General Information of Drug Combination (ID: DCMJLPF)

Drug Combination Name
Docetaxel Bosentan
Indication
Disease Entry Status REF
Chronic myelogenous leukemia Investigative [1]
Component Drugs Docetaxel   DMDI269 Bosentan   DMIOGBU
Small molecular drug Small molecular drug
2D MOL 2D MOL
3D MOL 3D MOL
High-throughput Screening Result Testing Cell Line: KBM-7
Zero Interaction Potency (ZIP) Score: 1.43
Bliss Independence Score: 1.43
Loewe Additivity Score: 1.91
LHighest Single Agent (HSA) Score: 1.91

Molecular Interaction Atlas of This Drug Combination

Molecular Interaction Atlas (MIA)
Indication(s) of Docetaxel
Disease Entry ICD 11 Status REF
Advanced cancer 2A00-2F9Z Approved [2]
Breast carcinoma N.A. Approved [2]
Head and neck cancer 2D42 Approved [2]
Leiomyosarcoma 2B58 Approved [2]
Lung cancer 2C25.0 Approved [2]
Non-small-cell lung cancer 2C25.Y Approved [2]
Prostate adenocarcinoma N.A. Approved [2]
Prostate cancer 2C82.0 Approved [2]
Solid tumour/cancer 2A00-2F9Z Approved [3]
Urinary system neoplasm N.A. Approved [2]
Gastric cancer 2B72 Investigative [2]
Docetaxel Interacts with 1 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
Tubulin (TUB) TTML2WA NOUNIPROTAC Inhibitor [9]
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Docetaxel Interacts with 8 DTP Molecule(s)
DTP Name DTP ID UniProt ID Mode of Action REF
Multidrug resistance-associated protein 1 (ABCC1) DTSYQGK MRP1_HUMAN Substrate [10]
Multidrug resistance-associated protein 2 (ABCC2) DTFI42L MRP2_HUMAN Substrate [11]
P-glycoprotein 1 (ABCB1) DTUGYRD MDR1_HUMAN Substrate [12]
Breast cancer resistance protein (ABCG2) DTI7UX6 ABCG2_HUMAN Substrate [13]
Organic anion transporting polypeptide 1B1 (SLCO1B1) DT3D8F0 SO1B1_HUMAN Substrate [14]
Organic anion transporting polypeptide 1B3 (SLCO1B3) DT9C1TS SO1B3_HUMAN Substrate [15]
TAP-like protein (ABCB9) DT68UV2 ABCB9_HUMAN Substrate [16]
Multidrug resistance-associated protein 7 (ABCC10) DTPS120 MRP7_HUMAN Substrate [17]
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⏷ Show the Full List of 8 DTP(s)
Docetaxel Interacts with 3 DME Molecule(s)
DME Name DME ID UniProt ID Mode of Action REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Metabolism [18]
Cytochrome P450 3A5 (CYP3A5) DEIBDNY CP3A5_HUMAN Metabolism [19]
Cytochrome P450 3A7 (CYP3A7) DERD86B CP3A7_HUMAN Metabolism [19]
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Docetaxel Interacts with 83 DOT Molecule(s)
DOT Name DOT ID UniProt ID Mode of Action REF
Cytochrome P450 3A4 (CYP3A4) OTQGYY83 CP3A4_HUMAN Increases Response To Substance [20]
ATP-binding cassette sub-family C member 2 (ABCC2) OTJSIGV5 MRP2_HUMAN Increases ADR [21]
Multidrug resistance-associated protein 1 (ABCC1) OTGUN89S MRP1_HUMAN Increases Expression [22]
