide H3:21-44 with unmethylated K27 was present at a final concentration of 200 nM, while in the A687V EZH2 assay, biotinylated peptide H3. | B | 4.78 | pIC50 | 16619.3 | nM | IC50 | US-9175331-B2. Inhibitors of human EZH2, and methods of use thereof (2015) |
| ChEMBL | Inhibition of N-terminally FLAG-tagged wild type EZH2 in EZH2/SUZ12/EED/RbAp48 complex (unknown origin) expressed in baculovirus infected in SF9 cells assessed as inhibition of methylation of nucleosomes at H3K27 by scintillation counting in presence of [3H]SAM | B | 4.96 | pIC50 | 11000 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1532-1537 [PMID:25746813] |
| ChEMBL | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemate Plus equipped with 384-channel head (Thermo Scientific). The final top concentration of test compounds in the assay was 10 uM. Positive control (100% inhibition standard) was 1 mM final concentration of SAH and negative control (0% inhibition standard) contained 1 uL of DMSO. Test compounds were then incubated for 30 minutes with 40 uL per well of wild-type EZH2 (final concentration was 4 nM), Y641F EZH2 (final concentration was 0.1 nM) and A677G and A687V EZH2 (for each, final concentration was 2nM) and peptide in 1x assay buffer (20 mM BICINE pH =7.6, 1 mM DTT, 0.002% TWEEN 20 (generic: polysorbate 20), 0.005% BSG). For the wild-type EZH2 and A677G EZH2 assays, biotinylated peptide H3:21-44 with unmethylated K27 was present at a final concentration of 200 nM, while in the A687V EZH2 assay, biotinylated peptide H3. | B | 5.16 | pIC50 | 6908.2 | nM | IC50 | US-9175331-B2. Inhibitors of human EZH2, and methods of use thereof (2015) |
| ChEMBL | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemate Plus equipped with 384-channel head (Thermo Scientific). The final top concentration of test compounds in the assay was 10 uM. Positive control (100% inhibition standard) was 1 mM final concentration of SAH and negative control (0% inhibition standard) contained 1 uL of DMSO. Test compounds were then incubated for 30 minutes with 40 uL per well of wild-type EZH2 (final concentration was 4 nM), Y641F EZH2 (final concentration was 0.1 nM) and A677G and A687V EZH2 (for each, final concentration was 2nM) and peptide in 1x assay buffer (20 mM BICINE pH =7.6, 1 mM DTT, 0.002% TWEEN 20 (generic: polysorbate 20), 0.005% BSG). For the wild-type EZH2 and A677G EZH2 assays, biotinylated peptide H3:21-44 with unmethylated K27 was present at a final concentration of 200 nM, while in the A687V EZH2 assay, biotinylated peptide H3. | B | 5.2 | pIC50 | 6237.9 | nM | IC50 | US-9175331-B2. Inhibitors of human EZH2, and methods of use thereof (2015) |
| ChEMBL | Inhibition Assay: Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemate Plus equipped with 384-channel head (Thermo Scientific). The final top concentration of test compounds in the assay was 10 uM. Positive control (100% inhibition standard) was 1 mM final concentration of SAH and negative control (0% inhibition standard) contained 1 uL of DMSO. Test compounds were then incubated for 30 minutes with 40 uL per well of wild-type EZH2 (final concentration was 4 nM), Y641F EZH2 (final concentration was 0.1 nM) and A677G and A687V EZH2 (for each, final concentration was 2nM) and peptide in 1x assay buffer (20 mM BICINE pH =7.6, 1 mM DTT, 0.002% TWEEN 20 (generic: polysorbate 20), 0.005% BSG). For the wild-type EZH2 and A677G EZH2 assays, biotinylated peptide H3:21-44 with unmethylated K27 was present at a final concentration of 200 nM, while in the A687V EZH2 assay, biotinylated peptide H3. | B | 5.23 | pIC50 | 5903.4 | nM | IC50 | US-9175331-B2. Inhibitors of human EZH2, and methods of use thereof (2015) |
