BI-2536 0.02μM R03 exp96 [The Human Chemical-Genetic Interaction Map Project]

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====== BI-2536 0.02μM R03 exp96 ======
==== Mechanism of Action ====
Inhibits PLK1 kinase, causes G2/M arrest
  * **<color #00a2e8>Class / Subclass 1:</color>** Cell Cycle / Mitotic 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>** %%BI-2536%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 755038-02-9
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/11364421|11364421]]
    * **<color #00a2e8>IUPAC:</color>** %%4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
    * **<color #00a2e8>INCHI Key:</color>** XQVVPGYIWAGRNI-JOCHJYFZSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 521.7
    * **<color #00a2e8>Canonical SMILES:</color>** CCC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C
    * **<color #00a2e8>Isomeric SMILES:</color>** CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C
    * **<color #00a2e8>Molecular Formula:</color>** C28H39N7O3
{{:chemogenomics:structures:chem-0022.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Med Chem Express
    * **<color #00a2e8>Catalog #:</color>** HY-50698
    * **<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 C28H39N7O3 522.31871; found 522.32029
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** BI2536
    * **<color #00a2e8>Min:</color>** -5.0598; **<color #00a2e8>Max:</color>** 98.9203
{{:chemogenomics:dose_response:dr_74.png?nolink&500 |}}
\\ 
\\ 
\\ 
\\ 
|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |0.0014    |
| IC30  |0.0041    |
| IC40  |0.0097    |
| IC50  |0.0214    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 03
    * **<color #00a2e8>Dose</color>**: 20nM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: -0.3
    * **<color #00a2e8>Numbers of reads</color>**: 12600260


