====== BRD2 inhibitor II 20μM R07 exp341 ====== ==== Mechanism of Action ==== Inhibits BRD2, blocks recognition of acetylated H4K12 * **Class / Subclass 1:** Gene Regulation / Epigenetic Inhibitor ==== Technical Notes ==== * **PubChem Name:** %%1-[2-(1H-Benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione%% * **Synonyms:** N/A * **CAS #:** 433249-32-2 * **PubChem CID:** [[https://pubchem.ncbi.nlm.nih.gov/compound/672548|672548]] * **IUPAC:** %%1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methylbenzimidazole-2-thione%% * **INCHI Name:** InChI=1S/C17H16N4S2/c1-20-14-8-4-5-9-15(14)21(17(20)22)10-11-23-16-18-12-6-2-3-7-13(12)19-16/h2-9H,10-11H2,1H3,(H,18,19) * **INCHI Key:** KDPSGIFCBZTBEZ-UHFFFAOYSA-N * **Molecular Weight:** 340.5 * **Canonical SMILES:** CN1C2=CC=CC=C2N(C1=S)CCSC3=NC4=CC=CC=C4N3 * **Isomeric SMILES:** N/A * **Molecular Formula:** C17H16N4S2 {{:chemogenomics:structures:chem-0199.svg?nolink}} * **Supplier Name:** Calbiochem * **Catalog #:** 203830 * **Lot #:** N/A * **HRMS (ESI-TOF) m/z:** (M+H)+ Calcd for C17H16N4S2 341.08891; found 341.09007 * **Platform ID:** BRD2_inhibitor_II * **Min:** -10.0210; **Max:** 25.0673 {{:chemogenomics:dose_response:dr_421.png?nolink&500 |}} \\ \\ \\ \\ |< 300px 100px 200px >| ^ IC ^ Concentration (µM) ^ | IC10 |N/A | | IC20 |N/A | | IC30 |N/A | | IC40 |N/A | | IC50 |N/A | | IC60 |N/A | | IC70 |N/A | | IC80 |N/A | | IC90 |N/A | \\ ==== Screen Summary ==== * **Round**: 07 * **Dose**: 20µM * **Days of incubation**: 8 * **Doublings**: 6.7 * **Numbers of reads**: 18711037 ==== Screen Results ==== ^Sensitive/Resistant hits (FDR<0.05)^CRANKS^Score Plot^Top 30 Genes^Screen Similarity^Top 30 Sensitive GO terms^Top 30 Resistant GO terms^ |3/0|[[https://files.tyerslab.com/files/public/chemogenomics/cranks/BRD2_inhibitor_II_20uM_Round-7_exp341.txt|Scores]]|||||| {{:chemogenomics:cranks_plots:exp341.png?nolink}} ^Gene^CRANKS Score^FDR^ |[[:human_genes:K:KDSR|KDSR]]|-3.62|<0.01| |[[:human_genes:F:FLVCR1|FLVCR1]]|-3.31|<0.01| |[[:human_genes:D:DKC1|DKC1]]|-2.69|0.47| |[[:human_genes:C:CEPT1|CEPT1]]|-2.69|0.04| |[[:human_genes:S:SLC5A3|SLC5A3]]|-2.61|0.05| |[[:human_genes:M:MRPS33|MRPS33]]|-2.44|0.15| |[[:human_genes:S:SCAP|SCAP]]|-2.40|0.13| |[[:human_genes:P:PCYT1A|PCYT1A]]|-2.38|0.13| |[[:human_genes:P:PLEKHA3|PLEKHA3]]|-2.31|0.27| |[[:human_genes:T:TSPEAR|TSPEAR]]|-2.30|0.15| |[[:human_genes:R:RTCB|RTCB]]|-2.23|0.35| |[[:human_genes:N:NAE1|NAE1]]|-2.21|0.35| |[[:human_genes:Z:ZIC5|ZIC5]]|-2.21|0.35| |[[:human_genes:T:TBCD|TBCD]]|-2.15|0.39| |[[:human_genes:G:GYPE|GYPE]]|-2.09|0.56| |[[:human_genes:S:SSB|SSB]]|-2.07|0.35| |[[:human_genes:D:DHX30|DHX30]]|-2.05|0.49| |[[:human_genes:L:LEO1|LEO1]]|-2.03|0.39| |[[:human_genes:W:WFDC8|WFDC8]]|-2.01|0.40| |[[:human_genes:A:ATP5J|ATP5J]]|-1.97|0.47| |[[:human_genes:P:PPIP5K2|PPIP5K2]]|-1.96|0.47| |[[:human_genes:P:PHYKPL|PHYKPL]