BVD-523 15μM R02 exp67 [The Human Chemical-Genetic Interaction Map Project]

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====== BVD-523 15μM R02 exp67 ======
==== Mechanism of Action ====
Inhibits ERK1/2, ATP-competitive
  * **<color #00a2e8>Class / Subclass 1:</color>** Signal Transduction / Kinase Inhibitor




==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Protein References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%Ulixertinib%%
    * **<color #00a2e8>Synonyms:</color>** BVD-523; VRT752271
    * **<color #00a2e8>CAS #:</color>** 869886-67-9
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/11719003|11719003]]
    * **<color #00a2e8>IUPAC:</color>** %%N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyridin-4-yl]-1H-pyrrole-2-carboxamide%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1
    * **<color #00a2e8>INCHI Key:</color>** KSERXGMCDHOLSS-LJQANCHMSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 433.3
    * **<color #00a2e8>Canonical SMILES:</color>** CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)NC(CO)C3=CC(=CC=C3)Cl)Cl
    * **<color #00a2e8>Isomeric SMILES:</color>** CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl
    * **<color #00a2e8>Molecular Formula:</color>** C21H22Cl2N4O2
{{:chemogenomics:structures:chem-0043.svg?nolink}}
</panel>


<panel title='Protein Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Selleck Chemicals
    * **<color #00a2e8>Catalog #:</color>** S7854
    * **<color #00a2e8>Lot #:</color>** S785401
</panel>


<panel title='Protein Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C21H22Cl2N4O2 433.11926; found 433.1203
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** BVD-523
    * **<color #00a2e8>Min:</color>** -21.4275; **<color #00a2e8>Max:</color>** 66.0260
{{:chemogenomics:dose_response:dr_34.png?nolink&500 |}}
\\ 
\\ 
\\ 
\\ 
|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |17.1654    |
| IC30  |17.9440    |
| IC40  |18.6085    |
| IC50  |19.2400    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 02
    * **<color #00a2e8>Dose</color>**: 15µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 1.0
    * **<color #00a2e8>Numbers of reads</color>**: 12552010


