Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMQXYE9)

Drug Name
PD-158780 Drug Info
Synonyms
171179-06-9; PD158780; pd 158780; N4-(3-bromophenyl)-N6-methylpyrido[3,4-d]pyrimidine-4,6-diamine; AC1L1IRV; CHEMBL53753; PD 158780; 4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine; AK160389; 4-(3-bromoanilino)-6-methylaminopyrido[3,4-d]pyrimidine; 4-[(3-bromophenyl)amino]-6-(methylamino)pyrido[3,4-d]pyrimidine; 4-[(3-Bromophenyl)amino]-6-(methylamino)-pyrido[3,4-d]pyridimine; Pyrido[3,4-d]pyrimidine-4,6-diamine, N4-(3-bromophenyl)-N6-methyl-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Cross-matching ID
PubChem CID
4707
ChEBI ID
CHEBI:92843
CAS Number
CAS 171179-06-9
TTD Drug ID
DMQXYE9

Molecule-Related Drug Atlas

Molecule-Related Drug Atlas
Molecule Type:
DTT
DOT
Drug Status:
Approved Drug(s)
Download the Complete Related Drug List
Drug(s) Targeting Epidermal growth factor receptor (EGFR)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Sorafenib DMS8IFC Adenocarcinoma 2D40 Approved [5]
Lapatinib DM3BH1Y Breast cancer 2C60-2C65 Approved [6]
Gefitinib DM15F0X Colon adenocarcinoma Approved [7]
Erlotinib DMCMBHA Adrenal gland neoplasm Approved [8]
Vandetanib DMRICNP Solid tumour/cancer 2A00-2F9Z Approved [9]
Dacomitinib DMOH8VY Non-small-cell lung cancer 2C25.Y Approved [10]
BIBW 2992 DMTKD7Q Non-small-cell lung cancer 2C25.Y Approved [11]
SKI-758 DMQ8E9R Ischemia 8B10-8B11 Approved [12]
Epidermal growth factor DMVONE6 Vulnerary ND56.Z Approved [10]
Merimepodib DM0HS92 Breast cancer 2C60-2C65 Approved [13]
BIBW 2992 DMTKD7Q Non-small-cell lung cancer 2C25.Y Approved [14]
Gefitinib DM15F0X Colon adenocarcinoma Approved [15]
Erlotinib DMCMBHA Adrenal gland neoplasm Approved [16]
Lapatinib DM3BH1Y Breast cancer 2C60-2C65 Approved [17]
Gemcitabine DMSE3I7 Anterior urethra cancer Approved [18]
Cisplatin DMRHGI9 Adenocarcinoma 2D40 Approved [19]
Sertraline DM0FB1J Coronary heart disease BA80.Z Approved [20]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [21]
Selenium DM25CGV N. A. N. A. Approved [22]
Deoxycholic acid DM3GYAL Subcutaneous fat disorder EF02 Approved [23]
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Drug(s) Affected By Receptor tyrosine-protein kinase erbB-2 (ERBB2)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Trastuzumab DMZQOUX Breast cancer 2C60-2C65 Approved [24]
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [25]
Mechlorethamine DM0CVXA Chronic myelogenous leukaemia 2A20.0 Approved [26]
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [27]
Gefitinib DM15F0X Colon adenocarcinoma Approved [28]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [29]
Selenium DM25CGV N. A. N. A. Approved [30]
Methotrexate DM2TEOL Anterior urethra cancer Approved [31]
Quercetin DM3NC4M Obesity 5B81 Approved [32]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [33]
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Drug(s) Affected By Retinoblastoma-associated protein (RB1)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Indomethacin DMSC4A7 Bursitis Approved [34]
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [35]
Gefitinib DM15F0X Colon adenocarcinoma Approved [36]
Talazoparib DM1KS78 Breast cancer 2C60-2C65 Approved [37]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [29]
Trametinib DM2JGQ3 Melanoma 2C30 Approved [38]
Sulindac DM2QHZU Acute myelogenous leukaemia 2A41 Approved [39]
Methotrexate DM2TEOL Anterior urethra cancer Approved [40]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [41]
Quercetin DM3NC4M Obesity 5B81 Approved [32]
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Drug(s) Affected By Amphiregulin (AREG)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [42]
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [43]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [44]
Methotrexate DM2TEOL Anterior urethra cancer Approved [45]