| ChEMBL | Inhibition Assay: S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 μM final concentration of SAH and negative control (0% inhibition standard) contained 1 μL of DMSO. SAH was then incubated for 30 minutes with 40 μL per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KCl, 1 mM DTT, 0.002% TWEEN® 20 (generic: polvsorbate 20), 0.005% BSG). A substrate mix at 10 μL per well was added which contained S-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated FLASHPLATE™ (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TOPCOUNT NXT HTS (Perkin Elmer). | B | 5.32 | pIC50 | 4800 | nM | IC50 | US-9175331-B2. Inhibitors of human EZH2, and methods of use thereof (2015) |
| ChEMBL | Inhibition Assay: Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 ÎĽL was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 ÎĽM final concentration of SAH and negative control (0% inhibition standard) contained 1 ÎĽL of DMSO. Compound 75 was then incubated for 30 minutes with 40 ÎĽL per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KCl, 1 mM DTT, 0.002% Tween 20, 0.005% BSG). A substrate mix at 10 ÎĽL per well was added which contained 5-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated Flashplate (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TopCount NXT HTS (Perkin Elmer). | B | 5.32 | pIC50 | 4800 | nM | IC50 | US-8895245-B2. Inhibitors of human EZH2 and methods of use thereof (2014) |
| ChEMBL | Inhibition Assay: S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 ÎĽL was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 ÎĽM final concentration of SAH and negative control (0% inhibition standard) contained 1 ÎĽL of DMSO. SAH was then incubated for 30 minutes with 40 ÎĽL per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KCl, 1 mM DTT, 0.002% Tween 20, 0.005% BSG). A substrate mix at 10 ÎĽL per well was added which contained S-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated Flashplate (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TopCount NXT HTS (Perkin Elmer). | B | 5.32 | pIC50 | 4800 | nM | IC50 | US-9333217-B2. Inhibitors of human EZH2, and methods of use thereof (2016) |
| ChEMBL | Inhibition of N-terminally FLAG-tagged EZH2 Y641N mutant in EZH2/SUZ12/EED/RbAp48 complex (unknown origin) expressed in baculovirus infected in SF9 cells assessed as inhibition of methylation of nucleosomes at H3K27 by scintillation counting in presence of [3H]SAM | B | 5.72 | pIC50 | 1900 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1532-1537 [PMID:25746813] |
| ChEMBL | Inhibition Assay: S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 ÎĽL was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 ÎĽM final concentration of SAH and negative control (0% inhibition standard) contained 1 ÎĽL of DMSO. SAH was then incubated for 30 minutes with 40 ÎĽL per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KCl, 1 mM DTT, 0.002% Tween 20, 0.005% BSG). A substrate mix at 10 ÎĽL per well was added which contained S-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated Flashplate (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TopCount NXT HTS (Perkin Elmer). | B | 6.33 | pIC50 | 467 | nM | IC50 | US-9333217-B2. Inhibitors of human EZH2, and methods of use thereof (2016) |
| ChEMBL | Inhibition Assay: Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 ÎĽL was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 ÎĽM final concentration of SAH and negative control (0% inhibition standard) contained 1 ÎĽL of DMSO. Compound 75 was then incubated for 30 minutes with 40 ÎĽL per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KCl, 1 mM DTT, 0.002% Tween 20, 0.005% BSG). A substrate mix at 10 ÎĽL per well was added which contained 5-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated Flashplate (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TopCount NXT HTS (Perkin Elmer). | B | 6.33 | pIC50 | 467 | nM | IC50 | US-8895245-B2. Inhibitors of human EZH2 and methods of use thereof (2014) |