ATP-dependent translocase ABCB1 (ABCB1) OTEJROBO MDR1_HUMAN Increases Response To Substance [20]
Apoptosis regulator Bcl-2 (BCL2) OT9DVHC0 BCL2_HUMAN Decreases Expression [23]
Caspase-3 (CASP3) OTIJRBE7 CASP3_HUMAN Increases Activity [24]
Tumor necrosis factor (TNF) OT4IE164 TNFA_HUMAN Decreases Expression [25]
Interleukin-6 (IL6) OTUOSCCU IL6_HUMAN Increases Expression [25]
Progesterone receptor (PGR) OT0FZ3QE PRGR_HUMAN Decreases Expression [25]
Aromatase (CYP19A1) OTZ6XF74 CP19A_HUMAN Decreases Expression [25]
Prostaglandin G/H synthase 2 (PTGS2) OT75U9M4 PGH2_HUMAN Increases Expression [25]
Dihydropyrimidine dehydrogenase (DPYD) OTWRF2NR DPYD_HUMAN Decreases Activity [6]
Tumor necrosis factor receptor superfamily member 10A (TNFRSF10A) OTBPCU2O TR10A_HUMAN Increases Expression [26]
Tumor necrosis factor receptor superfamily member 10B (TNFRSF10B) OTA1CPBV TR10B_HUMAN Increases Expression [26]
Bcl-2-like protein 11 (BCL2L11) OTNQQWFJ B2L11_HUMAN Increases Degradation [27]
Nuclear receptor subfamily 1 group I member 2 (NR1I2) OTC5U0N5 NR1I2_HUMAN Increases Activity [28]
PC4 and SFRS1-interacting protein (PSIP1) OT4YAFUS PSIP1_HUMAN Increases Cleavage [29]
RAF proto-oncogene serine/threonine-protein kinase (RAF1) OT51LSFO RAF1_HUMAN Increases Expression [30]
Granulocyte-macrophage colony-stimulating factor (CSF2) OT1M7D28 CSF2_HUMAN Increases Secretion [31]
Cellular tumor antigen p53 (TP53) OTIE1VH3 P53_HUMAN Increases Expression [7]
Transcription factor Jun (JUN) OTCYBO6X JUN_HUMAN Increases Phosphorylation [32]
Protein kinase C beta type (PRKCB) OTYQ0656 KPCB_HUMAN Increases Phosphorylation [33]
Keratin, type I cytoskeletal 18 (KRT18) OTVLQFIP K1C18_HUMAN Increases Expression [34]
Cyclin-dependent kinase 1 (CDK1) OTW1SC2N CDK1_HUMAN Increases Activity [35]
Prostate-specific antigen (KLK3) OTFGSBFJ KLK3_HUMAN Decreases Expression [36]
Poly polymerase 1 (PARP1) OT310QSG PARP1_HUMAN Increases Cleavage [32]
Androgen receptor (AR) OTUBKAZZ ANDR_HUMAN Decreases Expression [37]
Histone H2AX (H2AX) OT18UX57 H2AX_HUMAN Increases Expression [38]
Natriuretic peptides B (NPPB) OTSN2IPY ANFB_HUMAN Increases Expression [39]
Cyclic AMP-dependent transcription factor ATF-3 (ATF3) OTC1UOHP ATF3_HUMAN Decreases Expression [40]
Growth arrest and DNA damage-inducible protein GADD45 alpha (GADD45A) OTDRV63V GA45A_HUMAN Decreases Expression [40]
Cyclin-dependent kinase 2 (CDK2) OTB5DYYZ CDK2_HUMAN Increases Activity [35]
Tumor necrosis factor receptor superfamily member 6 (FAS) OTP9XG86 TNR6_HUMAN Increases Expression [41]
Mitogen-activated protein kinase 3 (MAPK3) OTCYKGKO MK03_HUMAN Increases Phosphorylation [30]
Mitogen-activated protein kinase 1 (MAPK1) OTH85PI5 MK01_HUMAN Increases Phosphorylation [30]
RAC-alpha serine/threonine-protein kinase (AKT1) OT8H2YY7 AKT1_HUMAN Decreases Phosphorylation [8]