Deoxycholic acid DM3GYAL Subcutaneous fat disorder EF02 Approved [23]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [46]
Estrone DM5T6US Acne vulgaris ED80 Approved [47]
Chlorpromazine DMBGZI3 Acute intermittent hepatic porphyria 5C58.11 Approved [48]
Marinol DM70IK5 Anorexia nervosa cachexia 6B80 Approved [49]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [50]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Receptor tyrosine-protein kinase erbB-3 (ERBB3)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [51]
Lapatinib DM3BH1Y Breast cancer 2C60-2C65 Approved [52]
Quercetin DM3NC4M Obesity 5B81 Approved [53]
Panobinostat DM58WKG Chronic graft versus host disease Approved [54]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [55]
Ciclosporin DMAZJFX Graft-versus-host disease 4B24 Approved [56]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [57]
Mitoxantrone DMM39BF Acute myelogenous leukaemia 2A41 Approved [58]
Etoposide DMNH3PG Acute myelogenous leukaemia 2A41 Approved [59]
Chloroquine DMSI5CB Malaria 1F40-1F45 Approved [60]
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Drug(s) Affected By Cyclin-dependent kinase 2 (CDK2)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [61]
Mechlorethamine DM0CVXA Chronic myelogenous leukaemia 2A20.0 Approved [62]
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [63]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [64]
Selenium DM25CGV N. A. N. A. Approved [65]
Ciprofloxacin XR DM2NLS9 Acute gonococcal cervicitis Approved [66]
Sulindac DM2QHZU Acute myelogenous leukaemia 2A41 Approved [67]
Methotrexate DM2TEOL Anterior urethra cancer Approved [68]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [69]
Quercetin DM3NC4M Obesity 5B81 Approved [32]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Retinoblastoma-like protein 1 (RBL1)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [61]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [70]
Methotrexate DM2TEOL Anterior urethra cancer Approved [45]
Quercetin DM3NC4M Obesity 5B81 Approved [71]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [72]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [73]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [74]
Testosterone DM7HUNW Hot flushes GA30 Approved [75]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [75]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [57]
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Drug(s) Affected By Cyclin-dependent kinase inhibitor 1B (CDKN1B)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [35]
Gefitinib DM15F0X Colon adenocarcinoma Approved [15]
Prednisone DM2HG4X Acute asthma CA23 Approved [76]
Methotrexate DM2TEOL Anterior urethra cancer Approved [77]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [78]
Lapatinib DM3BH1Y Breast cancer 2C60-2C65 Approved [17]
Quercetin DM3NC4M Obesity 5B81 Approved [79]
Fluoxetine DM3PD2C Bipolar depression Approved [80]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [81]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [82]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Retinoblastoma-like protein 2 (RBL2)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [29]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [83]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [84]
Leflunomide DMR8ONJ Arthritis FA20 Approved [85]
Ciclosporin DMAZJFX Graft-versus-host disease 4B24 Approved [56]
Testosterone enanthate DMB6871 N. A. N. A. Approved [86]
Palbociclib DMD7L94 Breast cancer 2C60-2C65 Approved [87]
Menthol DMG2KW7 Back pain ME84.Z Approved [88]
Cupric Sulfate DMP0NFQ Fungal infection 1F29-1F2F Approved [89]
Cisplatin DMRHGI9 Adenocarcinoma 2D40 Approved [90]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Receptor tyrosine-protein kinase erbB-4 (ERBB4)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Tretinoin DM49DUI Acne vulgaris ED80 Approved [91]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [92]
