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Center for Computational Systems Medicine
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Dataset summary

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Drug summary

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Umap of single cell types and conditions (resistant and sensitive)

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Comparison of cell composition between the resistant and sensitive groups (This dataset does not contain this module)

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Comparison of intra-tumor heterogeneity (ITH) and epithelial-mesenchymal transition (EMT) scores of malignant cells between the resistant and sensitive groups

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Difference of cell-cell interactions between the resistant and sensitive groups (This dataset does not contain this module)

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Differentially expressed genes (DEGs) between the resistant and sensitive groups for each cell type

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Mechanism analysis of drug resistance-related DEGs for each cell type in the pre-treatment samples (This dataset does not contain this module)

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Mechanism analysis of drug resistance-related DEGs for each cell type in the post-treatment samples (This dataset does not contain this module)

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Mechanism analysis of drug resistance-related DEGs for each cell type in one patient or cell lines

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MicroRNAs (miRNAs) regulating drug resistance-related DEGs for Malignant cells

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Motifs and transcription factors (TFs) regulating drug resistance-related DEGs for each cell type

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Differentially expressed genes act as transcription factors

Dataset: GSE164897_VemTra

Dataset summary for GSE164897_VemTra

Datast informationDatasetGSE164897_VemTra
PMID34591417
Raw data ID/linkPRJNA692421
OrganismHomo sapiens
SourceA375 cell line
TissueCell line
Cancer type level1Melanoma
Cancer type level2B+E2:E57RAFV600E-mutant melanoma
Regimenvemurafenib + trametinib
Drug typeTargeted therapy
Sample sizeresistant 1, sensitive 1
Cell number15718
Extract protocol10x genomics
Data processingCellRanger
Public datePublic on Jan 16, 2021
DescriptionThis dataset has 1 cell line with a sensitive pre-treatment sample and a resistant post-treatment sample.

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Drug summary for GSE164897_VemTra

Drug nameDrugBank IDDrug typeTargets nameTargets uniprot ID
"Vemurafenib"

DB08881

small moleculeBRAFP15056
"Trametinib"

DB08911

small moleculeMAP2K1; MAP2K2Q02750; P36507

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Umap of single cell types and conditions (resistant and sensitive)

check buttonUmap of cell types and conditions (resistant and sensitive). If this dataset has both pre-treatment and post-treatment samples, the cell types were annotated together. If this dataset is a cell line dataset, the UMAP of cell clusters and the cell ratio of drug-resistant and sensitive groups within each cluster will also be shown. (If the image exists, the user can click on it to enlarge it in a new window.)
Umap of cell typesboxplotUmap of conditionsboxplot
Umap of cell clustersboxplotCell ratio of drug-resistant and sensitive groups within each clusterboxplot

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Comparison of cell composition between the resistant and sensitive groups

check buttonIn the pre-treatment samples, the cell composition of the resistant and sensitive groups were compared.
* represents significant difference.
(If the image exists, the user can click on it to enlarge it in a new window.)

check buttonIn the post-treatment samples, the cell composition of the resistant and sensitive groups were compared.
* represents significant difference.
(If the image exists, the user can click on it to enlarge it in a new window.)

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Comparison of ITH and EMT scores of malignant cells between the resistant and sensitive groups

check buttonComparison of ITH (intra-tumoral heterogeneity) and EMT (epithelial-mesenchymal transition) scores of malignant cells between the resistant and sensitive groups. ITH represents intratumoral heterogeneity, EMT represents epithelial mesenchymal transition, pre represents pre-treatment, post represents post-treatment, post2 represents longer post-treatment. (If the image exists, the user can click on it to enlarge it in a new window.)
Comparison of ITH scoresboxplotComparison of EMT scoresboxplot