]|-1.96|0.47| |[[:human_genes:C:CEP57|CEP57]]|-1.96|0.47| |[[:human_genes:E:ESX1|ESX1]]|-1.95|0.47| |[[:human_genes:Z:ZNF813|ZNF813]]|-1.95|0.47| |[[:human_genes:F:FOXE3|FOXE3]]|-1.94|0.47| |[[:human_genes:N:NOC3L|NOC3L]]|-1.93|0.69| |[[:human_genes:O:OR11H4|OR11H4]]|-1.93|0.47| |[[:human_genes:Z:ZNF117|ZNF117]]|-1.92|0.49| |[[:human_genes:E:EHF|EHF]]|-1.91|0.47| |[[:human_genes:T:THOC2|THOC2]]|1.88|0.66| |[[:human_genes:D:DBNDD2|DBNDD2]]|1.88|0.66| |[[:human_genes:D:DTX3|DTX3]]|1.92|0.66| |[[:human_genes:I:IL18RAP|IL18RAP]]|1.95|0.66| |[[:human_genes:T:TSR2|TSR2]]|1.97|0.75| |[[:human_genes:I:INTS5|INTS5]]|1.99|0.66| |[[:human_genes:P:PSMC5|PSMC5]]|1.99|0.66| |[[:human_genes:S:SLFN5|SLFN5]]|2.02|0.66| |[[:human_genes:D:DDX47|DDX47]]|2.02|0.66| |[[:human_genes:C:CROCC|CROCC]]|2.03|0.66| |[[:human_genes:C:CKAP5|CKAP5]]|2.04|0.66| |[[:human_genes:U:USP16|USP16]]|2.06|0.66| |[[:human_genes:E:EBNA1BP2|EBNA1BP2]]|2.07|0.66| |[[:human_genes:N:NUP160|NUP160]]|2.08|0.66| |[[:human_genes:D:DOCK6|DOCK6]]|2.09|0.66| |[[:human_genes:P:PDS5B|PDS5B]]|2.11|0.62| |[[:human_genes:M:MCM7|MCM7]]|2.12|0.66| |[[:human_genes:C:CDC73|CDC73]]|2.13|0.66| |[[:human_genes:N:NUP205|NUP205]]|2.14|0.66| |[[:human_genes:M:MDN1|MDN1]]|2.20|0.66| |[[:human_genes:Z:ZNF101|ZNF101]]|2.22|0.53| |[[:human_genes:T:TRA2B|TRA2B]]|2.22|0.66| |[[:human_genes:N:NHSL1|NHSL1]]|2.22|0.62| |[[:human_genes:S:STIL|STIL]]|2.28|0.62| |[[:human_genes:S:SOCS3|SOCS3]]|2.40|0.53| |[[:human_genes:P:PELP1|PELP1]]|2.43|0.66| |[[:human_genes:P:PLRG1|PLRG1]]|2.47|0.53| |[[:human_genes:N:NOP16|NOP16]]|2.53|0.66| |[[:human_genes:H:HOXC13|HOXC13]]|2.54|0.32| |[[:human_genes:P:POLR2L|POLR2L]]|2.96|0.66| ^Screen^Correlation^Plot^ |[[:results:exp375|Lenalidomide 20μM R07 exp375]]|0.076|| |[[:results:exp77|Prochlorperazine 5.2μM R02 exp77]]|0.066|| |[[:results:exp149|SB203580 25μM R03 exp149]]|0.06|| |[[:results:exp348|Cyclosporin-A 3μM R07 exp348]]|0.06|| |[[:results:exp155|UNC1999 2μM R03 exp155]]|0.057|| |[[:results:exp538|ZLN024 50μM R08 exp538]]|0.054|| |[[:results:exp47|Lapatinib 5μM R01 exp47]]|0.053|| |[[:results:exp326|CCT251545 20μM R07 exp326]]|0.053|| |[[:results:exp336|Asunaprenir 3μM R07 exp336]]|0.053|| {{:chemogenomics:comparison_plots:exp341_vs_exp375.png?nolink |}} {{:chemogenomics:comparison_plots:exp341_vs_exp77.png?nolink |}} {{:chemogenomics:comparison_plots:exp149_vs_exp341.png?nolink |}} {{:chemogenomics:comparison_plots:exp341_vs_exp348.png?nolink |}} {{:chemogenomics:comparison_plots:exp155_vs_exp341.png?nolink |}} {{:chemogenomics:comparison_plots:exp341_vs_exp538.png?nolink |}} {{:chemogenomics:comparison_plots:exp341_vs_exp47.png?nolink |}} {{:chemogenomics:comparison_plots:exp326_vs_exp341.png?nolink |}} {{:chemogenomics:comparison_plots:exp336_vs_exp341.png?nolink |}} No GO term hits below threshold. (FDR <0.05) No GO term hits below threshold. (FDR <0.05)