==== 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^
|33/19|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/BVD-523_15uM_Round-2_exp67.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="primary" size="sm" modal="modal_go_resistant">View</button>|
<modal id='ScorePlot' size='lg' title='BVD-523 15μM R02 exp67'>
{{:chemogenomics:cranks_plots:exp67.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:P:PCYT1A|PCYT1A]]|-3.87|<0.01|
|[[:human_genes:Y:YPEL5|YPEL5]]|-3.79|<0.01|
|[[:human_genes:F:FLVCR1|FLVCR1]]|-3.58|<0.01|
|[[:human_genes:T:TSC2|TSC2]]|-3.57|<0.01|
|[[:human_genes:C:CEPT1|CEPT1]]|-3.34|<0.01|
|[[:human_genes:O:OTUB1|OTUB1]]|-3.23|<0.01|
|[[:human_genes:P:PSMA3|PSMA3]]|-3.12|0.01|
|[[:human_genes:T:TCF3|TCF3]]|-2.97|0.01|
|[[:human_genes:I:IKZF2|IKZF2]]|-2.94|<0.01|
|[[:human_genes:W:WDR26|WDR26]]|-2.92|0.01|
|[[:human_genes:N:NPRL3|NPRL3]]|-2.92|0.01|
|[[:human_genes:P:PCGF1|PCGF1]]|-2.88|<0.01|
|[[:human_genes:U:UBE2E1|UBE2E1]]|-2.86|<0.01|
|[[:human_genes:P:PDS5B|PDS5B]]|-2.79|<0.01|
|[[:human_genes:S:SLC5A3|SLC5A3]]|-2.75|<0.01|
|[[:human_genes:G:GPR107|GPR107]]|-2.73|<0.01|
|[[:human_genes:F:FAM122A|FAM122A]]|-2.68|<0.01|
|[[:human_genes:S:SOX4|SOX4]]|-2.65|0.04|
|[[:human_genes:M:MUL1|MUL1]]|-2.62|0.02|
|[[:human_genes:D:DEPDC5|DEPDC5]]|-2.62|0.01|
|[[:human_genes:R:RUVBL2|RUVBL2]]|-2.59|0.38|
|[[:human_genes:S:SREK1|SREK1]]|-2.54|0.05|
|[[:human_genes:T:TCF4|TCF4]]|-2.54|0.02|
|[[:human_genes:Y:YIPF5|YIPF5]]|-2.46|0.02|
|[[:human_genes:C:CNOT8|CNOT8]]|-2.45|0.02|
|[[:human_genes:Z:ZFAND5|ZFAND5]]|-2.43|0.04|
|[[:human_genes:T:TSSC1|TSSC1]]|-2.38|0.04|
|[[:human_genes:U:UNC50|UNC50]]|-2.35|0.04|
|[[:human_genes:E:ELMSAN1|ELMSAN1]]|-2.33|0.04|
|[[:human_genes:F:FIS1|FIS1]]|-2.32|0.04|
|[[:human_genes:S:SPATA17|SPATA17]]|2.26|0.07|
|[[:human_genes:B:BRCC3|BRCC3]]|2.28|0.09|
|[[:human_genes:Z:ZNF608|ZNF608]]|2.28|0.06|
|[[:human_genes:K:KMT2D|KMT2D]]|2.29|0.06|
|[[:human_genes:Z:ZRSR2|ZRSR2]]|2.32|0.08|
|[[:human_genes:P:PDCD5|PDCD5]]|2.33|0.05|
|[[:human_genes:F:FKBPL|FKBPL]]|2.37|0.04|
|[[:human_genes:M:MRAS|MRAS]]|2.37|0.07|
|[[:human_genes:N:NRG2|NRG2]]|2.37|0.04|
|[[:human_genes:I:ID4|ID4]]|2.38|0.04|
|[[:human_genes:U:UBR5|UBR5]]|2.39|0.09|
|[[:human_genes:I:IMPDH2|IMPDH2]]|2.43|0.06|
|[[:human_genes:P:PKNOX1|PKNOX1]]|2.44|0.09|
|[[:human_genes:D:DDX42|DDX42]]|2.47|0.03|
|[[:human_genes:Y:YARS|YARS]]|2.53|0.10|
|[[:human_genes:T:TRIP12|TRIP12]]|2.56|0.02|
|[[:human_genes:K:KANSL1|KANSL1]]|2.76|0.03|
|[[:human_genes:S:SCAF8|SCAF8]]|2.79|<0.01|
|[[:human_genes:T:TRIM28|TRIM28]]|2.95|<0.01|
|[[:human_genes:C:CSNK2A1|CSNK2A1]]|2.99|<0.01|
|[[:human_genes:P:PPP2R2A|PPP2R2A]]|2.99|<0.01|
|[[:human_genes:N:NSD1|NSD1]]|3.18|<0.01|
|[[:human_genes:F:FBXO11|FBXO11]]|3.20|<0.01|
|[[:human_genes:C:CSNK2B|CSNK2B]]|3.20|<0.01|
|[[:human_genes:B:BAK1|BAK1]]|3.35|<0.01|
|[[:human_genes:P:PPME1|PPME1]]|3.60|<0.01|
|[[:human_genes:T:TFAP4|TFAP4]]|3.74|<0.01|
|[[:human_genes:P:PPP6C|PPP6C]]|4.10|<0.01|
|[[:human_genes:T:TIPRL|TIPRL]]|4.51|<0.01|