Testosterone DM7HUNW Hot flushes GA30 Approved [93]
Ibuprofen DM8VCBE Dysmenorrhea GA34.3 Approved [94]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [54]
Dexamethasone DMMWZET Acute adrenal insufficiency Approved [95]
Etoposide DMNH3PG Acute myelogenous leukaemia 2A41 Approved [59]
Cupric Sulfate DMP0NFQ Fungal infection 1F29-1F2F Approved [89]
Irinotecan DMP6SC2 Adenocarcinoma 2D40 Approved [96]
Arsenic DMTL2Y1 N. A. N. A. Approved [97]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas
Download the Complete Interaction Atlas for Visualization in Cytoscape

Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Epidermal growth factor receptor (EGFR) TTGKNB4 EGFR_HUMAN Inhibitor [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Amphiregulin (AREG) OTJFOR67 AREG_HUMAN Protein Interaction/Cellular Processes [3]
Cyclin-dependent kinase 2 (CDK2) OTB5DYYZ CDK2_HUMAN Gene/Protein Processing [4]
Cyclin-dependent kinase inhibitor 1B (CDKN1B) OTNY5LLZ CDN1B_HUMAN Gene/Protein Processing [4]
Epidermal growth factor receptor (EGFR) OTAPLO1S EGFR_HUMAN Gene/Protein Processing [4]
Receptor tyrosine-protein kinase erbB-2 (ERBB2) OTOAUNCK ERBB2_HUMAN Gene/Protein Processing [4]
Receptor tyrosine-protein kinase erbB-3 (ERBB3) OTRSST0A ERBB3_HUMAN Gene/Protein Processing [4]
Receptor tyrosine-protein kinase erbB-4 (ERBB4) OT9L6C41 ERBB4_HUMAN Gene/Protein Processing [4]
Retinoblastoma-associated protein (RB1) OTQJUJMZ RB_HUMAN Post-Translational Modifications [4]
Retinoblastoma-like protein 1 (RBL1) OTDEBFYC RBL1_HUMAN Gene/Protein Processing [4]
Retinoblastoma-like protein 2 (RBL2) OTBQSOE6 RBL2_HUMAN Gene/Protein Processing [4]

References

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25 Cannabidiol and Oxygen-Ozone Combination Induce Cytotoxicity in Human Pancreatic Ductal Adenocarcinoma Cell Lines. Cancers (Basel). 2020 Sep 27;12(10):2774. doi: 10.3390/cancers12102774.
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27 Estrogen regulation in human breast cancer cells of new downstream gene targets involved in estrogen metabolism, cell proliferation and cell transformation. J Mol Endocrinol. 2004 Apr;32(2):397-414.
28 Epidermal growth factor receptor activity determines response of colorectal cancer cells to gefitinib alone and in combination with chemotherapy. Clin Cancer Res. 2005 Oct 15;11(20):7480-9. doi: 10.1158/1078-0432.CCR-05-0328.
29 Microarray analysis of H2O2-, HNE-, or tBH-treated ARPE-19 cells. Free Radic Biol Med. 2002 Nov 15;33(10):1419-32.
30 Selenium and vitamin E: cell type- and intervention-specific tissue effects in prostate cancer. J Natl Cancer Inst. 2009 Mar 4;101(5):306-20.
31 Functional gene expression profile underlying methotrexate-induced senescence in human colon cancer cells. Tumour Biol. 2011 Oct;32(5):965-76.
32 Inhibition of prostate cancer cell colony formation by the flavonoid quercetin correlates with modulation of specific regulatory genes. Clin Diagn Lab Immunol. 2004 Jan;11(1):63-9. doi: 10.1128/cdli.11.1.63-69.2004.
33 Development of a neural teratogenicity test based on human embryonic stem cells: response to retinoic acid exposure. Toxicol Sci. 2011 Dec;124(2):370-7.
34 Indomethacin inhibits cell growth of medullary thyroid carcinoma by reducing cell cycle progression into S phase. Exp Biol Med (Maywood). 2008 Nov;233(11):1433-40. doi: 10.3181/0804-RM-127. Epub 2008 Sep 12.
35 Therapeutically activating RB: reestablishing cell cycle control in endocrine therapy-resistant breast cancer. Endocr Relat Cancer. 2011 Apr 28;18(3):333-45. doi: 10.1530/ERC-10-0262. Print 2011 Jun.
36 Effects and mechanisms of betulinic acid on improving EGFR TKI-resistance of lung cancer cells. Environ Toxicol. 2018 Nov;33(11):1153-1159.
37 BMN 673 (talazoparib): A potent PARP inhibitor for triple negative breast cancer with different genetic profile. J Biochem Mol Toxicol. 2019 May;33(5):e22286. doi: 10.1002/jbt.22286. Epub 2019 Jan 23.