Cyclin-dependent kinase inhibitor 1 (CDKN1A) OTQWHCZE CDN1A_HUMAN Decreases Expression [40]
Signal transducer and activator of transcription 3 (STAT3) OTAAGKYZ STAT3_HUMAN Decreases Phosphorylation [42]
Caspase-2 (CASP2) OTUDYSPP CASP2_HUMAN Increases Activity [29]
Cyclin-dependent kinase inhibitor 2A (CDKN2A) OTN0ZWAE CDN2A_HUMAN Decreases Expression [43]
Proliferation marker protein Ki-67 (MKI67) OTA8N1QI KI67_HUMAN Decreases Expression [23]
Caspase-7 (CASP7) OTAPJ040 CASP7_HUMAN Increases Activity [44]
Caspase-9 (CASP9) OTD4RFFG CASP9_HUMAN Increases Activity [45]
E3 ubiquitin-protein ligase Mdm2 (MDM2) OTOVXARF MDM2_HUMAN Increases Expression [7]
Focal adhesion kinase 1 (PTK2) OT3Q1JDY FAK1_HUMAN Increases Cleavage [46]
Apoptosis regulator BAX (BAX) OTAW0V4V BAX_HUMAN Increases Expression [47]
Induced myeloid leukemia cell differentiation protein Mcl-1 (MCL1) OT2YYI1A MCL1_HUMAN Increases Expression [27]
Caspase-8 (CASP8) OTA8TVI8 CASP8_HUMAN Increases Activity [46]
Bcl-2 homologous antagonist/killer (BAK1) OTDP6ILW BAK_HUMAN Increases Activity [27]
Bcl2-associated agonist of cell death (BAD) OT63ERYM BAD_HUMAN Decreases Phosphorylation [27]
ELL-associated factor 2 (EAF2) OTSOET5L EAF2_HUMAN Decreases Expression [40]
Small integral membrane protein 14 (SMIM14) OT47IF19 SIM14_HUMAN Decreases Expression [40]
Protein FAM117A (FAM117A) OT2FBGGV F117A_HUMAN Decreases Expression [40]
Delta-like protein 4 (DLL4) OTRA4K2V DLL4_HUMAN Increases Expression [44]
Tumor necrosis factor receptor superfamily member 19 (TNFRSF19) OTTVT4MB TNR19_HUMAN Decreases Expression [40]
Tropomodulin-2 (TMOD2) OTTTUH2W TMOD2_HUMAN Decreases Expression [40]
Flavin-containing monooxygenase 3 (FMO3) OT1G2EV3 FMO3_HUMAN Affects Response To Substance [48]
Kinesin heavy chain isoform 5A (KIF5A) OT3ETTI6 KIF5A_HUMAN Decreases Response To Substance [49]
Proteinase-activated receptor 1 (F2R) OT4WVWBO PAR1_HUMAN Decreases Response To Substance [50]
ATP-binding cassette sub-family G member 1 (ABCG1) OT5BG6MK ABCG1_HUMAN Affects Response To Substance [48]
Regulator of G-protein signaling 17 (RGS17) OT5RVUDS RGS17_HUMAN Increases Response To Substance [51]
Mitotic checkpoint serine/threonine-protein kinase BUB1 beta (BUB1B) OT8KME51 BUB1B_HUMAN Affects Response To Substance [52]
Epidermal growth factor receptor (EGFR) OTAPLO1S EGFR_HUMAN Decreases Response To Substance [53]
Baculoviral IAP repeat-containing protein 5 (BIRC5) OTILXZYL BIRC5_HUMAN Decreases Response To Substance [54]
Superoxide dismutase , mitochondrial (SOD2) OTIWXGZ9 SODM_HUMAN Decreases Response To Substance [55]
Cytochrome P450 1A2 (CYP1A2) OTLLBX48 CP1A2_HUMAN Affects Response To Substance [48]
Glutathione S-transferase P (GSTP1) OTLP0A0Y GSTP1_HUMAN Increases Response To Substance [20]