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Difference of cell-cell interactions between the resistant and sensitive groups

check buttonIn the pre-treatment samples, the difference in cell-cell interactions between the resistant and sensitive groups was compared. The numbers indicate the count of cell-cell interactions that were either higher or lower in the resistant group compared to the sensitive group. The dot plots of significant ligand-receptor pairs in the resistant group and sensitive group are subsequently displayed. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

check buttonIn the post-treatment samples, the difference in cell-cell interactions between the resistant and sensitive groups was compared. The numbers indicate the count of cell-cell interactions that were either higher or lower in the resistant group compared to the sensitive group. The dot plots of significant ligand-receptor pairs in the resistant group and sensitive group are subsequently displayed. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

check buttonThis dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. The difference in cell-cell interactions between the resistant and sensitive groups was compared. The numbers indicate the count of cell-cell interactions that were either higher or lower in the resistant group compared to the sensitive group. The dot plots of significant ligand-receptor pairs in the resistant group and sensitive group are subsequently displayed. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

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Differentially expressed genes (DEGs) between the resistant and sensitive groups for each cell type

check buttonIn the pre-treatment samples, the differentially expressed genes (|avg_log2FC|>0.25 & p_val_adj<0.05) between the resistant and sensitive groups for each cell type.

check buttonIn the post-treatment samples, the differentially expressed genes (|avg_log2FC|>0.25 & p_val_adj<0.05) between the resistant and sensitive groups for each cell type.

check buttonThis dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. The following are differentially expressed genes (|avg_log2FC|>0.25 & p_val_adj<0.05) between the resistant and sensitive groups for each cell type.
Gene symbolGene idavg_log2FCp_valp_val_adjpct.1pct.2Cell typeTimepoint

