BS-181 20μM R08 exp461 [The Human Chemical-Genetic Interaction Map Project]

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====== BS-181 20μM R08 exp461 ======
==== Mechanism of Action ====
Inhibits CDK7, causes G1 arrest and apoptosis
  * **<color #00a2e8>Class / Subclass 1:</color>** Gene Regulation / Transcription Inhibitor
  * **<color #00a2e8>Class / Subclass 2:</color>** Signal Transduction / Kinase Inhibitor



==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%BS-181%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 1092443-52-1
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/49867929|49867929]]
    * **<color #00a2e8>IUPAC:</color>** %%5-N-(6-aminohexyl)-7-N-benzyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)
    * **<color #00a2e8>INCHI Key:</color>** DNYBIOICMDTDAP-UHFFFAOYSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 380.5
    * **<color #00a2e8>Canonical SMILES:</color>** CC(C)C1=C2N=C(C=C(N2N=C1)NCC3=CC=CC=C3)NCCCCCCN
    * **<color #00a2e8>Isomeric SMILES:</color>** N/A
    * **<color #00a2e8>Molecular Formula:</color>** C22H32N6
{{:chemogenomics:structures:chem-0271.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Med Chem Express
    * **<color #00a2e8>Catalog #:</color>** HY-13266
    * **<color #00a2e8>Lot #:</color>** 16066
</panel>


<panel title='Compound Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C22H32N6 381.27612; found 381.27461
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** BS181
    * **<color #00a2e8>Min:</color>** -10.9022; **<color #00a2e8>Max:</color>** 99.8750
{{:chemogenomics:dose_response:dr_601.png?nolink&500 |}}
\\ 
\\ 
\\ 
\\ 
|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |21.7800    |
| IC20  |22.9900    |
| IC30  |23.8300    |
| IC40  |24.5400    |
| IC50  |25.2100    |
| IC60  |25.9000    |
| IC70  |26.6700    |
| IC80  |27.6400    |
| IC90  |29.1800    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 08
    * **<color #00a2e8>Dose</color>**: 20µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 3.9
    * **<color #00a2e8>Numbers of reads</color>**: 14358817


