====== CAY10603 0.55μM R08 exp467 ======
==== Mechanism of Action ====
Inhibits HDAC6, selective over other HDACs
  * **<color #00a2e8>Class / Subclass 1:</color>** Gene Regulation / Epigenetic Inhibitor




==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Protein References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%HDAC6 Inhibitor%%
    * **<color #00a2e8>Synonyms:</color>** BML-281
    * **<color #00a2e8>CAS #:</color>** 1045792-66-2
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/24951314|24951314]]
    * **<color #00a2e8>IUPAC:</color>** %%tert-butyl N-[4-[3-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]-1,2-oxazol-5-yl]phenyl]carbamate%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)
    * **<color #00a2e8>INCHI Key:</color>** WWGBHDIHIVGYLZ-UHFFFAOYSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 446.5
    * **<color #00a2e8>Canonical SMILES:</color>** CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO
    * **<color #00a2e8>Isomeric SMILES:</color>** N/A
    * **<color #00a2e8>Molecular Formula:</color>** C22H30N4O6
{{:chemogenomics:structures:chem-0276.svg?nolink}}
</panel>


<panel title='Protein Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Med Chem Express
    * **<color #00a2e8>Catalog #:</color>** HY-18613
    * **<color #00a2e8>Lot #:</color>** 14350
</panel>


<panel title='Protein Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C22H30N4O6 447.22381; found 447.22501
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** CAY10603
    * **<color #00a2e8>Min:</color>** -14.1695; **<color #00a2e8>Max:</color>** 99.7520
{{:chemogenomics:dose_response:dr_513.png?nolink&500 |}}
\\ 
\\ 
\\ 
\\ 
|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |0.4855    |
| IC20  |0.5746    |
| IC30  |0.6427    |
| IC40  |0.7046    |
| IC50  |0.7665    |
| IC60  |0.8339    |
| IC70  |0.9141    |
| IC80  |1.0230    |
| IC90  |1.2100    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 08
    * **<color #00a2e8>Dose</color>**: 550nM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 4.6
    * **<color #00a2e8>Numbers of reads</color>**: 14885856


