Fig. 3

Hierarchical cluster analysis of reference compounds screened by both the HIPLAB and NIBR. To identify robust clusters, we generated the 'coinhibitory' square matrix, defined as the pairwise Pearson correlation between the selected screens, representing the similarity between profiled compounds. Profiles were then hierarchically clustered using (1 - the coinhibitory matrix) as the distance metric and Ward as the agglomeration method. Heatmap of: A drugs with established mechanism B antimetabolites and DNA-damaging agents. Row dendrogram branches are colored by mechanism of drug action; column dendrogram branches are colored by research institute: NIBR and HIPLAB in navy and light blue, respectively. Drugs within each major cluster represent screens with highly correlated chemogenomic profiles, indicated by both the heatmap color scale and dendrogram height. This suggests that compounds within a cluster act by a similar mechanism. The list of drugs (including the research institutes and the screened doses) in each heatmap from top to bottom and left to right is as follow. Each parenthesis includes drugs corresponding to the colored row dendrogram branches): Panel A (NIBR_sphingosine:1.5uM, HIPLAB_sphingosine:6.7uM); (HIPLAB_anisomycin:9.6uM, HIPLAB_cycloheximide:667uM, NIBR_anisomycin:10uM, NIBR_cycloheximide:30nM, NIBR_cycloheximide:50nM); (HIPLAB_curcumin:80uM, HIPLAB_curcumin:90.4uM, NIBR_curcumin:85uM, NIBR_curcumin:55uM, NIBR_curcumin:70uM, NIBR_curcumin:58.5uM, NIBR_curcumin|C:58.5uM, NIBR_curcumin|A:58.5uM, NIBR_curcumin|B:58.5uM, NIBR_curcumin:75uM); (NIBR_myriocin:8.1uM, HIPLAB_myriocin:605nM); (HIPLAB_cerulenin|B:830nM, NIBR_cerulenin:1.6uM, HIPLAB_1,3−diallylurea:8.3mM); (HIPLAB_benomyl:22.9uM, HIPLAB_nocodazole:6uM, NIBR_nocodazole:8uM, NIBR_nocodazole:10uM, NIBR_nocodazole:12uM); (HIPLAB_tofa:1.1uM, NIBR_tofa:500nM, HIPLAB_tofa:880nM); (HIPLAB_tunicamycin:25nM, NIBR_tunicamycin:150nM, NIBR_tunicamycin:200nM, HIPLAB_tunicamycin:200.5nM); (HIPLAB_terbinafine:2.2uM, NIBR_terbinafine:12.4uM, NIBR_naftifine|A:71uM, NIBR_naftifine|B:71uM, HIPLAB_terbinafine:19.9uM, HIPLAB_butenafine:14.7uM); (HIPLAB_clotrimazole:625nM, NIBR_fluconazole:60uM, NIBR_clotrimazole:471nM, NIBR_cyproconazole:280nM, NIBR_fluconazole:30uM, NIBR_voriconazole:530nM, HIPLAB_voriconazole:435nM, HIPLAB_clotrimazole:1.4uM, HIPLAB_fluconazole:33.5uM, HIPLAB_fluconazole:20uM, HIPLAB_myclobutanil:7.7uM); (HIPLAB_itavastatin :7.2uM, HIPLAB_fluvastatin:17.1uM, NIBR_fluvastatin:57.2uM, HIPLAB_atorvastatin:60.2uM, HIPLAB_atorvastatin:78.7uM); (HIPLAB_alverine citrate:130uM, HIPLAB_dyclonine:31.2uM, HIPLAB_alverine citrate:64uM, NIBR_fenpropimorph:273nM, HIPLAB_haloperidol:116.4uM, NIBR_dyclonine:29.2uM, HIPLAB_amorolfine:100uM, HIPLAB_haloperidol:53.2uM, HIPLAB_fenpropimorph:62.5uM, HIPLAB_alverine citrate:93.8uM, HIPLAB_haloperidol:50.8uM); (HIPLAB_tacrolimus:100uM, NIBR_ascomycin:100uM, HIPLAB_tacrolimus:29.8uM); (HIPLAB_nigericin:15.3uM, NIBR_nigericin:8uM, NIBR_nigericin:12uM, NIBR_nigericin:15uM); (HIPLAB_amiodarone:34.4uM, NIBR_amiodarone|B:13.4uM, NIBR_amiodarone|A:13.4uM); (NIBR_chlorpromazine:25.3uM, HIPLAB_trifluoperazine:10.3uM, NIBR_trifluoperazine|A:7.3uM, NIBR_trifluoperazine|C:7.3uM); (HIPLAB_caspofungin:25nM, NIBR_caspofungin:7nM, NIBR_caspofungin|A:10nM, NIBR_ergokonin a:700nM, NIBR_caspofungin|B:10nM, NIBR_ergokonin a:910nM); (HIPLAB_caffeine:993.1uM, NIBR_caffeine:500uM, NIBR_caffeine:1mM, NIBR_caffeine:1.5mM, NIBR_caffeine:2mM); (HIPLAB_rapamycin:1nM, HIPLAB_rapamycin:4nM, HIPLAB_rapamycin:2nM, NIBR_rapamycin:500pM, NIBR_rapamycin:800pM, NIBR_rapamycin:1nM) Panel B (NIBR_methotrexate|B:200uM, NIBR_methotrexate|C:200uM, NIBR_methotrexate|D:200uM, NIBR_methotrexate|F:200uM, NIBR_methotrexate|A:200uM, NIBR_methotrexate|E:200uM, UBC_methotrexate:289.6uM, UBC_methotrexate:400uM); (NIBR_ravidomycin:10uM, NIBR_ravidomycin:12.8uM, UBC_epirubicin:18.1uM, UBC_daunorubicin:9.9uM, NIBR_doxorubicin|A:28.1uM, NIBR_doxorubicin|B:28.1uM, UBC_doxorubicin:7.6uM, UBC_doxorubicin:7.7uM, UBC_daunorubicin:22.4uM, UBC_daunorubicin:18.5uM, UBC_doxorubicin:8.1uM); (NIBR_5−fluorouracil:6.9uM, NIBR_flucytosine:8uM, UBC_5−fluorouridine:15.4uM, UBC_5−fluorouracil:457uM, UBC_5−fluorocytosine:1.1uM, UBC_5−fluorocytosine:377nM, UBC_carmofur:3.8uM); (NIBR_6−azauridine|A:200uM, NIBR_6−azauridine|B:200uM, NIBR_mycophenolic:120uM, NIBR_mycophenolic:70uM, NIBR_mycophenolic:100uM, UBC_mycophenolic:780.4nM, UBC_6−azauridine:81.6uM, UBC_mycophenolic:18.9uM, UBC_mycophenolic:32.9uM); (UBC_bleomycin:30.5nM, NIBR_bleomycin:50nM, NIBR_bleomycin:75nM); (UBC_hydroxyurea:18.1mM NIBR_hydroxyurea:8.3mM NIBR_hydroxyurea:16.6mM); (NIBR_mechlorethamine:95uM, UBC_mechlorethamine:29.7uM); (NIBR_mms:10nM, UBC_mms:110mM); (NIBR_aclarubicin:4.9uM, UBC_aclarubicin:5.5uM); (UBC_camptothecin:39.6uM, NIBR_camptothecin:200uM, UBC_camptothecin:424.9nM). Note that live versions of both of these figures are available on our accompanying interactive website Comparative chemogenomics where correlations and relations within and between experiments are more easily visualized