==== 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^
|0/20|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/BI-2536_0.02uM_Round-3_exp96.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="primary" 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='BI-2536 0.02μM R03 exp96'>
{{:chemogenomics:cranks_plots:exp96.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:P:PSMA5|PSMA5]]|-2.71|0.38|
|[[:human_genes:M:MPHOSPH10|MPHOSPH10]]|-2.70|0.41|
|[[:human_genes:R:RMI2|RMI2]]|-2.62|0.20|
|[[:human_genes:R:RRM1|RRM1]]|-2.46|0.41|
|[[:human_genes:P:PRR14L|PRR14L]]|-2.39|0.41|
|[[:human_genes:U:USP37|USP37]]|-2.35|0.41|
|[[:human_genes:P:PSMA1|PSMA1]]|-2.35|0.41|
|[[:human_genes:T:TSC2|TSC2]]|-2.34|0.41|
|[[:human_genes:P:PPM1G|PPM1G]]|-2.32|0.41|
|[[:human_genes:C:CCNA2|CCNA2]]|-2.31|0.41|
|[[:human_genes:C:CSDE1|CSDE1]]|-2.27|0.41|
|[[:human_genes:C:CHMP2A|CHMP2A]]|-2.27|0.41|
|[[:human_genes:H:HGC6.3|HGC6.3]]|-2.23|0.63|
|[[:human_genes:D:DSN1|DSN1]]|-2.21|0.41|
|[[:human_genes:R:RSBN1L|RSBN1L]]|-2.18|0.41|
|[[:human_genes:E:EGR2|EGR2]]|-2.18|0.41|
|[[:human_genes:Z:ZCCHC11|ZCCHC11]]|-2.18|0.41|
|[[:human_genes:G:GCK|GCK]]|-2.17|0.41|
|[[:human_genes:S:SMG7|SMG7]]|-2.15|0.44|
|[[:human_genes:V:VPS25|VPS25]]|-2.13|0.48|
|[[:human_genes:E:EIF5B|EIF5B]]|-2.12|0.68|
|[[:human_genes:P:PSMD3|PSMD3]]|-2.11|0.58|
|[[:human_genes:C:CHMP4B|CHMP4B]]|-2.11|0.41|
|[[:human_genes:P:PSMA7|PSMA7]]|-2.08|0.47|
|[[:human_genes:T:TLR7|TLR7]]|-2.05|0.41|
|[[:human_genes:S:SSX2IP|SSX2IP]]|-2.04|0.41|
|[[:human_genes:S:SLC16A13|SLC16A13]]|-2.04|0.41|
|[[:human_genes:N:NUP133|NUP133]]|-2.04|0.41|
|[[:human_genes:P:PLCG2|PLCG2]]|-2.03|0.41|
|[[:human_genes:P:PNO1|PNO1]]|-2.01|0.55|
|[[:human_genes:T:TRMT61A|TRMT61A]]|2.30|0.22|
|[[:human_genes:R:RBM14-RBM4|RBM14-RBM4]]|2.32|0.13|
|[[:human_genes:R:RBM14|RBM14]]|2.33|0.13|
|[[:human_genes:P:PMM2|PMM2]]|2.35|0.08|
|[[:human_genes:G:GNB1L|GNB1L]]|2.39|0.04|
|[[:human_genes:G:GTF3A|GTF3A]]|2.45|0.09|
|[[:human_genes:E:ERLIN1|ERLIN1]]|2.48|0.02|
|[[:human_genes:T:TMSB15B|TMSB15B]]|2.49|0.31|
|[[:human_genes:C:CCDC101|CCDC101]]|2.50|0.02|
|[[:human_genes:T:TDRD7|TDRD7]]|2.53|0.02|
|[[:human_genes:C:CRCP|CRCP]]|2.54|0.07|
|[[:human_genes:C:CBX3|CBX3]]|2.61|0.02|
|[[:human_genes:P:POLR3C|POLR3C]]|2.62|0.05|
|[[:human_genes:D:DPAGT1|DPAGT1]]|2.63|0.09|
|[[:human_genes:M:MAD1L1|MAD1L1]]|2.64|0.02|
|[[:human_genes:C:COMMD8|COMMD8]]|2.70|0.01|
|[[:human_genes:P:PELO|PELO]]|2.71|0.04|
|[[:human_genes:R:RPTOR|RPTOR]]|2.73|0.01|
|[[:human_genes:R:RPP21|RPP21]]|2.76|0.02|
|[[:human_genes:M:MBTPS2|MBTPS2]]|2.85|<0.01|
|[[:human_genes:P:POLR3H|POLR3H]]|2.94|0.02|
|[[:human_genes:P:PYROXD1|PYROXD1]]|2.95|0.14|
|[[:human_genes:M:MAD2L1|MAD2L1]]|2.96|<0.01|
|[[:human_genes:A:ATP5O|ATP5O]]|2.97|<0.01|
|[[:human_genes:R:RNMT|RNMT]]|3.01|<0.01|
|[[:human_genes:M:MED16|MED16]]|3.12|0.01|
|[[:human_genes:T:THG1L|THG1L]]|3.20|<0.01|
|[[:human_genes:A:ATP2B1|ATP2B1]]|3.23|<0.01|
|[[:human_genes:P:POLR3B|POLR3B]]|3.56|<0.01|
|[[:human_genes:B:BUB3|BUB3]]|3.56|0.01|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp98|BI-6727 0.04μM R03 exp98]]|0.2|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp126|GSK461364A 0.1μM R03 exp126]]|0.175|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp108|Vinblastine 0.2μM R03 exp108]]|0.119|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp443|SNS-032 15μM R08 exp443]]|0.096|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp487|Hinokiflavone 12μM R08 exp487]]|0.086|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp93|DABN racemic mixture R03 exp93]]|0.082|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp503|Mitomycin-C 0.06μM R08 exp503]]|0.078|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp531|THZ1 0.06μM R08 exp531]]|0.078|<button type="primary" size="small" modal="8">View</button>|
|[[:results:exp478|Doxorubicin 0.02μM R08 exp478]]|0.075|<button type="primary" size="small" modal="9">View</button>|
|[[:results:exp111|R-DABN 8μM R03 exp111]]|0.071|<button type="primary" size="small" modal="10">View</button>|
|[[:results:exp22|MLN-4924 2μM R00 exp22]]|0.066|<button type="primary" size="small" modal="11">View</button>|
|[[:results:exp199|Etoposide 0.3μM R05 exp199]]|0.066|<button type="primary" size="small" modal="12">View</button>|
|[[:results:exp94|Nocodazole 0.1μM R03 exp94]]|0.064|<button type="primary" size="small" modal="13">View</button>|
|[[:results:exp459|Bleomycin 5μM R08 exp459]]|0.063|<button type="primary" size="small" modal="14">View</button>|
|[[:results:exp135|MS023 7μM R03 exp135]]|0.057|<button type="primary" size="small" modal="15">View</button>|
|[[:results:exp256|HMS-I1 10μM R06 exp256]]|0.055|<button type="primary" size="small" modal="16">View</button>|
|[[:results:exp64|Nocodazole 0.2μM R02 exp64]]|0.054|<button type="primary" size="small" modal="17">View</button>|
|[[:results:exp472|CI-1040 9.5μM R08 exp472]]|0.053|<button type="primary" size="small" modal="18">View</button>|
|[[:results:exp17|DABN 20μM R00 exp17]]|0.053|<button type="primary" size="small" modal="19">View</button>|
|[[:results:exp106|UM131593 0.2μM R03 exp106]]|0.052|<button type="primary" size="small" modal="20">View</button>|
|[[:results:exp451|Atovaquone 15μM R08 exp451]]|0.074|<button type="primary" size="small" modal="21">View</button>|
|[[:results:exp448|Ammonium tetrathiomolybdate 10μM R08 exp448]]|0.071|<button type="primary" size="small" modal="22">View</button>|
|[[:results:exp539|42°C R08 exp539]]|0.061|<button type="primary" size="small" modal="23">View</button>|
|[[:results:exp2|5-Fluorouracil 20μM R00 exp2]]|0.051|<button type="primary" size="small" modal="24">View</button>|
|[[:results:exp259|6-Thio-2-deoxyguanosine 2μM R06 exp259]]|0.051|<button type="primary" size="small" modal="25">View</button>|
</modal>