ATP5PF

ENSG000001547230.682730.00e+000.00e+000.9630.903Malignant cellsNA

PSMB4

ENSG000001593770.680420.00e+000.00e+000.6910.513Malignant cellsNA

MALAT1

ENSG000002515620.6781210.00e+000.00e+0010.999Malignant cellsNA

IFITM2

ENSG000001852010.6778760.00e+000.00e+000.5180.202Malignant cellsNA

CALR

ENSG000001792180.6772720.00e+000.00e+000.6860.534Malignant cellsNA

RPL10

ENSG000001474030.6769870.00e+000.00e+0011Malignant cellsNA

MORF4L1

ENSG000001857870.6654470.00e+000.00e+000.6920.52Malignant cellsNA

ATP5MC2

ENSG000001353900.6647050.00e+000.00e+000.9980.987Malignant cellsNA

PSMB5

ENSG000001008040.6613660.00e+000.00e+000.8120.683Malignant cellsNA

DIO2

ENSG000002114480.6602720.00e+000.00e+000.2540Malignant cellsNA

YWHAG

ENSG000001700270.652340.00e+000.00e+000.4870.175Malignant cellsNA

MT-ND5

ENSG000001987860.6510520.00e+000.00e+000.9270.838Malignant cellsNA

MGP

ENSG000001113410.6450620.00e+000.00e+000.2760.01Malignant cellsNA

RPL24

ENSG000001143910.642670.00e+000.00e+0011Malignant cellsNA

POMP

ENSG000001329630.6425750.00e+000.00e+000.8860.768Malignant cellsNA

RTL8C

ENSG000001345900.6376540.00e+000.00e+000.4630.153Malignant cellsNA

PPP3CA

ENSG000001388140.6359030.00e+000.00e+000.3960.086Malignant cellsNA

MRPL51

ENSG000001116390.6353680.00e+000.00e+000.9170.833Malignant cellsNA

RHOBTB3

ENSG000001642920.6348290.00e+000.00e+000.4240.118Malignant cellsNA

HSBP1

ENSG000002309890.6345770.00e+000.00e+000.9050.803Malignant cellsNA

CAV1

ENSG000001059740.6337090.00e+000.00e+000.4810.27Malignant cellsNA

XIST

ENSG000002298070.6332560.00e+000.00e+000.4930.205Malignant cellsNA

RPL32

ENSG000001447130.6248920.00e+000.00e+0011Malignant cellsNA

GLRX

ENSG000001732210.6192590.00e+000.00e+000.4390.146Malignant cellsNA

TGOLN2

ENSG000001522910.6177220.00e+000.00e+000.4720.182Malignant cellsNA

SUB1

ENSG000001133870.6135730.00e+000.00e+000.7850.669Malignant cellsNA

GABARAP

ENSG000001702960.6015220.00e+000.00e+000.3810.056Malignant cellsNA

LRRC75A

ENSG000001813500.6003930.00e+000.00e+000.3160.064Malignant cellsNA

SF3B6

ENSG000001151280.6000430.00e+000.00e+000.7910.688Malignant cellsNA

RPL19

ENSG000001082980.5984090.00e+000.00e+0011Malignant cellsNA

GAGE2A

ENSG000001890640.5959270.00e+000.00e+000.3370.026Malignant cellsNA

EEF1A1

ENSG000001565080.595120.00e+000.00e+0011Malignant cellsNA

ATP5PO

ENSG000002418370.5934010.00e+000.00e+000.7730.672Malignant cellsNA

TAX1BP1

ENSG000001060520.5903350.00e+000.00e+000.5250.306Malignant cellsNA

PLOD1

ENSG000000834440.5892760.00e+000.00e+000.4330.155Malignant cellsNA

SSR3

ENSG000001148500.5855610.00e+000.00e+000.5740.377Malignant cellsNA

IGFBP4

ENSG000001417530.5804260.00e+000.00e+000.3680.083Malignant cellsNA

UBL5

ENSG000001982580.5787230.00e+000.00e+000.9930.977Malignant cellsNA

DAD1

ENSG000001295620.5775240.00e+000.00e+000.5060.301Malignant cellsNA

ZDHHC12-DT

ENSG000002234780.5739920.00e+000.00e+000.3830.075Malignant cellsNA

CCDC102B

ENSG000001506360.5718930.00e+000.00e+000.3570.058Malignant cellsNA

RPL23A

ENSG000001982420.5645930.00e+000.00e+0011Malignant cellsNA

VAMP8

ENSG000001186400.5625720.00e+000.00e+000.430.155Malignant cellsNA

MICOS10

ENSG000001734360.5565670.00e+000.00e+000.6830.563Malignant cellsNA

RPS15A

ENSG000001344190.5522260.00e+000.00e+0011Malignant cellsNA

LEPROT

ENSG000002136250.5508370.00e+000.00e+000.4380.182Malignant cellsNA

SEMA3C

ENSG000000752230.5504390.00e+000.00e+000.3480.064Malignant cellsNA

PSMA2

ENSG000001065880.5499080.00e+000.00e+000.5320.357Malignant cellsNA

MTPN

ENSG000001058870.5447540.00e+000.00e+000.5040.275Malignant cellsNA

MAP1B

ENSG000001317110.540810.00e+000.00e+000.4980.319Malignant cellsNA
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Mechanism analysis of drug resistance-related DEGs for each cell type in the pre-treatment samples

check buttonEnrichment results for 5 known drug-resistant mechanisms in malignant cells and 1 known mechanism in TME cells.The "Signature" column represents the differentially expressed genes (DEGs) used for enrichment. The "Geneset" column represents the genes included in this mechanism. The "Overlap" column represents the number of genes in the "Geneset" that are enriched in the "Signature". The "Enriched Genes" column represents the genes in the "Geneset" that are enriched in the "Signature". (If the image exists, the user can click on it to enlarge it in a new window.)

check buttonHallmark, KEGG and GOBP enrichment results for up-regulated genes in resistant group of pre-treatment samples. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

check buttonHallmark, KEGG and GOBP enrichment results for down-regulated genes in resistant group of pre-treatment samples. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window.Complete files can be downloaded from the download section.)

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Mechanism analysis of drug resistance-related DEGs for each cell type in the post-treatment samples

check buttonEnrichment results for 5 known drug resistance mechanisms in malignant cells and 1 known mechanism in TME cells.The "Signature" column represents the differentially expressed genes (DEGs) used for enrichment. The "Geneset" column represents the genes included in this mechanism. The "Overlap" column represents the number of genes in the "Geneset" that are enriched in the "Signature". The "Enriched Genes" column represents the genes in the "Geneset" that are enriched in the "Signature". (If the image exists, the user can click on it to enlarge it in a new window.)