|[[:human_genes:L:LCMT1|LCMT1]]|5.45|<0.01|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp217|Mdivi-1 15μM R05 exp217]]|0.118|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp80|RO-3307 4.7μM R02 exp80]]|0.099|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp59|UMK57 1μM R01 exp59]]|0.098|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp445|∆-9-Tetrahydrocannabinol 30μM R08 exp445]]|0.093|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp502|Milciclib 2μM R08 exp502]]|0.079|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp500|LY2090314 0.003μM R08 exp500 no dilution day6]]|0.078|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp269|Bisphenol A 100μM R06 exp269]]|0.075|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp466|Cannabidiol 20μM R08 exp466]]|0.072|<button type="primary" size="small" modal="8">View</button>|
|[[:results:exp435|JQ1 0.8μM R08 exp435]]|0.071|<button type="primary" size="small" modal="9">View</button>|
|[[:results:exp90|WYE-354 6μM R02 exp90]]|0.07|<button type="primary" size="small" modal="10">View</button>|
|[[:results:exp357|Dorsomorphin 5μM R07 exp357]]|0.07|<button type="primary" size="small" modal="11">View</button>|
|[[:results:exp106|UM131593 0.2μM R03 exp106]]|0.066|<button type="primary" size="small" modal="12">View</button>|
|[[:results:exp85|UM0129480 7μM R02 exp85]]|0.066|<button type="primary" size="small" modal="13">View</button>|
|[[:results:exp515|PU-H71 1μM R08 exp515]]|0.065|<button type="primary" size="small" modal="14">View</button>|
|[[:results:exp226|Cerivastatin 0.15μM R05 exp226]]|0.064|<button type="primary" size="small" modal="15">View</button>|
|[[:results:exp517|Quercetin 20μM R08 exp517]]|0.063|<button type="primary" size="small" modal="16">View</button>|
|[[:results:exp343|Centrinone 0.5μM R07 exp343]]|0.062|<button type="primary" size="small" modal="17">View</button>|
|[[:results:exp224|CB-839 10μM R05 exp224]]|0.061|<button type="primary" size="small" modal="18">View</button>|
|[[:results:exp468|CB-5083 0.4μM R08 exp468]]|0.058|<button type="primary" size="small" modal="19">View</button>|
|[[:results:exp227|Cryptotanshinone 12μM R05 exp227]]|0.058|<button type="primary" size="small" modal="20">View</button>|
|[[:results:exp499|LY2090314 0.003μM R08 exp499]]|0.058|<button type="primary" size="small" modal="21">View</button>|
|[[:results:exp282|Fluvastatin 2.2μM R06 exp282]]|0.057|<button type="primary" size="small" modal="22">View</button>|
|[[:results:exp294|Nutlin-3A 1.6μM R06 exp294]]|0.057|<button type="primary" size="small" modal="23">View</button>|
|[[:results:exp356|Docosahexaenoic-acid 50μM R07 exp356]]|0.057|<button type="primary" size="small" modal="24">View</button>|
|[[:results:exp510|Nicotine 3000μM R08 exp510]]|0.054|<button type="primary" size="small" modal="25">View</button>|
|[[:results:exp28|Pimelic-diphenylamide-106 5μM R00 exp28]]|0.054|<button type="primary" size="small" modal="26">View</button>|
|[[:results:exp359|FK-506 30μM R07 exp359]]|0.053|<button type="primary" size="small" modal="27">View</button>|
|[[:results:exp78|Pterostilbene 16μM R02 exp78]]|0.053|<button type="primary" size="small" modal="28">View</button>|
|[[:results:exp442|Ibrutinib 10μM R08 exp442]]|0.051|<button type="primary" size="small" modal="29">View</button>|
|[[:results:exp460|BML-284 0.09μM R08 exp460]]|0.107|<button type="primary" size="small" modal="30">View</button>|
|[[:results:exp312|2-Methoxyestradiol 0.55 to 1μM on day4 R07 exp312]]|0.084|<button type="primary" size="small" modal="31">View</button>|
|[[:results:exp440|Aphidicolin 0.4μM R08 exp440]]|0.054|<button type="primary" size="small" modal="32">View</button>|
|[[:results:exp311|2-Methoxyestradiol 0.55 to 0.75μM  on day4 R07 exp311]]|0.051|<button type="primary" size="small" modal="33">View</button>|
</modal>


