Detailed information for compound 1189407

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 338.243 | Formula: C15H20BrN3O
  • H donors: 0 H acceptors: 2 LogP: 2.08 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1
  • InChi: 1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2
  • InChiKey: CQERVFFAOOUFEQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 binding protein 1 Starlite/ChEMBL References
Homo sapiens PHD finger protein 23 Starlite/ChEMBL References
Homo sapiens lysine (K)-specific demethylase 5A Starlite/ChEMBL References
Homo sapiens ubiquitin-like with PHD and ring finger domains 1 Starlite/ChEMBL References
Homo sapiens mbt domain containing 1 Starlite/ChEMBL References
Homo sapiens l(3)mbt-like 3 (Drosophila) Starlite/ChEMBL References
Homo sapiens chromobox homolog 7 Starlite/ChEMBL References
Homo sapiens l(3)mbt-like 4 (Drosophila) Starlite/ChEMBL References
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL References
Homo sapiens Scm-like with four mbt domains 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis lysine specific demethylase 5A Get druggable targets OG5_127370 All targets in OG5_127370
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127370 All targets in OG5_127370
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni jumonji/arid domain-containing protein Get druggable targets OG5_127370 All targets in OG5_127370
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Onchocerca volvulus Polycomb protein Sfmbt homolog Get druggable targets OG5_131594 All targets in OG5_131594
Candida albicans similar to S. cerevisiae YJR119C Get druggable targets OG5_127370 All targets in OG5_127370
Schistosoma japonicum expressed protein Get druggable targets OG5_127370 All targets in OG5_127370
Schistosoma mansoni jumonji/arid domain-containing protein Get druggable targets OG5_127370 All targets in OG5_127370
Schistosoma japonicum IPR011011,Zinc finger, FYVE/PHD-type,domain-containing Get druggable targets OG5_127370 All targets in OG5_127370
Brugia malayi mbt repeat family protein Get druggable targets OG5_131594 All targets in OG5_131594
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) Get druggable targets OG5_133554 All targets in OG5_133554
Babesia bovis jmjC transcription factor, putative Get druggable targets OG5_127370 All targets in OG5_127370
Echinococcus multilocularis SAM and MBT domain containing protein Get druggable targets OG5_133554 All targets in OG5_133554
Candida albicans similar to S. cerevisiae YJR119C Get druggable targets OG5_127370 All targets in OG5_127370
Echinococcus granulosus lysine specific demethylase 5A Get druggable targets OG5_127370 All targets in OG5_127370
Echinococcus granulosus Jumonji AT rich interactive domain 1B Get druggable targets OG5_127370 All targets in OG5_127370
Schistosoma japonicum Histone demethylase rbr-2, putative Get druggable targets OG5_127370 All targets in OG5_127370
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127370 All targets in OG5_127370
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D Get druggable targets OG5_127370 All targets in OG5_127370
Neospora caninum hypothetical protein Get druggable targets OG5_127370 All targets in OG5_127370
Schistosoma japonicum Scm-like with four MBT domains protein 1, putative Get druggable targets OG5_133554 All targets in OG5_133554
Toxoplasma gondii hypothetical protein Get druggable targets OG5_127370 All targets in OG5_127370
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B Get druggable targets OG5_127370 All targets in OG5_127370
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus SAM and MBT domain containing protein Get druggable targets OG5_133554 All targets in OG5_133554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131594 All targets in OG5_131594
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0628 0.5988 0.6951
Plasmodium vivax protein kinase, putative 0.003 0.003 0.349
Schistosoma mansoni hypothetical protein 0.0186 0.1585 0.156
Loa Loa (eye worm) hypothetical protein 0.0115 0.0873 0.1684
Echinococcus granulosus lamin 0.0058 0.0312 0.0504