check buttonHallmark, KEGG and GOBP enrichment results for up-regulated genes in resistant group of post-treatment samples. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

check buttonHallmark, KEGG and GOBP enrichment results for down-regulated genes in resistant group of post-treatment samples. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)

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Mechanism analysis of drug resistance-related DEGs for each cell type in one patient or cell lines

check buttonThis dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. Enrichment results for 5 known drug resistance mechanisms in malignant cells and 1 known mechanism in TME cells are shown here.The "Signature" column represents the differentially expressed genes (DEGs) used for enrichment. The "Geneset" column represents the genes included in this mechanism. The "Overlap" column represents the number of genes in the "Geneset" that are enriched in the "Signature". The "Enriched Genes" column represents the genes in the "Geneset" that are enriched in the "Signature". (If the image exists, the user can click on it to enlarge it in a new window.)
Enrichment results for 5 known drug resistance mechanisms in malignant cells
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MechnismPvalFDRSignatureGenesetOverlapBackgroundCell typeEnriched Genes
Unusual Activation of Pro-survival Pathway3.90e-062.00e-0514807818223467Malignant cellsBAX,CDK4,CTNNB1,DNMT1,DUSP6,GSTP1,HMGA1,HMGA2,HMGB1,PKM,MAP1LC3B,NFKB1,PARP1,RHOA,S100A4,SHC1,ST3GAL4,SOX4,STMN1,SLC25A5,AKAP12,ALDH1A3,ATG3,BAD,BID,BRD4,CCND1,CD44,HSPD1,CLTC,CAPNS1,DDIT3,EIF3A,HSP90B1,ERCC1,FTL,FUS,GAPDH,NR3C1,HSPA8,HSPB1,EIF4A1,IL24,KDM5B,LDHA,MTDH,MAGEA3,NQO1,PGK1,AGPAT2,POMP,PRKDC,PSMB5,PSMG2,RAC1,RAP1B,ERBB3,RRM2,HNRNPA1,SDHB,SMC4,SRI,SOX10,SRSF2,STAT3,TGFA,TGFB2,TMED3,TMEM54,TOP1,UBE2C,YBX1,ENO1,MAGEA4,GNAS,CALR,NPM1,EIF4EBP1,PPP3CA,PMVK,TRIB3,BIRC2
Drug Inactivation by Structure Modification2.40e-016.00e-01148027323467Malignant cellsGSTP1,GSS,NME1
Irregularity in Drug Uptake and Drug Efflux6.90e-011.00e+00148037223467Malignant cellsSLC3A2,SLC7A5
Aberration of the Drug's Therapeutic Target8.30e-011.00e+00148090423467Malignant cellsCDK4,NPM1,COMT,TOP2A
Epigenetic Alteration of DNA, RNA or Protein1.00e+001.00e+0014804551323467Malignant cellsDNMT1,EIF4G2,LMNA,TRIP6,PMAIP1,GAPDH,SMC4,TIMP1,MALAT1,GDI2,PPP1R15A,MT-CO2,NORAD


check buttonHallmark, KEGG and GOBP enrichment results for up-regulated genes in resistant group. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)
Up-regulated HallmarkUp-regulated KEGGUp-regulated GO BP

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check buttonHallmark, KEGG and GOBP enrichment results for down-regulated genes in resistant group. Only show the top 50 pathways with fdr<0.05. If certain cell types are not displayed, it means that there are no significant pathways based on DEGs in those cell types. (If the image exists, the user can click on it to enlarge it in a new window. Complete files can be downloaded from the download section.)
Down-regulated HallmarkDown-regulated KEGGDown-regulated GO BP

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MicroRNAs (miRNAs) regulating drug resistance-related DEGs for malignant cells

check buttonIn the pre-treatment samples, the miRNAs with a score greater than 80 that regulate the top10 abs(avg_log2FC) drug resistance-related DEGs for malignant cells are shown here. If the gene does not have any miRNAs with a score greater than 80, it will not be shown. Here only the names of miRNAs with a score greater than 90 are shown, but some names will not be shown because of too many overlaps. (Complete files containing all datasets and cell types can be downloaded from the download section.)