<modal id="1" size="lg" title="BVD-523 15μM R02 exp67  vs  Mdivi-1 15μM R05 exp217">
{{:chemogenomics:comparison_plots:exp217_vs_exp67.png?nolink |}}
</modal>

<modal id="2" size="lg" title="BVD-523 15μM R02 exp67  vs  RO-3307 4.7μM R02 exp80">
{{:chemogenomics:comparison_plots:exp67_vs_exp80.png?nolink |}}
</modal>

<modal id="3" size="lg" title="BVD-523 15μM R02 exp67  vs  UMK57 1μM R01 exp59">
{{:chemogenomics:comparison_plots:exp59_vs_exp67.png?nolink |}}
</modal>

<modal id="4" size="lg" title="BVD-523 15μM R02 exp67  vs  ∆-9-Tetrahydrocannabinol 30μM R08 exp445">
{{:chemogenomics:comparison_plots:exp445_vs_exp67.png?nolink |}}
</modal>

<modal id="5" size="lg" title="BVD-523 15μM R02 exp67  vs  Milciclib 2μM R08 exp502">
{{:chemogenomics:comparison_plots:exp502_vs_exp67.png?nolink |}}
</modal>

<modal id="6" size="lg" title="BVD-523 15μM R02 exp67  vs  LY2090314 0.003μM R08 exp500 no dilution day6">
{{:chemogenomics:comparison_plots:exp500_vs_exp67.png?nolink |}}
</modal>

<modal id="7" size="lg" title="BVD-523 15μM R02 exp67  vs  Bisphenol A 100μM R06 exp269">
{{:chemogenomics:comparison_plots:exp269_vs_exp67.png?nolink |}}
</modal>

<modal id="8" size="lg" title="BVD-523 15μM R02 exp67  vs  Cannabidiol 20μM R08 exp466">
{{:chemogenomics:comparison_plots:exp466_vs_exp67.png?nolink |}}
</modal>

<modal id="9" size="lg" title="BVD-523 15μM R02 exp67  vs  JQ1 0.8μM R08 exp435">
{{:chemogenomics:comparison_plots:exp435_vs_exp67.png?nolink |}}
</modal>

<modal id="10" size="lg" title="BVD-523 15μM R02 exp67  vs  WYE-354 6μM R02 exp90">
{{:chemogenomics:comparison_plots:exp67_vs_exp90.png?nolink |}}
</modal>

<modal id="11" size="lg" title="BVD-523 15μM R02 exp67  vs  Dorsomorphin 5μM R07 exp357">
{{:chemogenomics:comparison_plots:exp357_vs_exp67.png?nolink |}}
</modal>

<modal id="12" size="lg" title="BVD-523 15μM R02 exp67  vs  UM131593 0.2μM R03 exp106">
{{:chemogenomics:comparison_plots:exp106_vs_exp67.png?nolink |}}
</modal>

<modal id="13" size="lg" title="BVD-523 15μM R02 exp67  vs  UM0129480 7μM R02 exp85">
{{:chemogenomics:comparison_plots:exp67_vs_exp85.png?nolink |}}
</modal>

<modal id="14" size="lg" title="BVD-523 15μM R02 exp67  vs  PU-H71 1μM R08 exp515">
{{:chemogenomics:comparison_plots:exp515_vs_exp67.png?nolink |}}
</modal>

<modal id="15" size="lg" title="BVD-523 15μM R02 exp67  vs  Cerivastatin 0.15μM R05 exp226">
{{:chemogenomics:comparison_plots:exp226_vs_exp67.png?nolink |}}
</modal>

<modal id="16" size="lg" title="BVD-523 15μM R02 exp67  vs  Quercetin 20μM R08 exp517">
{{:chemogenomics:comparison_plots:exp517_vs_exp67.png?nolink |}}
</modal>

<modal id="17" size="lg" title="BVD-523 15μM R02 exp67  vs  Centrinone 0.5μM R07 exp343">
{{:chemogenomics:comparison_plots:exp343_vs_exp67.png?nolink |}}
</modal>