<modal id="1" size="lg" title="BI-2536 0.02μM R03 exp96  vs  BI-6727 0.04μM R03 exp98">
{{:chemogenomics:comparison_plots:exp96_vs_exp98.png?nolink |}}
</modal>

<modal id="2" size="lg" title="BI-2536 0.02μM R03 exp96  vs  GSK461364A 0.1μM R03 exp126">
{{:chemogenomics:comparison_plots:exp126_vs_exp96.png?nolink |}}
</modal>

<modal id="3" size="lg" title="BI-2536 0.02μM R03 exp96  vs  Vinblastine 0.2μM R03 exp108">
{{:chemogenomics:comparison_plots:exp108_vs_exp96.png?nolink |}}
</modal>

<modal id="4" size="lg" title="BI-2536 0.02μM R03 exp96  vs  SNS-032 15μM R08 exp443">
{{:chemogenomics:comparison_plots:exp443_vs_exp96.png?nolink |}}
</modal>

<modal id="5" size="lg" title="BI-2536 0.02μM R03 exp96  vs  Hinokiflavone 12μM R08 exp487">
{{:chemogenomics:comparison_plots:exp487_vs_exp96.png?nolink |}}
</modal>

<modal id="6" size="lg" title="BI-2536 0.02μM R03 exp96  vs  DABN racemic mixture R03 exp93">
{{:chemogenomics:comparison_plots:exp93_vs_exp96.png?nolink |}}
</modal>

<modal id="7" size="lg" title="BI-2536 0.02μM R03 exp96  vs  Mitomycin-C 0.06μM R08 exp503">
{{:chemogenomics:comparison_plots:exp503_vs_exp96.png?nolink |}}
</modal>

<modal id="8" size="lg" title="BI-2536 0.02μM R03 exp96  vs  THZ1 0.06μM R08 exp531">
{{:chemogenomics:comparison_plots:exp531_vs_exp96.png?nolink |}}
</modal>