Loa Loa (eye worm) hypothetical protein 0.0057 0.0301 0.0581
Schistosoma mansoni myelin transcription factor 1 myt1 0.0115 0.0873 0.0845
Echinococcus multilocularis Sterile alpha motif type 0.003 0.003 0.0023
Trichomonas vaginalis cgi-62, putative 0.003 0.003 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0276 0.0521
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0547 0.5183 1
Echinococcus granulosus intermediate filament protein 0.0058 0.0312 0.0504
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0115 0.0873 0.1442
Echinococcus multilocularis sterile alpha and tir motif containing protein 0.003 0.003 0.0023
Schistosoma mansoni sex comb on midleg homolog 0.0318 0.2899 0.2878
Echinococcus granulosus liprin alpha 2 0.003 0.003 0.0033
Echinococcus granulosus Sterile alpha motif SAM 0.003 0.003 0.0033
Echinococcus granulosus SAM and MBT domain containing protein 0.0461 0.432 0.7209
Echinococcus multilocularis Sterile alpha motif SAM 0.003 0.003 0.0023
Echinococcus granulosus liprin alpha 2 0.003 0.003 0.0033
Echinococcus multilocularis SAM and MBT domain containing protein 0.0461 0.432 0.5011
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0628 0.5988 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0276 0.0521
Brugia malayi mbt repeat family protein 0.0547 0.5183 1
Echinococcus granulosus polyhomeotic protein 2 0.003 0.003 0.0033
Loa Loa (eye worm) hypothetical protein 0.003 0.003 0.0059
Echinococcus multilocularis polyhomeotic protein 2 0.003 0.003 0.0023
Echinococcus multilocularis lamin 0.0058 0.0312 0.035
Echinococcus multilocularis geminin 0.0186 0.1585 0.1831
Echinococcus multilocularis polycomb protein SCMH1 0.0318 0.2899 0.3359
Leishmania major hypothetical protein, conserved 0.0028 0.0006 0.5
Echinococcus multilocularis tumor suppressor p53 binding protein 1 0.0392 0.3633 0.4212
Loa Loa (eye worm) jmjC domain-containing protein 0.0164 0.1364 0.2631
Schistosoma mansoni intermediate filament proteins 0.0058 0.0312 0.0282
Brugia malayi cytoplasmic intermediate filament protein 0.0031 0.0042 0.0069
Loa Loa (eye worm) hypothetical protein 0.003 0.003 0.0059
Brugia malayi Sphingomyelin synthase-related 1 0.003 0.003 0.0048
Echinococcus multilocularis chromobox protein 2 0.0236 0.208 0.2407
Echinococcus granulosus lysine specific demethylase 5A 0.0111 0.084 0.1387
Schistosoma mansoni phd finger protein 0.0049 0.0216 0.0186
Echinococcus granulosus chromobox protein 2 0.0236 0.208 0.3463
Echinococcus multilocularis lysine specific demethylase 5A 0.0093 0.0654 0.0749
Schistosoma mansoni chromobox protein 0.0236 0.208 0.2056
Brugia malayi intermediate filament protein 0.0058 0.0312 0.0591
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0892 0.861 1
Schistosoma mansoni hypothetical protein 0.0186 0.1585 0.156
Echinococcus granulosus lamin dm0 0.0058 0.0312 0.0504
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0039 0.0116 0.4434
Echinococcus multilocularis musashi 0.0058 0.0312 0.035
Echinococcus granulosus polycomb protein SCMH1 0.0318 0.2899 0.4832
Echinococcus multilocularis histone acetyltransferase myst3 0.0049 0.0216 0.0238
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0276 0.0532
Toxoplasma gondii PLU-1 family protein 0.0053 0.0254 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0312 0.0602
Loa Loa (eye worm) tnks protein 0.003 0.003 0.0059
Echinococcus granulosus histone acetyltransferase myst3 0.0049 0.0216 0.0343
Loa Loa (eye worm) hypothetical protein 0.003 0.003 0.0059
Loa Loa (eye worm) toll and interleukin 1 receptor domain-containing protein isoform f 0.003 0.003 0.0059
Loa Loa (eye worm) hypothetical protein 0.0547 0.5183 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0115 0.0873 0.1003
Trypanosoma brucei Present in the outer mitochondrial membrane proteome 24 0.003 0.003 1
Echinococcus granulosus polyhomeotic proximal chromatin protein 0.003 0.003 0.0033
Echinococcus granulosus Sterile alpha motif type 0.003 0.003 0.0033
Loa Loa (eye worm) hypothetical protein 0.0037 0.0103 0.0199
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0032 0.0052 0.0069
Brugia malayi jmjC domain containing protein 0.003 0.0033 0.0052