==== 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^
|20/1|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/BS-181_20uM_Round-8_exp461.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='BS-181 20μM R08 exp461'>
{{:chemogenomics:cranks_plots:exp461.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:S:SLC5A3|SLC5A3]]|-4.39|<0.01|
|[[:human_genes:F:FLVCR1|FLVCR1]]|-3.86|<0.01|
|[[:human_genes:P:PTDSS1|PTDSS1]]|-3.54|<0.01|
|[[:human_genes:G:GPR107|GPR107]]|-3.51|<0.01|
|[[:human_genes:A:ARL1|ARL1]]|-3.23|<0.01|
|[[:human_genes:M:MBTPS1|MBTPS1]]|-3.22|<0.01|
|[[:human_genes:P:PCYT1A|PCYT1A]]|-3.20|<0.01|
|[[:human_genes:K:KDSR|KDSR]]|-3.13|<0.01|
|[[:human_genes:S:SCAP|SCAP]]|-3.11|<0.01|
|[[:human_genes:C:CHKA|CHKA]]|-3.04|<0.01|
|[[:human_genes:S:SPTLC1|SPTLC1]]|-2.87|<0.01|
|[[:human_genes:B:BUB1B|BUB1B]]|-2.82|0.01|
|[[:human_genes:D:DAGLB|DAGLB]]|-2.78|<0.01|
|[[:human_genes:R:RER1|RER1]]|-2.68|<0.01|
|[[:human_genes:M:MSI2|MSI2]]|-2.59|0.01|
|[[:human_genes:A:ARFRP1|ARFRP1]]|-2.54|0.04|
|[[:human_genes:C:COG5|COG5]]|-2.49|0.05|
|[[:human_genes:P:PRKACA|PRKACA]]|-2.43|0.04|
|[[:human_genes:C:C10orf76|C10orf76]]|-2.39|0.04|
|[[:human_genes:D:DPAGT1|DPAGT1]]|-2.38|0.07|
|[[:human_genes:G:GCLC|GCLC]]|-2.34|0.05|
|[[:human_genes:N:NPIPB8|NPIPB8]]|-2.33|0.21|
|[[:human_genes:S:SCYL1|SCYL1]]|-2.32|0.08|
|[[:human_genes:U:UBE2N|UBE2N]]|-2.30|0.06|
|[[:human_genes:S:SLC39A9|SLC39A9]]|-2.30|0.06|
|[[:human_genes:P:PLN|PLN]]|-2.29|0.48|
|[[:human_genes:G:GMPPB|GMPPB]]|-2.28|0.48|
|[[:human_genes:N:NPIPB9|NPIPB9]]|-2.27|0.06|
|[[:human_genes:V:VKORC1L1|VKORC1L1]]|-2.26|0.06|
|[[:human_genes:J:JTB|JTB]]|-2.24|0.07|
|[[:human_genes:A:AGPAT5|AGPAT5]]|1.96|0.60|
|[[:human_genes:F:FAM124B|FAM124B]]|1.98|0.37|
|[[:human_genes:S:SNRPF|SNRPF]]|1.98|0.66|
|[[:human_genes:C:CNOT1|CNOT1]]|1.99|0.63|
|[[:human_genes:M:MTCH2|MTCH2]]|2.00|0.63|
|[[:human_genes:Z:ZNF335|ZNF335]]|2.03|0.66|
|[[:human_genes:R:RPL32|RPL32]]|2.03|0.47|
|[[:human_genes:B:BPIFB2|BPIFB2]]|2.03|0.32|
|[[:human_genes:M:MBNL1|MBNL1]]|2.04|0.32|
|[[:human_genes:C:CDAN1|CDAN1]]|2.07|0.66|
|[[:human_genes:M:MON1B|MON1B]]|2.11|0.37|
|[[:human_genes:T:TBC1D1|TBC1D1]]|2.14|0.26|
|[[:human_genes:P:PDE6B|PDE6B]]|2.16|0.32|
|[[:human_genes:I:INTS1|INTS1]]|2.16|0.63|
|[[:human_genes:A:ADCYAP1R1|ADCYAP1R1]]|2.20|0.30|
|[[:human_genes:U:UBE2R2|UBE2R2]]|2.21|0.22|
|[[:human_genes:S:SRM|SRM]]|2.23|0.22|
|[[:human_genes:S:SMAD3|SMAD3]]|2.24|0.22|
|[[:human_genes:S:SHMT2|SHMT2]]|2.25|0.37|
|[[:human_genes:A:ATP2B1|ATP2B1]]|2.25|0.26|
|[[:human_genes:Z:ZFC3H1|ZFC3H1]]|2.26|0.26|
|[[:human_genes:P:PFKP|PFKP]]|2.30|0.21|
|[[:human_genes:S:SLC25A32|SLC25A32]]|2.30|0.25|
|[[:human_genes:O:OR1L4|OR1L4]]|2.31|0.21|
|[[:human_genes:W:WDR83|WDR83]]|2.33|0.21|
|[[:human_genes:A:ADRB2|ADRB2]]|2.34|0.21|
|[[:human_genes:M:MEOX1|MEOX1]]|2.37|0.28|
|[[:human_genes:P:PLA2G2A|PLA2G2A]]|2.38|0.22|
|[[:human_genes:S:SFMBT2|SFMBT2]]|2.48|0.21|
|[[:human_genes:E:EIF4A1|EIF4A1]]|3.00|0.05|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp344|Chlorpromazine 10μM R07 exp344]]|0.133|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp68|Clomiphene 4.4μM R02 exp68]]|0.095|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp530|Thioridazine 5μM R08 exp530]]|0.091|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp454|Bafilomycin-A1 0.009μM R08 exp454]]|0.089|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp90|WYE-354 6μM R02 exp90]]|0.082|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp510|Nicotine 3000μM R08 exp510]]|0.082|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp483|FTY720 3μM R08 exp483]]|0.079|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp465|Cannabidiol 13μM R08 exp465]]|0.078|<button type="primary" size="small" modal="8">View</button>|