<modal id="9" size="lg" title="BI-2536 0.02μM R03 exp96  vs  Doxorubicin 0.02μM R08 exp478">
{{:chemogenomics:comparison_plots:exp478_vs_exp96.png?nolink |}}
</modal>

<modal id="10" size="lg" title="BI-2536 0.02μM R03 exp96  vs  R-DABN 8μM R03 exp111">
{{:chemogenomics:comparison_plots:exp111_vs_exp96.png?nolink |}}
</modal>

<modal id="11" size="lg" title="BI-2536 0.02μM R03 exp96  vs  MLN-4924 2μM R00 exp22">
{{:chemogenomics:comparison_plots:exp22_vs_exp96.png?nolink |}}
</modal>

<modal id="12" size="lg" title="BI-2536 0.02μM R03 exp96  vs  Etoposide 0.3μM R05 exp199">
{{:chemogenomics:comparison_plots:exp199_vs_exp96.png?nolink |}}
</modal>

<modal id="13" size="lg" title="BI-2536 0.02μM R03 exp96  vs  Nocodazole 0.1μM R03 exp94">
{{:chemogenomics:comparison_plots:exp94_vs_exp96.png?nolink |}}
</modal>

<modal id="14" size="lg" title="BI-2536 0.02μM R03 exp96  vs  Bleomycin 5μM R08 exp459">
{{:chemogenomics:comparison_plots:exp459_vs_exp96.png?nolink |}}
</modal>

<modal id="15" size="lg" title="BI-2536 0.02μM R03 exp96  vs  MS023 7μM R03 exp135">
{{:chemogenomics:comparison_plots:exp135_vs_exp96.png?nolink |}}
</modal>

<modal id="16" size="lg" title="BI-2536 0.02μM R03 exp96  vs  HMS-I1 10μM R06 exp256">
{{:chemogenomics:comparison_plots:exp256_vs_exp96.png?nolink |}}
</modal>

<modal id="17" size="lg" title="BI-2536 0.02μM R03 exp96  vs  Nocodazole 0.2μM R02 exp64">
{{:chemogenomics:comparison_plots:exp64_vs_exp96.png?nolink |}}
</modal>

<modal id="18" size="lg" title="BI-2536 0.02μM R03 exp96  vs  CI-1040 9.5μM R08 exp472">
{{:chemogenomics:comparison_plots:exp472_vs_exp96.png?nolink |}}
</modal>

<modal id="19" size="lg" title="BI-2536 0.02μM R03 exp96  vs  DABN 20μM R00 exp17">
{{:chemogenomics:comparison_plots:exp17_vs_exp96.png?nolink |}}
</modal>

<modal id="20" size="lg" title="BI-2536 0.02μM R03 exp96  vs  UM131593 0.2μM R03 exp106">
{{:chemogenomics:comparison_plots:exp106_vs_exp96.png?nolink |}}
</modal>

<modal id="21" size="lg" title="Atovaquone 15μM R08 exp451  vs  BI-2536 0.02μM R03 exp96">
{{:chemogenomics:comparison_plots:exp451_vs_exp96.png?nolink |}}
</modal>

<modal id="22" size="lg" title="Ammonium tetrathiomolybdate 10μM R08 exp448  vs  BI-2536 0.02μM R03 exp96">
{{:chemogenomics:comparison_plots:exp448_vs_exp96.png?nolink |}}
</modal>

<modal id="23" size="lg" title="42°C R08 exp539  vs  BI-2536 0.02μM R03 exp96">
{{:chemogenomics:comparison_plots:exp539_vs_exp96.png?nolink |}}
</modal>

<modal id="24" size="lg" title="5-Fluorouracil 20μM R00 exp2  vs  BI-2536 0.02μM R03 exp96">
{{:chemogenomics:comparison_plots:exp2_vs_exp96.png?nolink |}}
</modal>