| ChEMBL | Inhibition Assay: S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 μM final concentration of SAH and negative control (0% inhibition standard) contained 1 μL of DMSO. SAH was then incubated for 30 minutes with 40 μL per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KCl, 1 mM DTT, 0.002% TWEEN® 20 (generic: polvsorbate 20), 0.005% BSG). A substrate mix at 10 μL per well was added which contained S-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated FLASHPLATE™ (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TOPCOUNT NXT HTS (Perkin Elmer). | B | 6.33 | pIC50 | 467 | nM | IC50 | US-9175331-B2. Inhibitors of human EZH2, and methods of use thereof (2015) |
| ChEMBL | Inhibition Assay: S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 μM final concentration of SAH and negative control (0% inhibition standard) contained 1 μL of DMSO. SAH was then incubated for 30 minutes with 40 μL per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KCl, 1 mM DTT, 0.002% TWEEN® 20 (generic: polvsorbate 20), 0.005% BSG). A substrate mix at 10 μL per well was added which contained S-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated FLASHPLATE™ (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TOPCOUNT NXT HTS (Perkin Elmer). | B | 6.42 | pIC50 | 380 | nM | IC50 | US-9175331-B2. Inhibitors of human EZH2, and methods of use thereof (2015) |
| ChEMBL | Inhibition Assay: S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 ÎĽL was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 ÎĽM final concentration of SAH and negative control (0% inhibition standard) contained 1 ÎĽL of DMSO. SAH was then incubated for 30 minutes with 40 ÎĽL per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KCl, 1 mM DTT, 0.002% Tween 20, 0.005% BSG). A substrate mix at 10 ÎĽL per well was added which contained S-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated Flashplate (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TopCount NXT HTS (Perkin Elmer). | B | 6.42 | pIC50 | 380 | nM | IC50 | US-9333217-B2. Inhibitors of human EZH2, and methods of use thereof (2016) |
| ChEMBL | Inhibition Assay: Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 ÎĽL was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 ÎĽM final concentration of SAH and negative control (0% inhibition standard) contained 1 ÎĽL of DMSO. Compound 75 was then incubated for 30 minutes with 40 ÎĽL per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KCl, 1 mM DTT, 0.002% Tween 20, 0.005% BSG). A substrate mix at 10 ÎĽL per well was added which contained 5-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated Flashplate (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TopCount NXT HTS (Perkin Elmer). | B | 6.42 | pIC50 | 380 | nM | IC50 | US-8895245-B2. Inhibitors of human EZH2 and methods of use thereof (2014) |
| ChEMBL | Inhibition Assay: S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 ÎĽL was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 ÎĽM final concentration of SAH and negative control (0% inhibition standard) contained 1 ÎĽL of DMSO. SAH was then incubated for 30 minutes with 40 ÎĽL per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KCl, 1 mM DTT, 0.002% Tween 20, 0.005% BSG). A substrate mix at 10 ÎĽL per well was added which contained S-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated Flashplate (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TopCount NXT HTS (Perkin Elmer). | B | 6.55 | pIC50 | 283 | nM | IC50 | US-9333217-B2. Inhibitors of human EZH2, and methods of use thereof (2016) |