Receptor tyrosine-protein kinase erbB-2 (ERBB2) OTOAUNCK ERBB2_HUMAN Increases Response To Substance [56]
Kinesin-like protein KIFC3 (KIFC3) OTOPD4QO KIFC3_HUMAN Decreases Response To Substance [49]
Regulator of G-protein signaling 10 (RGS10) OTQ8N1QH RGS10_HUMAN Increases Response To Substance [51]
E3 ubiquitin-protein ligase CHFR (CHFR) OTRAD2TT CHFR_HUMAN Decreases Response To Substance [57]
Bcl-2-like protein 1 (BCL2L1) OTRC5K9O B2CL1_HUMAN Decreases Response To Substance [58]
Cell surface glycoprotein MUC18 (MCAM) OTT8XKGE MUC18_HUMAN Decreases Response To Substance [59]
Kinesin-like protein KIF12 (KIF12) OTTALNDD KIF12_HUMAN Decreases Response To Substance [49]
Nucleophosmin (NPM1) OTTBYYT0 NPM_HUMAN Decreases Response To Substance [60]
Flavin-containing monooxygenase 2 (FMO2) OTUJUL9S FMO2_HUMAN Affects Response To Substance [48]
NADPH--cytochrome P450 reductase (POR) OTVIDOCH NCPR_HUMAN Increases Response To Substance [20]
Kinesin-like protein KIF14 (KIF14) OTXHT4JM KIF14_HUMAN Decreases Response To Substance [61]
Mitotic spindle assembly checkpoint protein MAD2A (MAD2L1) OTXNGZCG MD2L1_HUMAN Affects Response To Substance [52]
Cellular retinoic acid-binding protein 2 (CRABP2) OTY01V9G RABP2_HUMAN Affects Response To Substance [62]
Cytochrome P450 1B1 (CYP1B1) OTYXFLSD CP1B1_HUMAN Affects Response To Substance [63]
Cytochrome P450 2D6 (CYP2D6) OTZJC802 CP2D6_HUMAN Affects Response To Substance [48]
ATP-binding cassette sub-family C member 6 (ABCC6) OTZT0LKT MRP6_HUMAN Affects Response To Substance [48]
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⏷ Show the Full List of 83 DOT(s)
Indication(s) of Bosentan
Disease Entry ICD 11 Status REF
Pulmonary arterial hypertension BB01.0 Approved [4]
Pulmonary hypertension BB01 Approved [5]
Scleroderma 4A42 Investigative [5]
Bosentan Interacts with 2 DTT Molecule(s)
DTT Name DTT ID UniProt ID Mode of Action REF
Endothelin A receptor (EDNRA) TTKRD0G EDNRA_HUMAN Modulator [65]
Endothelin B receptor (EDNRB) TT3ZTGU EDNRB_HUMAN Modulator [65]
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Bosentan Interacts with 3 DTP Molecule(s)
DTP Name DTP ID UniProt ID Mode of Action REF
Organic anion transporting polypeptide 1B1 (SLCO1B1) DT3D8F0 SO1B1_HUMAN Substrate [66]
Organic anion transporting polypeptide 1B3 (SLCO1B3) DT9C1TS SO1B3_HUMAN Substrate [66]
Organic anion transporting polypeptide 2B1 (SLCO2B1) DTPFTEQ SO2B1_HUMAN Substrate [66]
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Bosentan Interacts with 2 DME Molecule(s)
DME Name DME ID UniProt ID Mode of Action REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Metabolism [67]
Cytochrome P450 2C9 (CYP2C9) DE5IED8 CP2C9_HUMAN Metabolism [68]
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Bosentan Interacts with 71 DOT Molecule(s)