|[[:results:exp227|Cryptotanshinone 12μM R05 exp227]]|0.077|<button type="primary" size="small" modal="9">View</button>|
|[[:results:exp47|Lapatinib 5μM R01 exp47]]|0.076|<button type="primary" size="small" modal="10">View</button>|
|[[:results:exp538|ZLN024 50μM R08 exp538]]|0.074|<button type="primary" size="small" modal="11">View</button>|
|[[:results:exp326|CCT251545 20μM R07 exp326]]|0.074|<button type="primary" size="small" modal="12">View</button>|
|[[:results:exp164|Q15 1 to 2μM on day4 R04 exp164]]|0.072|<button type="primary" size="small" modal="13">View</button>|
|[[:results:exp422|Wiskostatin 3μM R07 exp422]]|0.072|<button type="primary" size="small" modal="14">View</button>|
|[[:results:exp131|L-74142 5μM R03 exp131]]|0.069|<button type="primary" size="small" modal="15">View</button>|
|[[:results:exp233|EPZ-5676 30μM R05 exp233]]|0.068|<button type="primary" size="small" modal="16">View</button>|
|[[:results:exp149|SB203580 25μM R03 exp149]]|0.063|<button type="primary" size="small" modal="17">View</button>|
|[[:results:exp416|Tubacin 1.6μM R07 exp416]]|0.062|<button type="primary" size="small" modal="18">View</button>|
|[[:results:exp504|MK2206 4μM R08 exp504]]|0.062|<button type="primary" size="small" modal="19">View</button>|
|[[:results:exp507|Monensin 0.3μM R08 exp507]]|0.061|<button type="primary" size="small" modal="20">View</button>|
|[[:results:exp469|CFI-400945 25μM R08 exp469]]|0.06|<button type="primary" size="small" modal="21">View</button>|
|[[:results:exp457|Bisphenol F 50μM R08 exp457]]|0.059|<button type="primary" size="small" modal="22">View</button>|
|[[:results:exp466|Cannabidiol 20μM R08 exp466]]|0.057|<button type="primary" size="small" modal="23">View</button>|
|[[:results:exp442|Ibrutinib 10μM R08 exp442]]|0.057|<button type="primary" size="small" modal="24">View</button>|
|[[:results:exp434|Vemurafenib 6.6μM R08 exp434]]|0.056|<button type="primary" size="small" modal="25">View</button>|
|[[:results:exp224|CB-839 10μM R05 exp224]]|0.055|<button type="primary" size="small" modal="26">View</button>|
|[[:results:exp182|IU1-47 25μM R04 exp182]]|0.053|<button type="primary" size="small" modal="27">View</button>|
|[[:results:exp445|∆-9-Tetrahydrocannabinol 30μM R08 exp445]]|0.052|<button type="primary" size="small" modal="28">View</button>|
|[[:results:exp348|Cyclosporin-A 3μM R07 exp348]]|0.052|<button type="primary" size="small" modal="29">View</button>|
|[[:results:exp508|NN-Dimethylsphingosine 2.5μM R08 exp508]]|0.052|<button type="primary" size="small" modal="30">View</button>|
|[[:results:exp470|Chloroquine 32μM R08 exp470]]|0.052|<button type="primary" size="small" modal="31">View</button>|
|[[:results:exp155|UNC1999 2μM R03 exp155]]|0.051|<button type="primary" size="small" modal="32">View</button>|
|[[:results:exp269|Bisphenol A 100μM R06 exp269]]|0.051|<button type="primary" size="small" modal="33">View</button>|
|[[:results:exp169|BH1 1μM R04 exp169]]|0.078|<button type="primary" size="small" modal="34">View</button>|
|[[:results:exp453|B02 10μM R08 exp453]]|0.056|<button type="primary" size="small" modal="35">View</button>|
</modal>