Brugia malayi AIDA-1b 0.003 0.003 0.0048
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0032 0.0052 0.0022
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0058 0.0312 0.0602
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0137 0.1091 0.1807
Brugia malayi Shank2E 0.003 0.003 0.0048
Trypanosoma cruzi Kinesin-13 5, putative 0.003 0.003 1
Brugia malayi hypothetical protein 0.003 0.003 0.0048
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0032 0.0052 0.0048
Brugia malayi hypothetical protein 0.003 0.003 0.0048
Schistosoma mansoni hypothetical protein 0.0037 0.0103 0.0073
Loa Loa (eye worm) hypothetical protein 0.0028 0.0006 0.0011
Loa Loa (eye worm) hypothetical protein 0.003 0.003 0.0059
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0115 0.0873 0.1675
Trypanosoma brucei SAM domain (Sterile alpha motif), putative 0.003 0.003 1
Trichomonas vaginalis conserved hypothetical protein 0.003 0.003 0.5
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0137 0.1091 0.1256
Onchocerca volvulus 0.0058 0.0312 0.0546
Echinococcus granulosus sphingomyelin synthase protein 1 0.003 0.003 0.0033
Brugia malayi mbt repeat family protein 0.0331 0.3028 0.5838
Echinococcus granulosus pdz domain containing protein 0.003 0.003 0.0033
Plasmodium vivax JmjC domain containing protein 0.0035 0.0077 1
Schistosoma mansoni lamin 0.0058 0.0312 0.0282
Schistosoma mansoni lamin 0.0058 0.0312 0.0282
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0103 0.0188
Loa Loa (eye worm) intermediate filament protein 0.0058 0.0312 0.0602
Echinococcus granulosus histone acetyltransferase MYST2 0.0115 0.0873 0.1442
Echinococcus multilocularis liprin alpha 2 0.003 0.003 0.0023
Loa Loa (eye worm) hypothetical protein 0.0028 0.0011 0.0021
Loa Loa (eye worm) hypothetical protein 0.003 0.003 0.0059
Brugia malayi Intermediate filament tail domain containing protein 0.0058 0.0312 0.0591
Schistosoma mansoni sex comb on midleg homolog 0.0318 0.2899 0.2878
Echinococcus multilocularis liprin alpha 2 0.003 0.003 0.0023
Brugia malayi sterile alpha and TIR motif containing protein 1 isoform a 0.003 0.003 0.0048
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0461 0.432 0.4303
Toxoplasma gondii hypothetical protein 0.0031 0.0035 0.1173
Schistosoma mansoni jumonji domain containing protein 0.003 0.0033 0.0002
Echinococcus multilocularis pdz domain containing protein 0.003 0.003 0.0023
Plasmodium falciparum JmjC domain-containing protein, putative 0.0035 0.0077 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0111 0.084 0.0812
Brugia malayi bicaudal-C 0.003 0.003 0.0048
Echinococcus multilocularis lamin dm0 0.0058 0.0312 0.035
Brugia malayi jmjC domain containing protein 0.0164 0.1364 0.2623
Brugia malayi CHD4 protein 0.0032 0.0052 0.0089
Loa Loa (eye worm) hypothetical protein 0.003 0.003 0.0059
Trichomonas vaginalis c2h2 zinc finger protein, putative 0.003 0.003 0.5
Echinococcus multilocularis histone acetyltransferase MYST2 0.0115 0.0873 0.1003
Loa Loa (eye worm) hypothetical protein 0.003 0.003 0.0059
Schistosoma mansoni hypothetical protein 0.0392 0.3633 0.3614
Brugia malayi Liprin-alpha 2 0.003 0.003 0.0048
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.003 0.0033 0.0037
Brugia malayi cask-interacting protein 2 0.003 0.003 0.0048
Trypanosoma cruzi hypothetical protein 0.003 0.003 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0111 0.084 0.0812
Brugia malayi coiled-coil like protein 1 0.003 0.003 0.0048
Onchocerca volvulus 0.0361 0.3329 0.6402
Giardia lamblia Kinesin-13 0.003 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.003 0.0059
Loa Loa (eye worm) hypothetical protein 0.0055 0.0276 0.0532
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0031 0.0042 0.008
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.003 0.0033 0.0026
Echinococcus multilocularis polyhomeotic proximal chromatin protein 0.003 0.003 0.0023
Echinococcus granulosus tumor suppressor p53 binding protein 1 0.0392 0.3633 0.606
Loa Loa (eye worm) mbt repeat family protein 0.0331 0.3028 0.5843
Echinococcus multilocularis sphingomyelin synthase protein 1 0.003 0.003 0.0023
Echinococcus granulosus geminin 0.0186 0.1585 0.2635