check buttonIn the post-treatment samples, the miRNAs with a score greater than 80 that regulate the top10 abs(avg_log2FC) drug resistance-related DEGs for Malignant cells are shown here. If the gene does not have any miRNAs with a score greater than 80, it will not be shown. Here only the names of miRNAs with a score greater than 90 are shown, but some names will not be shown because of too many overlaps. (Complete files containing all datasets and cell types can be downloaded from the download section.)

check buttonThis dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. The miRNAs with a score greater than 80 that regulate the top10 abs(avg_log2FC) drug resistance-related DEGs for Malignant cells are shown here. Here only the names of miRNAs with a score greater than 80 are shown, but some names will not be shown because of too many overlaps. If the gene does not have any miRNAs with a score greater than 90, it will not be shown. (Complete files containing all datasets and cell types can be downloaded from the download section.)
Regulating up-regulated DEGs in resistant groupRegulating down-regulated DEGs in resistant group
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Motifs and transcription factors (TFs) regulating drug resistance-related DEGs for each cell type

check buttonIn the pre-treatment samples, the motifs and TFs that regulate drug resistance-related DEGs for each cell type are shown here. (Complete files can be downloaded from the download section.)

check buttonIn the post-treatment samples, the motifs and TFs that regulate drug resistance-related DEGs for each cell type are shown here. (Complete files can be downloaded from the download section.)

check buttonThis dataset only has one patient or is a cell line dataset, the resistant sample is the post-treatment sample and the sensitive sample is the pre-treatment sample. Motifs and TFs that regulate drug resistance-related DEGs for each cell type are shown here. (Complete files can be downloaded from the download section.)
Motifs and TFs regulating up-regulated DEGs in resistant group
motifmotifNESAUCTF_highConfCell_type
motifhdpi__TP735.090.0783TP73 (directAnnotation). Malignant cells
motifmetacluster_141.44.770.0751GLIS2 (directAnnotation). Malignant cells
motifswissregulon__hs__ETV64.220.0695ETV6 (directAnnotation). Malignant cells
motifhocomoco__TYY2_HUMAN.H11MO.0.D4.110.0683YY2 (directAnnotation). Malignant cells
motiftransfac_pro__M061354.070.068ZNF28 (directAnnotation). Malignant cells
motifmetacluster_141.64.010.0673MZF1; TAF1; YY1; YY1; YY1; YY1; YY1; YY1; YY1; YY1; YY1; YY1; YY1; YY1; YY2; YY2; ZFP42; ZFP42; ZFP42; ZFP42; ZFP42; ZFP42; ZNF597 (directAnnotation). TAF1; TAF1L (inferredBy_Orthology). Malignant cells
motifflyfactorsurvey__pho_SOLEXA_F1-33.810.0653YY1 (inferredBy_Orthology). Malignant cells
motiftaipale_tf_pairs__ETV5_HOXA2_RSCGGWAATKR_CAP3.540.0626ETV5; HOXA2 (directAnnotation). Malignant cells
motifmetacluster_155.33.470.0619PLAG1 (directAnnotation). PLAG1 (inferredBy_Orthology). Malignant cells
motiftaipale_tf_pairs__ELK1_TEF_NSCGGAWNTTACGTAAN_CAP3.270.0598ELK1; TEF (directAnnotation). Malignant cells
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Motifs and TFs regulating down-regulated DEGs in resistant group
motifmotifNESAUCTF_highConfCell_type
motiftaipale_tf_pairs__ETS2_RCCGGAAGTG_HT8.660.0737ETS2 (directAnnotation). Malignant cells
motiftransfac_pro__M048267.510.0667EP300 (directAnnotation). Malignant cells
motifjaspar__MA1483.26.570.061ELF2 (directAnnotation). Malignant cells
motifhdpi__FLI16.320.0595FLI1 (directAnnotation). Malignant cells
motifmetacluster_191.36.250.0591EHF; ELF1; ELF1; ELF1; ELF4; ELK1; ELK3; ELK3; ELK4; ELK4; ERF; ETS1; ETS2; ETV3; ETV4; ETV5; FEV; FEV; FLI1; FLI1; GABPA; GABPA; GABPA; GABPA; GABPA; GABPA; SPDEF; ZNF200 (directAnnotation). ELK1; ELK1; ELK3; ELK3; ELK4; ELK4; ETV1; ETV1; ETV4; ETV4; ETV4; ETV5; GABPA; GABPA (inferredBy_Orthology). Malignant cells
motifmetacluster_191.26.150.0584ELK4; NR2C2; NR2C2; NR2C2; NR2C2 (directAnnotation). GABPA (inferredBy_Orthology). Malignant cells
motifmetacluster_166.25.860.0567ELK4; ETS1; ETS1; ETV1; ETV3; ETV4; ETV5; ETV7 (directAnnotation). GABPA (inferredBy_Orthology). Malignant cells
motiftaipale_tf_pairs__ELF2_NATGCGGAAGTR_HT5.760.0561ELF2 (directAnnotation). Malignant cells
motifmetacluster_166.45.730.0559BCLAF1; EHF; ELF1; ELF1; ELF1; ELF1; ELF1; ELF1; ELF2; ELF2; ELF4; ELK1; ELK1; ELK1; ELK1; ELK1; ELK1; ELK1; ELK1; ELK1; ELK3; ELK3; ELK3; ELK3; ELK4; ERG; ERG; ERG; ERG; ETS1; ETS1; ETS1; ETS1; ETS1; ETV1; ETV1; ETV1; ETV1; ETV2; ETV3; ETV4; ETV4; ETV4; ETV4; ETV4; ETV5; ETV7; FEV; FEV; FLI1; FLI1; FLI1; FLI1; GABPA; GABPA; GABPA; GABPA; GABPA; GABPA; GABPB1; GATAD1; PHF20; ZBTB25; ZBTB40 (directAnnotation). EHF; ELF1; ELF1; ELF3; ELF5; ELK3; ELK4; ERG; ETS1; ETV1; ETV2; ETV4; FLI1; GABPA; GABPA (inferredBy_Orthology). Malignant cells
motifjaspar__MA1933.15.610.0551SREBF2 (directAnnotation). Malignant cells
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Differentially expressed genes act as transcription factors

