BAY-598 4μM R05 exp220 [The Human Chemical-Genetic Interaction Map Project]

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====== BAY-598 4μM R05 exp220 ======
==== Mechanism of Action ====
Inhibits SMYD2 lysine methyltransferase that acts on H3K4me, H3K36me, p53 and other substrates
  * **<color #00a2e8>Class / Subclass 1:</color>** Gene Regulation / Epigenetic Inhibitor




==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%N-[(4S)-2-[N-Cyano-N'-[3-(difluoromethoxy)phenyl]carbamimidoyl]-5-(3,4-dichlorophenyl)-3,4-dihydropyrazol-4-yl]-N-ethyl-2-hydroxyacetamide%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 1906919-67-2
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/117072551|117072551]]
    * **<color #00a2e8>IUPAC:</color>** %%N-[(4S)-2-[N-cyano-N'-[3-(difluoromethoxy)phenyl]carbamimidoyl]-5-(3,4-dichlorophenyl)-3,4-dihydropyrazol-4-yl]-N-ethyl-2-hydroxyacetamide%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1
    * **<color #00a2e8>INCHI Key:</color>** OTTJIRVZJJGFTK-SFHVURJKSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 525.3
    * **<color #00a2e8>Canonical SMILES:</color>** CCN(C1CN(N=C1C2=CC(=C(C=C2)Cl)Cl)C(=NC3=CC(=CC=C3)OC(F)F)NC#N)C(=O)CO
    * **<color #00a2e8>Isomeric SMILES:</color>** CCN([C@H]1CN(N=C1C2=CC(=C(C=C2)Cl)Cl)C(=NC3=CC(=CC=C3)OC(F)F)NC#N)C(=O)CO
    * **<color #00a2e8>Molecular Formula:</color>** C22H20Cl2F2N6O3
{{:chemogenomics:structures:chem-0126.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Structural Genomics Consortium
    * **<color #00a2e8>Catalog #:</color>** N/A
    * **<color #00a2e8>Lot #:</color>** N/A
</panel>


<panel title='Compound Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C22H20Cl2F2N6O3 525.10148; found 525.10136
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** Bay598
    * **<color #00a2e8>Min:</color>** -10.2518; **<color #00a2e8>Max:</color>** 7.1534
{{:chemogenomics:dose_response:dr_71.png?nolink&500 |}}
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|< 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    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 05
    * **<color #00a2e8>Dose</color>**: 4µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 7.5
    * **<color #00a2e8>Numbers of reads</color>**: 14873510