DOT Name DOT ID UniProt ID Mode of Action REF
Cytochrome P450 3A4 (CYP3A4) OTQGYY83 CP3A4_HUMAN Increases Expression [69]
Solute carrier organic anion transporter family member 1B1 (SLCO1B1) OTNEN8QK SO1B1_HUMAN Decreases Expression [64]
Bile salt export pump (ABCB11) OTRU7THO ABCBB_HUMAN Decreases Expression [64]
Endothelin-1 (EDN1) OTZCACEG EDN1_HUMAN Decreases Activity [70]
Nitric oxide synthase 3 (NOS3) OTLDT7NR NOS3_HUMAN Increases ADR [71]
Cytochrome P450 2B6 (CYP2B6) OTOYO4S7 CP2B6_HUMAN Increases Expression [69]
Serine/threonine-protein kinase DCLK1 (DCLK1) OTVSPS98 DCLK1_HUMAN Affects Expression [64]
Kynurenine 3-monooxygenase (KMO) OT3MRMM9 KMO_HUMAN Affects Expression [64]
Carbonic anhydrase 12 (CA12) OT6WNFU8 CAH12_HUMAN Affects Expression [64]
All-trans-retinol dehydrogenase ADH1B (ADH1B) OTV3TB81 ADH1B_HUMAN Decreases Expression [64]
Alcohol dehydrogenase 1C (ADH1C) OTO1DV7F ADH1G_HUMAN Decreases Expression [64]
Superoxide dismutase (SOD1) OT39TA1L SODC_HUMAN Decreases Expression [64]
Complement component C9 (C9) OT7I5FDX CO9_HUMAN Affects Expression [64]
Catalase (CAT) OTHEBX9R CATA_HUMAN Decreases Expression [64]
Superoxide dismutase , mitochondrial (SOD2) OTIWXGZ9 SODM_HUMAN Increases Expression [64]
Insulin-like growth factor I (IGF1) OTIIZR61 IGF1_HUMAN Affects Expression [64]
Fructose-bisphosphate aldolase B (ALDOB) OT7FR69A ALDOB_HUMAN Decreases Expression [64]
Interleukin-6 (IL6) OTUOSCCU IL6_HUMAN Increases Expression [64]
Fatty acid-binding protein, liver (FABP1) OTR34ETM FABPL_HUMAN Decreases Expression [64]
Glutathione peroxidase 1 (GPX1) OTE2O72Q GPX1_HUMAN Decreases Expression [64]
Alcohol dehydrogenase 1A (ADH1A) OTTS983E ADH1A_HUMAN Decreases Expression [64]
Amino acid transporter heavy chain SLC3A2 (SLC3A2) OTBR33M9 4F2_HUMAN Increases Expression [64]
All-trans-retinol dehydrogenase ADH4 (ADH4) OTKDKKNG ADH4_HUMAN Decreases Expression [64]
Heme oxygenase 1 (HMOX1) OTC1W6UX HMOX1_HUMAN Increases Expression [64]
Glutathione S-transferase theta-2 (GSTT2) OTANW3TJ GST2_HUMAN Decreases Expression [64]
Interleukin-8 (CXCL8) OTS7T5VH IL8_HUMAN Increases Expression [64]
Microsomal glutathione S-transferase 1 (MGST1) OTGN1KVZ MGST1_HUMAN Decreases Expression [64]
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1 (HSD3B1) OTNAZVKB 3BHS1_HUMAN Affects Expression [64]
NAD(P)H dehydrogenase 1 (NQO1) OTZGGIVK NQO1_HUMAN Increases Expression [64]
NADPH--cytochrome P450 reductase (POR) OTVIDOCH NCPR_HUMAN Affects Expression [64]
Tyrosine aminotransferase (TAT) OT2CJ91O ATTY_HUMAN Affects Expression [64]
Phosphatidylcholine translocator ABCB4 (ABCB4) OTE6PY83 MDR3_HUMAN Decreases Expression [64]
Cytochrome P450 7A1 (CYP7A1) OT8Z5KLD CP7A1_HUMAN Decreases Expression [64]