<modal id="1" size="lg" title="BS-181 20μM R08 exp461  vs  Chlorpromazine 10μM R07 exp344">
{{:chemogenomics:comparison_plots:exp344_vs_exp461.png?nolink |}}
</modal>

<modal id="2" size="lg" title="BS-181 20μM R08 exp461  vs  Clomiphene 4.4μM R02 exp68">
{{:chemogenomics:comparison_plots:exp461_vs_exp68.png?nolink |}}
</modal>

<modal id="3" size="lg" title="BS-181 20μM R08 exp461  vs  Thioridazine 5μM R08 exp530">
{{:chemogenomics:comparison_plots:exp461_vs_exp530.png?nolink |}}
</modal>

<modal id="4" size="lg" title="BS-181 20μM R08 exp461  vs  Bafilomycin-A1 0.009μM R08 exp454">
{{:chemogenomics:comparison_plots:exp454_vs_exp461.png?nolink |}}
</modal>

<modal id="5" size="lg" title="BS-181 20μM R08 exp461  vs  WYE-354 6μM R02 exp90">
{{:chemogenomics:comparison_plots:exp461_vs_exp90.png?nolink |}}
</modal>

<modal id="6" size="lg" title="BS-181 20μM R08 exp461  vs  Nicotine 3000μM R08 exp510">
{{:chemogenomics:comparison_plots:exp461_vs_exp510.png?nolink |}}
</modal>

<modal id="7" size="lg" title="BS-181 20μM R08 exp461  vs  FTY720 3μM R08 exp483">
{{:chemogenomics:comparison_plots:exp461_vs_exp483.png?nolink |}}
</modal>

<modal id="8" size="lg" title="BS-181 20μM R08 exp461  vs  Cannabidiol 13μM R08 exp465">
{{:chemogenomics:comparison_plots:exp461_vs_exp465.png?nolink |}}
</modal>

<modal id="9" size="lg" title="BS-181 20μM R08 exp461  vs  Cryptotanshinone 12μM R05 exp227">
{{:chemogenomics:comparison_plots:exp227_vs_exp461.png?nolink |}}
</modal>

<modal id="10" size="lg" title="BS-181 20μM R08 exp461  vs  Lapatinib 5μM R01 exp47">
{{:chemogenomics:comparison_plots:exp461_vs_exp47.png?nolink |}}
</modal>

<modal id="11" size="lg" title="BS-181 20μM R08 exp461  vs  ZLN024 50μM R08 exp538">
{{:chemogenomics:comparison_plots:exp461_vs_exp538.png?nolink |}}
</modal>

<modal id="12" size="lg" title="BS-181 20μM R08 exp461  vs  CCT251545 20μM R07 exp326">
{{:chemogenomics:comparison_plots:exp326_vs_exp461.png?nolink |}}
</modal>

<modal id="13" size="lg" title="BS-181 20μM R08 exp461  vs  Q15 1 to 2μM on day4 R04 exp164">
{{:chemogenomics:comparison_plots:exp164_vs_exp461.png?nolink |}}
</modal>

<modal id="14" size="lg" title="BS-181 20μM R08 exp461  vs  Wiskostatin 3μM R07 exp422">
{{:chemogenomics:comparison_plots:exp422_vs_exp461.png?nolink |}}
</modal>

<modal id="15" size="lg" title="BS-181 20μM R08 exp461  vs  L-74142 5μM R03 exp131">
{{:chemogenomics:comparison_plots:exp131_vs_exp461.png?nolink |}}
</modal>

<modal id="16" size="lg" title="BS-181 20μM R08 exp461  vs  EPZ-5676 30μM R05 exp233">
{{:chemogenomics:comparison_plots:exp233_vs_exp461.png?nolink |}}
</modal>

<modal id="17" size="lg" title="BS-181 20μM R08 exp461  vs  SB203580 25μM R03 exp149">
{{:chemogenomics:comparison_plots:exp149_vs_exp461.png?nolink |}}
</modal>