Loa Loa (eye worm) AIDA-1b 0.003 0.003 0.0059
Trypanosoma cruzi Kinesin-13 5, putative 0.003 0.003 1
Loa Loa (eye worm) MBCTL1 0.0115 0.0873 0.1684
Giardia lamblia Giardia trophozoite antigen GTA-1 0.003 0.003 0.5
Onchocerca volvulus 0.0058 0.0312 0.0546
Loa Loa (eye worm) CHromoDomain protein family member 0.0032 0.0052 0.01
Echinococcus granulosus sterile alpha and tir motif containing protein 0.003 0.003 0.0033

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 55 % Inhibition of GST-fused L3MBTL1 3xMBT domain (unknown origin) expressed in Escherichia coli BL21 (DE3) pLysS cells/biotinylated H4K20Me1 peptide interaction assessed as binding of L3MBT1 repeats to H4K20Me1 at 25 uM by pull-down assay based western blot analysis ChEMBL. No reference
Activity (binding) = 79 % Inhibition of GST-fused L3MBTL1 3xMBT domain (unknown origin) expressed in Escherichia coli BL21 (DE3) pLysS cells/biotinylated H4K20Me1 peptide interaction assessed as binding of L3MBT1 repeats to H4K20Me1 at 5 uM by pull-down assay based western blot analysis ChEMBL. No reference
Activity (binding) = 94 % Inhibition of GST-fused L3MBTL1 3xMBT domain (unknown origin) expressed in Escherichia coli BL21 (DE3) pLysS cells/biotinylated H4K20Me1 peptide interaction assessed as binding of L3MBT1 repeats to H4K20Me1 at 1 uM by pull-down assay based western blot analysis ChEMBL. No reference
IC50 (binding) Binding affinity to CBX7 by chemiluminescent assay ChEMBL. 21417280
IC50 (binding) Binding affinity to human SFMBT by chemiluminescent assay ChEMBL. 21417280
IC50 (binding) Binding affinity to MBTD1 by chemiluminescent assay ChEMBL. 21417280
IC50 (binding) Binding affinity to PHF13 by chemiluminescent assay ChEMBL. 21417280
IC50 (binding) = 2.8 uM Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under dark condition for 30 mins by AlphaScreen assay ChEMBL. 24466405
IC50 (binding) = 3.1 uM Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay ChEMBL. 24040942
IC50 (binding) = 4.2 uM Inhibition of L3MBTL1 (unknown origin) after 30 mins by AlphaScreen assay ChEMBL. 24040942
IC50 (binding) = 4.7 uM Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins by LNCE-TR-FRET assay ChEMBL. 24040942
IC50 (binding) = 4.8 uM Antagonist activity at His-tagged L3MBTL3 (unknown origin) assessed as inhibition of L3MBTL3/biotinylated H4K20Me2 peptide interaction after 30 mins by AlphaScreen assay ChEMBL. No reference
IC50 (binding) = 6 uM Binding affinity to human L3MBTL1 by chemiluminescent assay ChEMBL. 21417280
IC50 (binding) = 7.9 uM Antagonist activity at N-terminal His6-tagged L3MBTL1 (unknown origin) expressed in Escherichia coli BL21 Codon Plus RIL cells assessed as inhibition of L3MBTL1/biotinylated H4K20Me1 peptide interaction after 30 mins by AlphaScreen assay ChEMBL. No reference
IC50 (binding) > 10 uM Inhibition of SFMBT1 (unknown origin) after 30 mins by AlphaScreen assay ChEMBL. 24040942
IC50 (binding) > 10 uM Inhibition of L3MBTL4 (unknown origin) after 30 mins by AlphaScreen assay ChEMBL. 24040942
IC50 (binding) > 10 uM Inhibition of JARID1A (unknown origin) after 30 mins by AlphaScreen assay ChEMBL. 24040942
IC50 (binding) > 10 uM Inhibition of PHF23 (unknown origin) after 30 mins by AlphaScreen assay ChEMBL. 24040942
IC50 (binding) > 10 uM Inhibition of UHRF1 (unknown origin) after 30 mins by AlphaScreen assay ChEMBL. 24040942
IC50 (binding) > 10 uM Inhibition of 53BP1 (unknown origin) after 30 mins by AlphaScreen assay ChEMBL. 24040942
IC50 (binding) > 10 uM Inhibition of CBX7 (unknown origin) after 30 mins by AlphaScreen assay ChEMBL. 24040942
IC50 (binding) > 10 uM Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay ChEMBL. 24040942
IC50 (binding) = 21 uM Inhibition of His-tagged L3MBTL1 (unknown origin) using H4K20Me1 as substrate incubated for 30 mins at room temperature followed by incubation under dark condition for 30 mins by AlphaScreen assay ChEMBL. 24466405
IC50 (binding) > 30 uM Inhibition of GST-tagged PHF23 (unknown origin) using H3K4Me3 as substrate incubated for 30 mins at room temperature followed by incubation under dark condition for 30 mins by AlphaScreen assay ChEMBL. 24466405