| ChEMBL | Inhibition Assay: Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 ÎĽL was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 ÎĽM final concentration of SAH and negative control (0% inhibition standard) contained 1 ÎĽL of DMSO. Compound 75 was then incubated for 30 minutes with 40 ÎĽL per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KCl, 1 mM DTT, 0.002% Tween 20, 0.005% BSG). A substrate mix at 10 ÎĽL per well was added which contained 5-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated Flashplate (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TopCount NXT HTS (Perkin Elmer). | B | 6.55 | pIC50 | 283 | nM | IC50 | US-8895245-B2. Inhibitors of human EZH2 and methods of use thereof (2014) |
| ChEMBL | Inhibition Assay: S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 μM final concentration of SAH and negative control (0% inhibition standard) contained 1 μL of DMSO. SAH was then incubated for 30 minutes with 40 μL per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KCl, 1 mM DTT, 0.002% TWEEN® 20 (generic: polvsorbate 20), 0.005% BSG). A substrate mix at 10 μL per well was added which contained S-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated FLASHPLATE™ (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TOPCOUNT NXT HTS (Perkin Elmer). | B | 6.55 | pIC50 | 283 | nM | IC50 | US-9175331-B2. Inhibitors of human EZH2, and methods of use thereof (2015) |
| ChEMBL | Inhibition Assay: Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 ÎĽL was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 ÎĽM final concentration of SAH and negative control (0% inhibition standard) contained 1 ÎĽL of DMSO. Compound 75 was then incubated for 30 minutes with 40 ÎĽL per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KCl, 1 mM DTT, 0.002% Tween 20, 0.005% BSG). A substrate mix at 10 ÎĽL per well was added which contained 5-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated Flashplate (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TopCount NXT HTS (Perkin Elmer). | B | 6.58 | pIC50 | 263 | nM | IC50 | US-8895245-B2. Inhibitors of human EZH2 and methods of use thereof (2014) |
| ChEMBL | Inhibition Assay: S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 μM final concentration of SAH and negative control (0% inhibition standard) contained 1 μL of DMSO. SAH was then incubated for 30 minutes with 40 μL per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KCl, 1 mM DTT, 0.002% TWEEN® 20 (generic: polvsorbate 20), 0.005% BSG). A substrate mix at 10 μL per well was added which contained S-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated FLASHPLATE™ (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TOPCOUNT NXT HTS (Perkin Elmer). | B | 6.58 | pIC50 | 263 | nM | IC50 | US-9175331-B2. Inhibitors of human EZH2, and methods of use thereof (2015) |
| ChEMBL | Inhibition Assay: S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 ÎĽL was plated in a 384 well microtiter plate. Positive control (100% inhibition standard) was 100 ÎĽM final concentration of SAH and negative control (0% inhibition standard) contained 1 ÎĽL of DMSO. SAH was then incubated for 30 minutes with 40 ÎĽL per well of EZH2 wild-type and mutants at 8 nM in pH 7.6 assay buffer (20 mM BICINE, 100 mM KCl, 1 mM DTT, 0.002% Tween 20, 0.005% BSG). A substrate mix at 10 ÎĽL per well was added which contained S-adenosylmethionine-Cl (SAM) at 150 nM and tritiated SAM at 100 nM, and biotinylated oligonucleosome at 150 nM in pH 7.6 assay buffer. Quenched enzyme reaction was transferred to a streptavidin-coated Flashplate (Perkin Elmer, catalog number SMP410), allowed to bind for one hour, and detected on a TopCount NXT HTS (Perkin Elmer). | B | 6.58 | pIC50 | 263 | nM | IC50 | US-9333217-B2. Inhibitors of human EZH2, and methods of use thereof (2016) |