<modal id="18" size="lg" title="BS-181 20μM R08 exp461  vs  Tubacin 1.6μM R07 exp416">
{{:chemogenomics:comparison_plots:exp416_vs_exp461.png?nolink |}}
</modal>

<modal id="19" size="lg" title="BS-181 20μM R08 exp461  vs  MK2206 4μM R08 exp504">
{{:chemogenomics:comparison_plots:exp461_vs_exp504.png?nolink |}}
</modal>

<modal id="20" size="lg" title="BS-181 20μM R08 exp461  vs  Monensin 0.3μM R08 exp507">
{{:chemogenomics:comparison_plots:exp461_vs_exp507.png?nolink |}}
</modal>

<modal id="21" size="lg" title="BS-181 20μM R08 exp461  vs  CFI-400945 25μM R08 exp469">
{{:chemogenomics:comparison_plots:exp461_vs_exp469.png?nolink |}}
</modal>

<modal id="22" size="lg" title="BS-181 20μM R08 exp461  vs  Bisphenol F 50μM R08 exp457">
{{:chemogenomics:comparison_plots:exp457_vs_exp461.png?nolink |}}
</modal>

<modal id="23" size="lg" title="BS-181 20μM R08 exp461  vs  Cannabidiol 20μM R08 exp466">
{{:chemogenomics:comparison_plots:exp461_vs_exp466.png?nolink |}}
</modal>

<modal id="24" size="lg" title="BS-181 20μM R08 exp461  vs  Ibrutinib 10μM R08 exp442">
{{:chemogenomics:comparison_plots:exp442_vs_exp461.png?nolink |}}
</modal>

<modal id="25" size="lg" title="BS-181 20μM R08 exp461  vs  Vemurafenib 6.6μM R08 exp434">
{{:chemogenomics:comparison_plots:exp434_vs_exp461.png?nolink |}}
</modal>

<modal id="26" size="lg" title="BS-181 20μM R08 exp461  vs  CB-839 10μM R05 exp224">
{{:chemogenomics:comparison_plots:exp224_vs_exp461.png?nolink |}}
</modal>

<modal id="27" size="lg" title="BS-181 20μM R08 exp461  vs  IU1-47 25μM R04 exp182">
{{:chemogenomics:comparison_plots:exp182_vs_exp461.png?nolink |}}
</modal>

<modal id="28" size="lg" title="BS-181 20μM R08 exp461  vs  ∆-9-Tetrahydrocannabinol 30μM R08 exp445">
{{:chemogenomics:comparison_plots:exp445_vs_exp461.png?nolink |}}
</modal>

<modal id="29" size="lg" title="BS-181 20μM R08 exp461  vs  Cyclosporin-A 3μM R07 exp348">
{{:chemogenomics:comparison_plots:exp348_vs_exp461.png?nolink |}}
</modal>

<modal id="30" size="lg" title="BS-181 20μM R08 exp461  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp461_vs_exp508.png?nolink |}}
</modal>

<modal id="31" size="lg" title="BS-181 20μM R08 exp461  vs  Chloroquine 32μM R08 exp470">
{{:chemogenomics:comparison_plots:exp461_vs_exp470.png?nolink |}}
</modal>

<modal id="32" size="lg" title="BS-181 20μM R08 exp461  vs  UNC1999 2μM R03 exp155">
{{:chemogenomics:comparison_plots:exp155_vs_exp461.png?nolink |}}
</modal>

<modal id="33" size="lg" title="BS-181 20μM R08 exp461  vs  Bisphenol A 100μM R06 exp269">
{{:chemogenomics:comparison_plots:exp269_vs_exp461.png?nolink |}}
</modal>

<modal id="34" size="lg" title="BH1 1μM R04 exp169  vs  BS-181 20μM R08 exp461">
{{:chemogenomics:comparison_plots:exp169_vs_exp461.png?nolink |}}
</modal>

<modal id="35" size="lg" title="B02 10μM R08 exp453  vs  BS-181 20μM R08 exp461">
{{:chemogenomics:comparison_plots:exp453_vs_exp461.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>