==== 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^
|8/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/CAY10603_0.55uM_Round-8_exp467.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='CAY10603 0.55μM R08 exp467'>
{{:chemogenomics:cranks_plots:exp467.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:T:TCF4|TCF4]]|-3.62|<0.01|
|[[:human_genes:N:NRAS|NRAS]]|-3.25|<0.01|
|[[:human_genes:G:GPR107|GPR107]]|-3.20|<0.01|
|[[:human_genes:A:ARL1|ARL1]]|-3.11|<0.01|
|[[:human_genes:B:BCL2|BCL2]]|-3.05|<0.01|
|[[:human_genes:K:KNTC1|KNTC1]]|-2.96|0.01|
|[[:human_genes:S:SARS|SARS]]|-2.73|0.54|
|[[:human_genes:I:IPPK|IPPK]]|-2.69|0.02|
|[[:human_genes:T:TSC1|TSC1]]|-2.62|0.05|
|[[:human_genes:P:PGGT1B|PGGT1B]]|-2.51|0.04|
|[[:human_genes:M:MNS1|MNS1]]|-2.51|0.12|
|[[:human_genes:U:UBA3|UBA3]]|-2.50|0.12|
|[[:human_genes:S:SHOC2|SHOC2]]|-2.32|0.13|
|[[:human_genes:Z:ZNF727|ZNF727]]|-2.31|0.10|
|[[:human_genes:S:SEPHS1|SEPHS1]]|-2.31|0.10|
|[[:human_genes:S:SCAF8|SCAF8]]|-2.30|0.10|
|[[:human_genes:U:UBE2A|UBE2A]]|-2.25|0.11|
|[[:human_genes:Q:QRICH1|QRICH1]]|-2.25|0.11|
|[[:human_genes:C:CKAP2L|CKAP2L]]|-2.24|0.11|
|[[:human_genes:H:HDAC3|HDAC3]]|-2.24|0.11|
|[[:human_genes:C:CHKA|CHKA]]|-2.14|0.15|
|[[:human_genes:U:UXT|UXT]]|-2.13|0.16|
|[[:human_genes:F:FLVCR1|FLVCR1]]|-2.12|0.16|
|[[:human_genes:K:KIF18A|KIF18A]]|-2.11|0.16|
|[[:human_genes:C:CEPT1|CEPT1]]|-2.07|0.19|
|[[:human_genes:D:DCTN6|DCTN6]]|-2.07|0.42|
|[[:human_genes:U:UBE2QL1|UBE2QL1]]|-2.06|0.48|
|[[:human_genes:C:CHD8|CHD8]]|-2.05|0.21|
|[[:human_genes:K:KRTAP4-1|KRTAP4-1]]|-2.03|0.23|
|[[:human_genes:S:SPCS1|SPCS1]]|-2.02|0.32|
|[[:human_genes:C:CFAP45|CFAP45]]|1.95|0.71|
|[[:human_genes:F:FECH|FECH]]|1.95|0.43|
|[[:human_genes:S:SF3A1|SF3A1]]|1.98|0.50|
|[[:human_genes:C:CD3E|CD3E]]|1.98|0.43|
|[[:human_genes:K:KMT2D|KMT2D]]|2.00|0.43|
|[[:human_genes:T:TUBGCP4|TUBGCP4]]|2.01|0.43|
|[[:human_genes:P:PEX19|PEX19]]|2.01|0.43|
|[[:human_genes:H:HIST1H1A|HIST1H1A]]|2.02|0.43|
|[[:human_genes:Z:ZNF207|ZNF207]]|2.02|0.46|
|[[:human_genes:P:PPP3R1|PPP3R1]]|2.02|0.43|
|[[:human_genes:B:BAK1|BAK1]]|2.04|0.43|
|[[:human_genes:H:HMBS|HMBS]]|2.08|0.43|
|[[:human_genes:C:CABP1|CABP1]]|2.09|0.43|
|[[:human_genes:P:PRKAR2A|PRKAR2A]]|2.10|0.43|
|[[:human_genes:M:MGAT4D|MGAT4D]]|2.12|0.74|
|[[:human_genes:L:LCLAT1|LCLAT1]]|2.13|0.42|
|[[:human_genes:M:MBTPS2|MBTPS2]]|2.14|0.42|
|[[:human_genes:P:PTPMT1|PTPMT1]]|2.15|0.46|
|[[:human_genes:S:SHISA4|SHISA4]]|2.16|0.43|
|[[:human_genes:Z:ZDHHC17|ZDHHC17]]|2.17|0.42|
|[[:human_genes:A:ALKBH1|ALKBH1]]|2.18|0.42|
|[[:human_genes:O:OR10H5|OR10H5]]|2.19|0.43|
|[[:human_genes:D:DONSON|DONSON]]|2.19|0.49|
|[[:human_genes:L:LOC200726|LOC200726]]|2.20|0.42|
|[[:human_genes:S:SLC2A1|SLC2A1]]|2.25|0.43|
|[[:human_genes:G:GOLGA8H|GOLGA8H]]|2.31|0.54|
|[[:human_genes:T:TIMM8A|TIMM8A]]|2.33|0.42|
|[[:human_genes:D:DDX46|DDX46]]|2.35|0.53|
|[[:human_genes:D:DUSP6|DUSP6]]|2.40|0.36|
|[[:human_genes:P:PRRG1|PRRG1]]|2.40|0.36|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp224|CB-839 10μM R05 exp224]]|0.073|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp38|Wortmannin 5μM R00 exp38]]|0.07|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp233|EPZ-5676 30μM R05 exp233]]|0.068|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp442|Ibrutinib 10μM R08 exp442]]|0.065|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp445|∆-9-Tetrahydrocannabinol 30μM R08 exp445]]|0.065|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp466|Cannabidiol 20μM R08 exp466]]|0.063|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp422|Wiskostatin 3μM R07 exp422]]|0.062|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp182|IU1-47 25μM R04 exp182]]|0.061|<button type="primary" size="small" modal="8">View</button>|
|[[:results:exp517|Quercetin 20μM R08 exp517]]|0.059|<button type="primary" size="small" modal="9">View</button>|
|[[:results:exp37|Wortmannin 0.5μM R00 exp37]]|0.054|<button type="primary" size="small" modal="10">View</button>|
|[[:results:exp352|Dexamethasone 0.006 to 0.015μM on day4 R07 exp352]]|0.052|<button type="primary" size="small" modal="11">View</button>|
|[[:results:exp358|FK-506 5μM R07 exp358]]|0.052|<button type="primary" size="small" modal="12">View</button>|
|[[:results:exp149|SB203580 25μM R03 exp149]]|0.052|<button type="primary" size="small" modal="13">View</button>|
|[[:results:exp485|GSK626616 14μM R08 exp485]]|0.051|<button type="primary" size="small" modal="14">View</button>|
|[[:results:exp407|Thapsigargin 0.005μM R07 exp407]]|0.051|<button type="primary" size="small" modal="15">View</button>|
|[[:results:exp453|B02 10μM R08 exp453]]|0.054|<button type="primary" size="small" modal="16">View</button>|
</modal>