<modal id="18" size="lg" title="BVD-523 15μM R02 exp67  vs  CB-839 10μM R05 exp224">
{{:chemogenomics:comparison_plots:exp224_vs_exp67.png?nolink |}}
</modal>

<modal id="19" size="lg" title="BVD-523 15μM R02 exp67  vs  CB-5083 0.4μM R08 exp468">
{{:chemogenomics:comparison_plots:exp468_vs_exp67.png?nolink |}}
</modal>

<modal id="20" size="lg" title="BVD-523 15μM R02 exp67  vs  Cryptotanshinone 12μM R05 exp227">
{{:chemogenomics:comparison_plots:exp227_vs_exp67.png?nolink |}}
</modal>

<modal id="21" size="lg" title="BVD-523 15μM R02 exp67  vs  LY2090314 0.003μM R08 exp499">
{{:chemogenomics:comparison_plots:exp499_vs_exp67.png?nolink |}}
</modal>

<modal id="22" size="lg" title="BVD-523 15μM R02 exp67  vs  Fluvastatin 2.2μM R06 exp282">
{{:chemogenomics:comparison_plots:exp282_vs_exp67.png?nolink |}}
</modal>

<modal id="23" size="lg" title="BVD-523 15μM R02 exp67  vs  Nutlin-3A 1.6μM R06 exp294">
{{:chemogenomics:comparison_plots:exp294_vs_exp67.png?nolink |}}
</modal>

<modal id="24" size="lg" title="BVD-523 15μM R02 exp67  vs  Docosahexaenoic-acid 50μM R07 exp356">
{{:chemogenomics:comparison_plots:exp356_vs_exp67.png?nolink |}}
</modal>

<modal id="25" size="lg" title="BVD-523 15μM R02 exp67  vs  Nicotine 3000μM R08 exp510">
{{:chemogenomics:comparison_plots:exp510_vs_exp67.png?nolink |}}
</modal>

<modal id="26" size="lg" title="BVD-523 15μM R02 exp67  vs  Pimelic-diphenylamide-106 5μM R00 exp28">
{{:chemogenomics:comparison_plots:exp28_vs_exp67.png?nolink |}}
</modal>

<modal id="27" size="lg" title="BVD-523 15μM R02 exp67  vs  FK-506 30μM R07 exp359">
{{:chemogenomics:comparison_plots:exp359_vs_exp67.png?nolink |}}
</modal>

<modal id="28" size="lg" title="BVD-523 15μM R02 exp67  vs  Pterostilbene 16μM R02 exp78">
{{:chemogenomics:comparison_plots:exp67_vs_exp78.png?nolink |}}
</modal>

<modal id="29" size="lg" title="BVD-523 15μM R02 exp67  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp442_vs_exp67.png?nolink |}}
</modal>

<modal id="30" size="lg" title="BML-284 0.09μM R08 exp460  vs  BVD-523 15μM R02 exp67">
{{:chemogenomics:comparison_plots:exp460_vs_exp67.png?nolink |}}
</modal>

<modal id="31" size="lg" title="2-Methoxyestradiol 0.55 to 1μM on day4 R07 exp312  vs  BVD-523 15μM R02 exp67">
{{:chemogenomics:comparison_plots:exp312_vs_exp67.png?nolink |}}
</modal>

<modal id="32" size="lg" title="Aphidicolin 0.4μM R08 exp440  vs  BVD-523 15μM R02 exp67">
{{:chemogenomics:comparison_plots:exp440_vs_exp67.png?nolink |}}
</modal>

<modal id="33" size="lg" title="2-Methoxyestradiol 0.55 to 0.75μM  on day4 R07 exp311  vs  BVD-523 15μM R02 exp67">
{{:chemogenomics:comparison_plots:exp311_vs_exp67.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">
^GO Term^Fold Change^Genes^
|disruption by symbiont of host cellular component|552.80|CSNK2B,CSNK2A1|
|DNA repair-dependent chromatin remodeling|97.55|TRIP12,UBR5,BRCC3|
</modal>