38 Combination small molecule MEK and PI3K inhibition enhances uveal melanoma cell death in a mutant GNAQ- and GNA11-dependent manner. Clin Cancer Res. 2012 Aug 15;18(16):4345-55. doi: 10.1158/1078-0432.CCR-11-3227. Epub 2012 Jun 25.
39 Sulindac induces specific degradation of the HPV oncoprotein E7 and causes growth arrest and apoptosis in cervical carcinoma cells. Cancer Lett. 2007 Jan 8;245(1-2):103-11. doi: 10.1016/j.canlet.2005.12.034. Epub 2006 Feb 20.
40 Melanoma coordinates general and cell-specific mechanisms to promote methotrexate resistance. Exp Cell Res. 2012 Jun 10;318(10):1146-59.
41 HMG-CoA reductase inhibitor simvastatin inhibits cell cycle progression at the G1/S checkpoint in immortalized lymphocytes from Alzheimer's disease patients independently of cholesterol-lowering effects. J Pharmacol Exp Ther. 2008 Jan;324(1):352-9. doi: 10.1124/jpet.107.128959. Epub 2007 Oct 10.
42 Cannabidiol enhances cytotoxicity of anti-cancer drugs in human head and neck squamous cell carcinoma. Sci Rep. 2020 Nov 26;10(1):20622. doi: 10.1038/s41598-020-77674-y.
43 Analysis of estrogen agonism and antagonism of tamoxifen, raloxifene, and ICI182780 in endometrial cancer cells: a putative role for the epidermal growth factor receptor ligand amphiregulin. J Soc Gynecol Investig. 2005 Oct;12(7):e55-67.
44 Gene expression after treatment with hydrogen peroxide, menadione, or t-butyl hydroperoxide in breast cancer cells. Cancer Res. 2002 Nov 1;62(21):6246-54.
45 Global molecular effects of tocilizumab therapy in rheumatoid arthritis synovium. Arthritis Rheumatol. 2014 Jan;66(1):15-23.
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47 Moving toward integrating gene expression profiling into high-throughput testing: a gene expression biomarker accurately predicts estrogen receptor alpha modulation in a microarray compendium. Toxicol Sci. 2016 May;151(1):88-103.
48 Effects of chlorpromazine with and without UV irradiation on gene expression of HepG2 cells. Mutat Res. 2005 Aug 4;575(1-2):47-60. doi: 10.1016/j.mrfmmm.2005.03.002. Epub 2005 Apr 26.
49 THC exposure of human iPSC neurons impacts genes associated with neuropsychiatric disorders. Transl Psychiatry. 2018 Apr 25;8(1):89. doi: 10.1038/s41398-018-0137-3.
50 Amphiregulin is a vitamin D3 target gene in squamous cell and breast carcinoma. Biochem Biophys Res Commun. 2001 Mar 9;281(4):1051-6. doi: 10.1006/bbrc.2001.4466.
51 Arsenite and cadmium promote the development of mammary tumors. Carcinogenesis. 2020 Jul 14;41(7):1005-1014. doi: 10.1093/carcin/bgz176.
52 Suppression of HER2/HER3-mediated growth of breast cancer cells with combinations of GDC-0941 PI3K inhibitor, trastuzumab, and pertuzumab. Clin Cancer Res. 2009 Jun 15;15(12):4147-56. doi: 10.1158/1078-0432.CCR-08-2814. Epub 2009 Jun 9.
53 Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
54 A transcriptome-based classifier to identify developmental toxicants by stem cell testing: design, validation and optimization for histone deacetylase inhibitors. Arch Toxicol. 2015 Sep;89(9):1599-618.
55 Identification of vitamin D3 target genes in human breast cancer tissue. J Steroid Biochem Mol Biol. 2016 Nov;164:90-97.
56 Comparison of HepG2 and HepaRG by whole-genome gene expression analysis for the purpose of chemical hazard identification. Toxicol Sci. 2010 May;115(1):66-79.
57 Stem cell transcriptome responses and corresponding biomarkers that indicate the transition from adaptive responses to cytotoxicity. Chem Res Toxicol. 2017 Apr 17;30(4):905-922.