IC50 (binding) > 30 uM Inhibition of GST-tagged Jarid1A (unknown origin) using H3K4Me3 as substrate incubated for 30 mins at room temperature followed by incubation under dark condition for 30 mins by AlphaScreen assay ChEMBL. 24466405
IC50 (binding) > 30 uM Inhibition of UHRF1 tandem tudor domain (121 to 286) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H3K9Me3 as substrate incubated for 30 mins at room temperature followed by incubation under dark condition for 30 mins by AlphaScreen assay ChEMBL. 24466405
IC50 (binding) > 30 uM Inhibition of CBX7 (8 to 62) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H3K9Me3 as substrate incubated for 30 mins at room temperature followed by incubation under dark condition for 30 mins by AlphaScreen assay ChEMBL. 24466405
IC50 (binding) > 30 uM Inhibition of 53BP1 (1485 to 1611) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me2 as substrate incubated for 30 mins at room temperature followed by incubation under dark condition for 30 mins by AlphaScreen assay ChEMBL. 24466405
IC50 (binding) > 30 uM Antagonist activity at L3MBTL4 (unknown origin) assessed as inhibition of L3MBTL4/biotinylated H2AK36Me1 peptide interaction after 30 mins by AlphaScreen assay ChEMBL. No reference
IC50 (binding) > 30 uM Antagonist activity at MBTD1 (unknown origin) assessed as inhibition of MBTD1/biotinylated H4K20Me1 peptide interaction after 30 mins by AlphaScreen assay ChEMBL. No reference
IC50 (binding) > 30 uM Antagonist activity at SFMBT1 (unknown origin) assessed as inhibition of SFMBT1/biotinylated H3K9Me1 peptide interaction after 30 mins by AlphaScreen assay ChEMBL. No reference
IC50 (binding) > 30 uM Antagonist activity at Flag-tagged CBX7 (unknown origin) assessed as inhibition of CBX7/biotinylated H3K9Me3 peptide interaction after 30 mins by AlphaScreen assay ChEMBL. No reference
IC50 (binding) = 35 uM Binding affinity to L3MBTL3 by chemiluminescent assay ChEMBL. 21417280
IC50 (binding) = 69 uM Binding affinity to L3MBTL4 by chemiluminescent assay ChEMBL. 21417280
IC50 (binding) > 300 uM Inhibition of MBTD1 (130 to 566) (unknown origin) expressed in Escherichia coli BL21 Rosetta DE3 using H4K20Me1 as substrate incubated for 30 mins at room temperature followed by incubation under dark condition for 30 mins by AlphaScreen assay ChEMBL. 24466405
Inhibition (binding) Antagonist activity at SFMBT1 (unknown origin) assessed as inhibition of SFMBT1/biotinylated H3K9Me1 peptide interaction at 30 uM after 30 mins by AlphaScreen assay ChEMBL. No reference
Inhibition (binding) Inhibition of GST-fused L3MBTL1 3xMBT domain (unknown origin) expressed in Escherichia coli BL21 (DE3) pLysS cells/biotinylated H4K20Me1 peptide interaction assessed as binding of L3MBT1 repeats to H4K20Me1 by pull-down assay based western blot analysis ChEMBL. No reference
Inhibition (binding) = 9 % Antagonist activity at Flag-tagged CBX7 (unknown origin) assessed as inhibition of CBX7/biotinylated H3K9Me3 peptide interaction at 30 uM after 30 mins by AlphaScreen assay ChEMBL. No reference
Inhibition (binding) = 23 % Antagonist activity at MBTD1 (unknown origin) assessed as inhibition of MBTD1/biotinylated H4K20Me1 peptide interaction at 30 uM after 30 mins by AlphaScreen assay ChEMBL. No reference
Inhibition (binding) = 41 % Antagonist activity at L3MBTL4 (unknown origin) assessed as inhibition of L3MBTL4/biotinylated H2AK36Me1 peptide interaction at 30 uM after 30 mins by AlphaScreen assay ChEMBL. No reference
Kd (binding) = 5 uM Binding affinity to human L3MBTL1 assessed as dissociation constant by isothermal titration calorimetric assay ChEMBL. 21417280
Kd (binding) = 8.6 uM Binding affinity to L3MBTL1 (unknown origin) by isothermal titration calorimetry ChEMBL. No reference
Kd (binding) = 10 uM Displacement of FAM-AHA-ARTKQTARK(Me)STGGKA-CO2H from human L3MBTL1 assessed as apparent dissociation constant after 20 mins by FP-displacement Assay ChEMBL. 21417280

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

3 literature references were collected for this gene.

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