| 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 | Binding affinity at human recombinant DOT1L catalytic domain amino acid (1 to 472) by isothermal titration calorimetric assay | B | 6.44 | pKd | 360 | nM | Kd | J Med Chem (2012) 55: 8066-8074 [PMID:22924785] |
| ChEMBL | Binding affinity at human recombinant DOT1L catalytic domain amino acid (1 to 472)-nucleosome complex by isothermal titration calorimetric assay | B | 6.82 | pKd | 150 | nM | Kd | J Med Chem (2012) 55: 8066-8074 [PMID:22924785] |
| ChEMBL | Inhibition of DOT1-like Histone H3 Methyltransferase (unknown origin) | B | 6.57 | pKi | 270 | nM | Ki | J Med Chem (2019) 62: 10005-10025 [PMID:31188592] |
| ChEMBL | Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter | B | 6.8 | pKi | 160 | nM | Ki | J Med Chem (2012) 55: 8066-8074 [PMID:22924785] |
| ChEMBL | Competitive inhibition of recombinant human DOT1L using adenosine/deazaadenosine as substrate and SAM cofactor | B | 6.8 | pKi | 160 | nM | Ki | J Med Chem (2013) 56: 8972-8983 [PMID:23879463] |
| ChEMBL | Competitive inhibition of human recombinant DOT1L (1 to 420 amino acid residues) overexpressed in Escherichia coli BL21 (DE3) using [3H]-SAM as substrate assessed as inhibition of nucleosome methylation incubated for 30 mins prior to substrate addition measured after 1 hr by scintillation counting analysis | B | 6.22 | pIC50 | 600 | nM | IC50 | Bioorg Med Chem (2013) 21: 1787-1794 [PMID:23433670] |
| ChEMBL | Competitive inhibition of human recombinant DOT1L (1 to 472 amino acid residues) expressed in Escherichia coli BL21 (DE3) using [3H]-SAM assessed as inhibition of nucleosome methylation incubated for 10 mins prior to substrate addition measured after 30 mins by scintillation counting analysis | B | 6.22 | pIC50 | 600 | nM | IC50 | Bioorg Med Chem (2013) 21: 1787-1794 [PMID:23433670] |
| ChEMBL | Inhibition of human recombinant DOT1L (1 to 420 amino acids) expressed in Escherichia coli | B | 6.66 | pIC50 | 220 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 4518-4522 [PMID:27485386] |
| ChEMBL | Inhibition of DOTL1 (unknown origin) using [3H]SAM and HeLa oligo nucleosomes as substrates incubated for 1 hr | B | 6.85 | pIC50 | 140 | nM | IC50 | Eur J Med Chem (2022) 237: 114410-114410 [PMID:35525212] |
| 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 G9a (unknown origin) | B | 6.24 | pKi | 570 | nM | Ki | J Med Chem (2013) 56: 8972-8983 [PMID:23879463] |
| ChEMBL | Inhibition of G9a (unknown origin) | B | 5.39 | pIC50 | 4100 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 4518-4522 [PMID:27485386] |
| ChEMBL | Inhibition of G9a (unknown origin) by HMT assay | B | 5.7 | pIC50 | 2000 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1532-1537 [PMID:25746813] |
| ChEMBL | Inhibition of recombinant human G9a using histone H3 (1 to 21) as substrate by hotspot assay | B | 5.74 | pIC50 | 1820 | nM | IC50 | Eur J Med Chem (2020) 189: 112023-112023 [PMID:31978781] |
| 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) by HMT assay | B | 6.64 | pIC50 | 230 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1532-1537 [PMID:25746813] |
| lysine methyltransferase 2A/Histone-lysine N-methyltransferase MLL in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293299] [GtoPdb: 2688] [UniProtKB: Q03164] | ||||||||
| ChEMBL | Inhibition of MLL (unknown origin) by HMT assay | B | 5.64 | pIC50 | 2300 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1532-1537 [PMID:25746813] |
| 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 recombinant human N-terminal GST-tagged NSD2 CD (941 to 1240 residues) expressed in Escherichia coli using SAM as substrate in presence of nucleosomes by AlphaLISA method | B | 4.41 | pIC50 | 39100 | nM | IC50 | Eur J Med Chem (2021) 222: 113592-113592 [PMID:34147909] |