<modal id="1" size="lg" title="CAY10603 0.55μM R08 exp467  vs  CB-839 10μM R05 exp224">
{{:chemogenomics:comparison_plots:exp224_vs_exp467.png?nolink |}}
</modal>

<modal id="2" size="lg" title="CAY10603 0.55μM R08 exp467  vs  Wortmannin 5μM R00 exp38">
{{:chemogenomics:comparison_plots:exp38_vs_exp467.png?nolink |}}
</modal>

<modal id="3" size="lg" title="CAY10603 0.55μM R08 exp467  vs  EPZ-5676 30μM R05 exp233">
{{:chemogenomics:comparison_plots:exp233_vs_exp467.png?nolink |}}
</modal>

<modal id="4" size="lg" title="CAY10603 0.55μM R08 exp467  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp442_vs_exp467.png?nolink |}}
</modal>

<modal id="5" size="lg" title="CAY10603 0.55μM R08 exp467  vs  ∆-9-Tetrahydrocannabinol 30μM R08 exp445">
{{:chemogenomics:comparison_plots:exp445_vs_exp467.png?nolink |}}
</modal>

<modal id="6" size="lg" title="CAY10603 0.55μM R08 exp467  vs  Cannabidiol 20μM R08 exp466">
{{:chemogenomics:comparison_plots:exp466_vs_exp467.png?nolink |}}
</modal>

<modal id="7" size="lg" title="CAY10603 0.55μM R08 exp467  vs  Wiskostatin 3μM R07 exp422">
{{:chemogenomics:comparison_plots:exp422_vs_exp467.png?nolink |}}
</modal>

<modal id="8" size="lg" title="CAY10603 0.55μM R08 exp467  vs  IU1-47 25μM R04 exp182">
{{:chemogenomics:comparison_plots:exp182_vs_exp467.png?nolink |}}
</modal>

<modal id="9" size="lg" title="CAY10603 0.55μM R08 exp467  vs  Quercetin 20μM R08 exp517">
{{:chemogenomics:comparison_plots:exp467_vs_exp517.png?nolink |}}
</modal>

<modal id="10" size="lg" title="CAY10603 0.55μM R08 exp467  vs  Wortmannin 0.5μM R00 exp37">
{{:chemogenomics:comparison_plots:exp37_vs_exp467.png?nolink |}}
</modal>

<modal id="11" size="lg" title="CAY10603 0.55μM R08 exp467  vs  Dexamethasone 0.006 to 0.015μM on day4 R07 exp352">
{{:chemogenomics:comparison_plots:exp352_vs_exp467.png?nolink |}}
</modal>

<modal id="12" size="lg" title="CAY10603 0.55μM R08 exp467  vs  FK-506 5μM R07 exp358">
{{:chemogenomics:comparison_plots:exp358_vs_exp467.png?nolink |}}
</modal>

<modal id="13" size="lg" title="CAY10603 0.55μM R08 exp467  vs  SB203580 25μM R03 exp149">
{{:chemogenomics:comparison_plots:exp149_vs_exp467.png?nolink |}}
</modal>

<modal id="14" size="lg" title="CAY10603 0.55μM R08 exp467  vs  GSK626616 14μM R08 exp485">
{{:chemogenomics:comparison_plots:exp467_vs_exp485.png?nolink |}}
</modal>

<modal id="15" size="lg" title="CAY10603 0.55μM R08 exp467  vs  Thapsigargin 0.005μM R07 exp407">
{{:chemogenomics:comparison_plots:exp407_vs_exp467.png?nolink |}}
</modal>

<modal id="16" size="lg" title="B02 10μM R08 exp453  vs  CAY10603 0.55μM R08 exp467">
{{:chemogenomics:comparison_plots:exp453_vs_exp467.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>