check buttonThis table shows the differentially expressed genes that act as transcription factors. (Complete files can be downloaded from the download section.)
TFmotifExpressionCell typeTimepoint

ETV4

metacluster_191.3downMalignant cellsNA

ETV4

metacluster_166.2downMalignant cellsNA

ETV4

metacluster_166.4downMalignant cellsNA

ETV4

taipale_tf_pairs__HOXB2_ETV4_ACCGGAAATGAN_CAPdownMalignant cellsNA

ETV4

hdpi__ETV4downMalignant cellsNA

ETV4

taipale_tf_pairs__FOXO1_ETV4_RCCGGAWGTKKN_CAPdownMalignant cellsNA

ETV4

metacluster_138.2downMalignant cellsNA

ETV4

taipale_tf_pairs__HOXB2_ETV4_ACCGGAAATGAN_CAPdownMalignant cellsNA

ETV4

taipale_tf_pairs__GCM1_ETV4_RTGCGGGCGGAAGTR_CAPdownMalignant cellsNA
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1"Sun X, Zhang Y, Li H, Zhou Y, Shi S, Chen Z, He X, Zhang H, Li F, Yin J, Mou M, Wang Y, Qiu Y, Zhu F. DRESIS: the first comprehensive landscape of drug resistance information. Nucleic Acids Res. 2023 Jan 6;51(D1):D1263-D1275. doi: 10.1093/nar/gkac812. PMID: 36243960; PMCID: PMC9825618."
2"Wishart DS, Feunang YD, Guo AC, Lo EJ, Marcu A, Grant JR, Sajed T, Johnson D, Li C, Sayeeda Z, Assempour N, Iynkkaran I, Liu Y, Maciejewski A, Gale N, Wilson A, Chin L, Cummings R, Le D, Pon A, Knox C, Wilson M. DrugBank 5.0: a major update to the DrugBank database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082. doi: 10.1093/nar/gkx1037. PMID: 29126136; PMCID: PMC5753335."