| 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 SETD7 (unknown origin) | B | 4.33 | pIC50 | 47000 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 4518-4522 [PMID:27485386] |
| ChEMBL | Inhibition of SETD7 (unknown origin) by HMT assay | B | 4.52 | pIC50 | 30000 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1532-1537 [PMID:25746813] |
| SET domain bifurcated histone lysine methyltransferase 1/Histone-lysine N-methyltransferase SETDB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2321646] [GtoPdb: 2705] [UniProtKB: Q15047] | ||||||||
| ChEMBL | Inhibition of SETDB1 (unknown origin) by HMT assay | B | 5.66 | pIC50 | 2200 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1532-1537 [PMID:25746813] |
| SUV39H1 histone lysine methyltransferase/Histone-lysine N-methyltransferase SUV39H1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795118] [GtoPdb: 2715] [UniProtKB: O43463] | ||||||||
| ChEMBL | Inhibition of SUV39H1 | B | 5.31 | pKi | 4900 | nM | Ki | J Med Chem (2012) 55: 8066-8074 [PMID:22924785] |
| ChEMBL | Inhibition of SUV39H1 (unknown origin) by HMT assay | B | 5.92 | pIC50 | 1200 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1532-1537 [PMID:25746813] |
| SUV39H2 histone lysine methyltransferase/Histone-lysine N-methyltransferase SUV39H2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795177] [GtoPdb: 2716] [UniProtKB: Q9H5I1] | ||||||||
| ChEMBL | Inhibition of SUV39H2 (unknown origin) by HMT assay | B | 4.49 | pIC50 | 32000 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1532-1537 [PMID:25746813] |
| ChEMBL | Inhibition of SUV39H2 (unknown origin) | B | 4.66 | pIC50 | 22000 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 4518-4522 [PMID:27485386] |
| lysine methyltransferase 5C/Histone-lysine N-methyltransferase SUV420H2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2321644] [GtoPdb: 2718] [UniProtKB: Q86Y97] | ||||||||
| ChEMBL | Inhibition of SUV420H2 (unknown origin) by HMT assay | B | 5 | pIC50 | 10000 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1532-1537 [PMID:25746813] |
| Indolethylamine N-methyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2131] [UniProtKB: O95050] | ||||||||
| ChEMBL | Inhibitory constant towards indole N-methyl-transferase | B | 5.7 | pKi | 2000 | nM | Ki | J Med Chem (1983) 26: 1470-1477 [PMID:6620306] |
| methyltransferase 3, N6-adenosine-methyltransferase complex catalytic subunit/N6-adenosine-methyltransferase catalytic subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4739695] [GtoPdb: 3181] [UniProtKB: Q86U44] | ||||||||
| ChEMBL | Inhibition of recombinant METLL3 (unknown origin) expressed in baculovirus infected Sf9 cells assessed as decrease in N6-methyladenosine level in oligonucleotide substrate by TR-FRET assay | B | 6.23 | pIC50 | 590 | nM | IC50 | J Med Chem (2021) 64: 12738-12760 [PMID:34431664] |
| nicotinamide N-methyltransferase/Nicotinamide N-methyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2346486] [GtoPdb: 3205] [UniProtKB: P40261] | ||||||||
| 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 | 4.45 | pIC50 | 35300 | nM | IC50 | J Med Chem (2019) 62: 6597-6614 [PMID:31265285] |
| 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 | 4.58 | pIC50 | 26300 | nM | IC50 | RSC Med Chem (2021) 12: 1254-1261 [PMID:34458733] |
| SET and MYND domain containing 2/N-lysine methyltransferase SMYD2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2169716] [GtoPdb: 2714] [UniProtKB: Q9NRG4] | ||||||||
| ChEMBL | Inhibition of SMYD2 (unknown origin) by HMT assay | B | 6.74 | pIC50 | 180 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1532-1537 [PMID:25746813] |
| 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 | 6.31 | pIC50 | 490 | nM | IC50 | J Med Chem (2016) 59: 5622-5649 [PMID:26771861] |