58 Identification of genomic biomarkers for anthracycline-induced cardiotoxicity in human iPSC-derived cardiomyocytes: an in vitro repeated exposure toxicity approach for safety assessment. Arch Toxicol. 2016 Nov;90(11):2763-2777.
59 The DNA damaging agent VP16 induces the expression of a subset of ligands from the EGF system in bladder cancer cells, whereas none of the four EGF receptors are induced. Mol Cell Biochem. 2004 May;260(1-2):129-35. doi: 10.1023/b:mcbi.0000026063.96267.98.
60 Sulindac metabolites induce proteosomal and lysosomal degradation of the epidermal growth factor receptor. Cancer Prev Res (Phila). 2010 Apr;3(4):560-72. doi: 10.1158/1940-6207.CAPR-09-0159. Epub 2010 Mar 23.
61 Cannabidiol-induced transcriptomic changes and cellular senescence in human Sertoli cells. Toxicol Sci. 2023 Feb 17;191(2):227-238. doi: 10.1093/toxsci/kfac131.
62 G2 delay induced by nitrogen mustard in human cells affects cyclin A/cdk2 and cyclin B1/cdc2-kinase complexes differently. J Biol Chem. 1993 Apr 15;268(11):8298-308.
63 Estrogen receptor regulates E2F1 expression to mediate tamoxifen resistance. Mol Cancer Res. 2010 Mar;8(3):343-52. doi: 10.1158/1541-7786.MCR-09-0395. Epub 2010 Mar 9.
64 Down-regulation and decreased activity of cyclin-dependent kinase 2 in H2O2-induced premature senescence. Int J Biochem Cell Biol. 2003 Feb;35(2):246-54. doi: 10.1016/s1357-2725(02)00129-2.
65 Selenite and selenomethionine promote HL-60 cell cycle progression. J Nutr. 2002 Apr;132(4):674-9. doi: 10.1093/jn/132.4.674.
66 Ciprofloxacin mediated cell growth inhibition, S/G2-M cell cycle arrest, and apoptosis in a human transitional cell carcinoma of the bladder cell line. Clin Cancer Res. 2000 Mar;6(3):891-900.
67 Nonsteroidal anti-inflammatory drugs inhibit growth of human neuroendocrine tumor cells via G1 cell-cycle arrest. Int J Cancer. 2003 Dec 10;107(5):844-53. doi: 10.1002/ijc.11446.
68 Peripheral blood expression of nuclear factor-kappab-regulated genes is associated with rheumatoid arthritis disease activity and responds differentially to anti-tumor necrosis factor-alpha versus methotrexate. J Rheumatol. 2007 Sep;34(9):1817-22. Epub 2007 Aug 1.
69 Simvastatin inhibits cell growth and induces apoptosis and G0/G1 cell cycle arrest in hepatic cancer cells. Int J Mol Med. 2010 Nov;26(5):735-41. doi: 10.3892/ijmm_00000520.
70 Oxidative stress induces protein phosphatase 2A-dependent dephosphorylation of the pocket proteins pRb, p107, and p130. J Biol Chem. 2003 May 23;278(21):19509-17. doi: 10.1074/jbc.M300511200. Epub 2003 Mar 5.
71 Quercetin potentiates apoptosis by inhibiting nuclear factor-kappaB signaling in H460 lung cancer cells. Biol Pharm Bull. 2013;36(6):944-51. doi: 10.1248/bpb.b12-01004.
72 Effects of ciglitazone and troglitazone on the proliferation of human stomach cancer cells. World J Gastroenterol. 2009 Jan 21;15(3):310-20.
73 Transcriptional and Metabolic Dissection of ATRA-Induced Granulocytic Differentiation in NB4 Acute Promyelocytic Leukemia Cells. Cells. 2020 Nov 5;9(11):2423. doi: 10.3390/cells9112423.
74 Redistribution of cell cycle by arsenic trioxide is associated with demethylation and expression changes of cell cycle related genes in acute promyelocytic leukemia cell line (NB4). Ann Hematol. 2018 Jan;97(1):83-93. doi: 10.1007/s00277-017-3163-y. Epub 2017 Nov 20.
75 Effects of 1alpha,25 dihydroxyvitamin D3 and testosterone on miRNA and mRNA expression in LNCaP cells. Mol Cancer. 2011 May 18;10:58.
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