==== 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^
|0/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/BAY-598_4uM_Round-5_exp220.txt|Scores]]</color>|<button type="primary" size="sm" modal="ScorePlot">View</button>|<button type="primary" size="sm" modal="modal_hits">View</button>|<button type="primary" size="sm" modal="modal_screen_similarity">View</button>|<button type="default" size="sm" modal="modal_go_sensitive">View</button>|<button type="default" size="sm" modal="modal_go_resistant">View</button>|
<modal id='ScorePlot' size='lg' title='BAY-598 4μM R05 exp220'>
{{:chemogenomics:cranks_plots:exp220.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:C:CDIPT|CDIPT]]|-2.74|0.30|
|[[:human_genes:C:CTRB2|CTRB2]]|-2.36|0.30|
|[[:human_genes:O:OR2M4|OR2M4]]|-2.35|0.30|
|[[:human_genes:D:DEXI|DEXI]]|-2.22|0.45|
|[[:human_genes:E:ENO1|ENO1]]|-2.18|0.45|
|[[:human_genes:Q:QRICH1|QRICH1]]|-2.17|0.78|
|[[:human_genes:S:SERPINA10|SERPINA10]]|-2.16|0.45|
|[[:human_genes:P:PSG9|PSG9]]|-2.14|0.68|
|[[:human_genes:F:FASTKD1|FASTKD1]]|-2.10|0.55|
|[[:human_genes:E:ERCC2|ERCC2]]|-2.07|0.81|
|[[:human_genes:R:ROCK2|ROCK2]]|-2.07|0.75|
|[[:human_genes:V:VPS25|VPS25]]|-2.05|0.85|
|[[:human_genes:N:NHLRC2|NHLRC2]]|-2.05|0.78|
|[[:human_genes:S:SRP14|SRP14]]|-2.02|0.68|
|[[:human_genes:S:SMO|SMO]]|-1.98|0.75|
|[[:human_genes:E:EGLN1|EGLN1]]|-1.95|0.75|
|[[:human_genes:N:NUDT5|NUDT5]]|-1.94|0.78|
|[[:human_genes:T:TIGD1|TIGD1]]|-1.93|0.78|
|[[:human_genes:A:ALDH18A1|ALDH18A1]]|-1.93|0.78|
|[[:human_genes:F:FRK|FRK]]|-1.91|0.78|
|[[:human_genes:E:EEF2|EEF2]]|-1.90|0.88|
|[[:human_genes:H:H3F3B|H3F3B]]|-1.90|0.79|
|[[:human_genes:Z:ZRSR2|ZRSR2]]|-1.89|0.78|
|[[:human_genes:C:CCDC146|CCDC146]]|-1.88|0.78|
|[[:human_genes:G:GIGYF2|GIGYF2]]|-1.86|0.81|
|[[:human_genes:N:NAE1|NAE1]]|-1.86|0.79|
|[[:human_genes:S:STAG2|STAG2]]|-1.86|0.78|
|[[:human_genes:O:OR4P4|OR4P4]]|-1.86|0.78|
|[[:human_genes:T:TBCD|TBCD]]|-1.85|0.79|
|[[:human_genes:S:SHMT1|SHMT1]]|-1.82|0.78|
|[[:human_genes:N:NUP153|NUP153]]|1.98|0.62|
|[[:human_genes:A:ANKMY1|ANKMY1]]|1.98|0.55|
|[[:human_genes:R:RFC1|RFC1]]|2.00|0.72|
|[[:human_genes:R:RPL10|RPL10]]|2.00|0.72|
|[[:human_genes:P:PTCH1|PTCH1]]|2.02|0.57|
|[[:human_genes:N:NEFM|NEFM]]|2.03|0.65|
|[[:human_genes:C:CEP192|CEP192]]|2.04|0.70|
|[[:human_genes:D:DPYD|DPYD]]|2.04|0.50|
|[[:human_genes:N:NAA40|NAA40]]|2.06|0.65|
|[[:human_genes:P:PMM1|PMM1]]|2.07|0.49|
|[[:human_genes:S:SCYL3|SCYL3]]|2.08|0.49|
|[[:human_genes:K:KCNT1|KCNT1]]|2.10|0.49|
|[[:human_genes:N:NUP160|NUP160]]|2.11|0.72|
|[[:human_genes:X:XPNPEP2|XPNPEP2]]|2.11|0.49|
|[[:human_genes:S:SUPT6H|SUPT6H]]|2.12|0.68|
|[[:human_genes:N:NDC1|NDC1]]|2.12|0.49|
|[[:human_genes:L:LY6G5B|LY6G5B]]|2.14|0.49|
|[[:human_genes:G:GLIS1|GLIS1]]|2.15|0.50|
|[[:human_genes:D:DHX38|DHX38]]|2.16|0.65|
|[[:human_genes:K:KRTAP4-8|KRTAP4-8]]|2.17|0.65|
|[[:human_genes:L:LCA5|LCA5]]|2.17|0.49|
|[[:human_genes:P:PSMA7|PSMA7]]|2.34|0.65|
|[[:human_genes:N:NGDN|NGDN]]|2.35|0.57|
|[[:human_genes:S:SF3B3|SF3B3]]|2.37|0.65|
|[[:human_genes:F:FNBP1L|FNBP1L]]|2.37|0.49|
|[[:human_genes:K:KIFC1|KIFC1]]|2.42|0.49|
|[[:human_genes:A:ADSS|ADSS]]|2.42|0.55|
|[[:human_genes:A:ARHGEF35|ARHGEF35]]|2.44|0.49|
|[[:human_genes:R:RPSA|RPSA]]|2.62|0.65|
|[[:human_genes:P:PSMC3|PSMC3]]|2.96|0.50|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp209|Deguelin 0.15μM R05 exp209]]|0.053|<button type="primary" size="small" modal="1">View</button>|
</modal>


<modal id="1" size="lg" title="BAY-598 4μM R05 exp220  vs  Deguelin 0.15μM R05 exp209">
{{:chemogenomics:comparison_plots:exp209_vs_exp220.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">No GO term hits below threshold. (FDR <0.05)</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">No GO term hits below threshold. (FDR <0.05)</modal>