| Phenylethanolamine N-methyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4617] [GtoPdb: 2496] [UniProtKB: P11086] | ||||||||
| ChEMBL | Competitive inhibition of C-terminal hexahistidine tag in human recombinant PNMT expressed in Escherichia coli assessed as inhibition constant using PEA as substrate in presence of 100 uM AdoMet as co-substrate by Sigma-plot analysis | B | 4.85 | pKi | 14000 | nM | Ki | J Med Chem (2020) 63: 13878-13898 [PMID:33147410] |
| Phenylethanolamine N-methyltransferase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2331] [UniProtKB: P10938] | ||||||||
| ChEMBL | Inhibition constant was evaluated against PNMT | B | 4.21 | pKi | 62300 | nM | Ki | J Med Chem (1985) 28: 478-482 [PMID:3981540] |
| ChEMBL | Inhibition constant was evaluated against PNMT | B | 4.54 | pKi | 29000 | nM | Ki | J Med Chem (1985) 28: 478-482 [PMID:3981540] |
| protein arginine methyltransferase 5 /PRMT5/MEP50 complex in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3137261] [GtoPdb: 1256] [UniProtKB: O14744, Q9BQA1] | ||||||||
| ChEMBL | Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues) /human N-terminal His-tagged MEP50 (2 to end residues) expressed in HEK293F cells using substrate pretreated for 15 mins followed by substrate and [3H]-SAM addition measured after 60 mins by scintillation proximity assay | B | 6.22 | pIC50 | 600 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 1476-1483 [PMID:29628326] |
| ChEMBL | Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues) /human N-terminal His-tagged MEP50 (2 to end residues) expressed in HEK293F cells pretreated for 15 mins followed by substrate and [3H]-SAM addition measured after 60 mins by scintillation proximity assay | B | 6.25 | pIC50 | 560 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 3693-3699 [PMID:30366617] |
| protein arginine methyltransferase 1 /Protein-arginine N-methyltransferase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5524] [GtoPdb: 1252] [UniProtKB: Q99873] | ||||||||
| ChEMBL | Inhibition of PRMT1 | B | 6.4 | pKi | 400 | nM | Ki | J Med Chem (2012) 55: 8066-8074 [PMID:22924785] |
| ChEMBL | Inhibition of recombinant human N-terminal GST-tagged PRMT1 (2 to end residues) expressed in baculovirus infected Sf9 insect cells using biotinylated histone H4 peptide as substrate preincubated for 15 mins followed by substrate/[3H]-SAM addition measured after 60 mins by microbeta liquid scintillation counting analysis | B | 6.26 | pIC50 | 550 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 4635-4642 [PMID:28927791] |
| ChEMBL | Inhibition of PRMT1 (unknown origin) using biotinylated histone H4-derived peptide as substrate after 60 mins by AlphaLISA assay | B | 6.3 | pIC50 | 500 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 5449-5453 [PMID:26428871] |
| ChEMBL | Displacement of [3H]-SAM from recombinant His6-tagged PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4(1 to 20)-BTN peptide addition measured after 8 mins by scintillation proximity assay | B | 6.38 | pIC50 | 420 | nM | IC50 | J Med Chem (2015) 58: 1228-1243 [PMID:25559100] |
| ChEMBL | Inhibition of PRMT1 (unknown origin) using [3H]SAM and chicken histone 4 as substrates incubated for 1 hr | B | 6.6 | pIC50 | 250 | nM | IC50 | Eur J Med Chem (2022) 237: 114410-114410 [PMID:35525212] |
| protein arginine methyltransferase 3/Protein arginine N-methyltransferase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5891] [GtoPdb: 1254] [UniProtKB: O60678] | ||||||||
| ChEMBL | Inhibition of PRMT3 (unknown origin) | B | 5.7 | pIC50 | 2000 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 4518-4522 [PMID:27485386] |