<modal id="25" size="lg" title="6-Thio-2-deoxyguanosine 2μM R06 exp259  vs  BI-2536 0.02μM R03 exp96">
{{:chemogenomics:comparison_plots:exp259_vs_exp96.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">
^GO Term^Fold Change^Genes^
|ESCRT complex|70.85|CHMP2A,VPS25,CHMP4B|
|multivesicular body assembly|61.40|CHMP2A,VPS25,CHMP4B|
|multivesicular body organization|59.42|CHMP2A,VPS25,CHMP4B|
|late endosome to vacuole transport|54.18|CHMP2A,VPS25,CHMP4B|
|ubiquitin-dependent protein catabolic process via the multivesicular body sorting pathway|52.63|CHMP2A,VPS25,CHMP4B|
|endosome transport via multivesicular body sorting pathway|47.23|CHMP2A,VPS25,CHMP4B|
|membrane fission|44.93|CHMP2A,VPS25,CHMP4B|
|proteasome complex|40.94|PSMA5,PSMA1,PSMD3,PSMA7|
|modification-dependent macromolecule catabolic process|9.23|PSMA5,PSMA1,CHMP2A,TUT4,VPS25,PSMD3,CHMP4B,PSMA7|
|ubiquitin-dependent protein catabolic process|8.41|PSMA5,PSMA1,CHMP2A,VPS25,PSMD3,CHMP4B,PSMA7|
|modification-dependent protein catabolic process|8.25|PSMA5,PSMA1,CHMP2A,VPS25,PSMD3,CHMP4B,PSMA7|
|proteolysis involved in protein catabolic process|7.37|PSMA5,PSMA1,CHMP2A,VPS25,PSMD3,CHMP4B,PSMA7|
|macromolecule catabolic process|6.66|PSMA5,PSMA1,CSDE1,CHMP2A,TUT4,SMG7,VPS25,PSMD3,CHMP4B,PSMA7|
</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">
^GO Term^Fold Change^Genes^
|mitotic checkpoint complex|368.42|BUB3,MAD2L1|
|RNA polymerase III complex|130.03|POLR3B,POLR3H,POLR3C,CRCP|
|DNA-directed 5-3 RNA polymerase activity|85.02|POLR3B,POLR3H,POLR3C,CRCP|
|5-3 RNA polymerase activity|78.95|POLR3B,POLR3H,POLR3C,CRCP|
|RNA polymerase activity|78.95|POLR3B,POLR3H,POLR3C,CRCP|
|mitotic spindle assembly checkpoint signaling|59.21|BUB3,MAD2L1,MAD1L1|
|mitotic spindle checkpoint signaling|59.21|BUB3,MAD2L1,MAD1L1|
|spindle assembly checkpoint signaling|59.21|BUB3,MAD2L1,MAD1L1|
|transcription by RNA polymerase III|58.17|POLR3B,POLR3H,CRCP,GTF3A|
|negative regulation of mitotic sister chromatid segregation|53.48|BUB3,MAD2L1,MAD1L1|
|negative regulation of mitotic sister chromatid separation|53.48|BUB3,MAD2L1,MAD1L1|
|negative regulation of metaphase/anaphase transition of cell cycle|50.24|BUB3,MAD2L1,MAD1L1|
|negative regulation of chromosome segregation|50.24|BUB3,MAD2L1,MAD1L1|
|nuclear DNA-directed RNA polymerase complex|24.03|POLR3B,POLR3H,POLR3C,CRCP|
|DNA-directed RNA polymerase complex|23.27|POLR3B,POLR3H,POLR3C,CRCP|
|RNA polymerase complex|22.79|POLR3B,POLR3H,POLR3C,CRCP|
|nucleotidyltransferase activity|20.32|POLR3B,THG1L,POLR3H,POLR3C,CRCP|
|catalytic activity, acting on RNA|11.51|POLR3B,THG1L,RNMT,POLR3H,RPP21,POLR3C,CRCP,TRMT61A|
|catalytic activity, acting on a nucleic acid|7.42|POLR3B,THG1L,RNMT,POLR3H,RPP21,POLR3C,CRCP,TRMT61A|
</modal>