| ChEMBL | Inhibition of recombinant human PRMT3 using histone H4 as substrate by hotspot assay | B | 6.12 | pIC50 | 760 | nM | IC50 | Eur J Med Chem (2020) 189: 112023-112023 [PMID:31978781] |
| ChEMBL | Inhibition of recombinant human PRMT8 using histone H4 as substrate by hotspot assay | B | 6.96 | pIC50 | 110 | nM | IC50 | Eur J Med Chem (2020) 189: 112023-112023 [PMID:31978781] |
| protein arginine methyltransferase 5 /Protein arginine N-methyltransferase 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795116] [GtoPdb: 1256] [UniProtKB: O14744] | ||||||||
| ChEMBL | Inhibition of human full length PRMT5 expressed in Sf9 cells | B | 4.3 | pIC50 | >50000 | nM | IC50 | ACS Med Chem Lett (2015) 6: 408-412 [PMID:25893041] |
| ChEMBL | Inhibition of PRMT5 (unknown origin) | B | 6.7 | pIC50 | 200 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 4518-4522 [PMID:27485386] |
| protein arginine methyltransferase 7 /Protein arginine N-methyltransferase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3562175] [GtoPdb: 1258] [UniProtKB: Q9NVM4] | ||||||||
| ChEMBL | Inhibition of human full length PRMT7 expressed in Sf9 cells | B | 4.3 | pIC50 | >50000 | nM | IC50 | ACS Med Chem Lett (2015) 6: 408-412 [PMID:25893041] |
| ChEMBL | Inhibition of recombinant human PRMT7 using GST-GAR as substrate by hotspot assay | B | 6.96 | pIC50 | 110 | nM | IC50 | Eur J Med Chem (2020) 189: 112023-112023 [PMID:31978781] |
| 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 guanine-N7-methyltransferase activity | B | 6.66 | pIC50 | 220 | nM | IC50 | RSC Med Chem (2023) 14: 507-519 [PMID:36970153] |
| rRNA adenine N-6-methyltransferase in Streptococcus pneumoniae (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2757] [UniProtKB: P21236] | ||||||||
| ChEMBL | Inhibitory activity against ErmAM methylase | B | 4.4 | pKi | 40000 | nM | Ki | J Med Chem (1999) 42: 3852-3859 [PMID:10508434] |
| ChEMBL | Inhibition of ErmAM methylase | B | 4.4 | pKi | 40000 | nM | Ki | Bioorg Med Chem Lett (2000) 10: 433-437 [PMID:10743942] |
| tRNA (cytosine(38)-C(5))-methyltransferase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523124] [UniProtKB: O14717] | ||||||||
| 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 | 4.87 | pKd | 13600 | 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 | 4.8 | pIC50 | 15800 | nM | IC50 | J Med Chem (2022) 65: 9750-9788 [PMID:35849534] |
| tRNA (guanine-N(1)-)-methyltransferase in Mycobacterium tuberculosis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523933] [UniProtKB: P9WFY7] | ||||||||
| ChEMBL | Binding affinity to full length Mycobacterium tuberculosis tRNA (guanine(37)-N1)-methyltransferase expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assay | B | 5 | pKd | 10100 | nM | Kd | J Med Chem (2019) 62: 7788-7805 [PMID:31442049] |
| tRNA (guanine-N(1)-)-methyltransferase in Staphylococcus aureus (strain NCTC 8325 / PS 47) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523934] [UniProtKB: Q2FZ43] | ||||||||
| ChEMBL | Binding affinity to full length Staphylococcus aureus tRNA (guanine(37)-N1)-methyltransferase expressed in Escherichia coli BL21 (DE3) by surface plasmon resonance assay | B | 5.48 | pKd | 3300 | nM | Kd | J Med Chem (2019) 62: 7788-7805 [PMID:31442049] |
| tRNA (guanine-N(1)-)-methyltransferase in Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM14847 / LMG 12228 / 1C / PRS 101 / PAO1) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523932] [UniProtKB: Q9HXQ1] | ||||||||
| ChEMBL | Binding affinity to Pseudomonas aeruginosa tRNA (guanine(37)-N1)-methyltransferase (Leu5 to Asp25 residues) expressed in Escherichia coli BL21 (DE3) Rosetta T1R cells by surface plasmon resonance assay | B | 5.23 | pKd | 5900 | nM | Kd | J Med Chem (2019) 62: 7788-7805 [PMID:31442049] |
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]