Macrophage mannose receptor 1 (MRC1) OTTVCOPT MRC1_HUMAN Affects Expression [64]
Cytochrome P450 3A7 (CYP3A7) OTTCDHHM CP3A7_HUMAN Affects Expression [64]
Serum paraoxonase/arylesterase 1 (PON1) OTD0Z2XO PON1_HUMAN Decreases Expression [64]
G0/G1 switch protein 2 (G0S2) OT8FL49L G0S2_HUMAN Affects Expression [64]
Sodium- and chloride-dependent GABA transporter 1 (SLC6A1) OTLCJJF3 SC6A1_HUMAN Affects Expression [64]
Pyruvate kinase PKLR (PKLR) OTTTM1QI KPYR_HUMAN Affects Expression [64]
Carbamoyl-phosphate synthase , mitochondrial (CPS1) OTXV8NSR CPSM_HUMAN Decreases Expression [64]
Glucose-6-phosphatase catalytic subunit 1 (G6PC1) OTJ6FM9F G6PC1_HUMAN Affects Expression [64]
Peroxisome proliferator-activated receptor gamma (PPARG) OTHMARHO PPARG_HUMAN Decreases Expression [64]
Hepatocyte nuclear factor 4-alpha (HNF4A) OTY1TOAB HNF4A_HUMAN Decreases Expression [64]
Glutamate--cysteine ligase catalytic subunit (GCLC) OTESDI4D GSH1_HUMAN Increases Expression [64]
Sulfotransferase 1E1 (SULT1E1) OTGPJ517 ST1E1_HUMAN Affects Expression [64]
Achaete-scute homolog 1 (ASCL1) OTI4X44G ASCL1_HUMAN Affects Expression [64]
Oxysterols receptor LXR-beta (NR1H2) OT4APA60 NR1H2_HUMAN Decreases Expression [64]
Microsomal triglyceride transfer protein large subunit (MTTP) OTNUVSDT MTP_HUMAN Decreases Expression [64]
Inhibin beta E chain (INHBE) OTOI2NYG INHBE_HUMAN Affects Expression [64]
Metallothionein-1X (MT1X) OT9AKFVS MT1X_HUMAN Increases Expression [64]
Complement factor H-related protein 3 (CFHR3) OTYL8SDO FHR3_HUMAN Affects Expression [64]
Oxysterols receptor LXR-alpha (NR1H3) OT54YZ9I NR1H3_HUMAN Decreases Expression [64]
Nuclear factor 1 X-type (NFIX) OT1DPZAE NFIX_HUMAN Decreases Expression [64]
Phosphoenolpyruvate carboxykinase , mitochondrial (PCK2) OTJ8LX4N PCKGM_HUMAN Decreases Expression [64]
Organic solute transporter subunit alpha (SLC51A) OTDJRZ0P OSTA_HUMAN Increases Expression [64]
Organic solute transporter subunit beta (SLC51B) OT4WYPSR OSTB_HUMAN Increases Expression [64]
Liver-expressed antimicrobial peptide 2 (LEAP2) OTUOPIS5 LEAP2_HUMAN Affects Expression [64]
N-acetylmuramoyl-L-alanine amidase (PGLYRP2) OTF8319A PGRP2_HUMAN Affects Expression [64]
Bile acid receptor (NR1H4) OTWZLPTB NR1H4_HUMAN Decreases Expression [64]
Normal mucosa of esophagus-specific gene 1 protein (C15ORF48) OT85J32K NMES1_HUMAN Affects Expression [64]
ATP-binding cassette sub-family G member 5 (ABCG5) OT1OMY93 ABCG5_HUMAN Affects Expression [64]
2-aminomuconic semialdehyde dehydrogenase (ALDH8A1) OTINY3MW AL8A1_HUMAN Affects Expression [64]
Cytochrome P450 3A43 (CYP3A43) OTMXADGA CP343_HUMAN Affects Expression [64]
NADPH oxidase 4 (NOX4) OTTYQ097 NOX4_HUMAN Decreases Expression [64]
Peroxisome proliferator-activated receptor gamma coactivator 1-alpha (PPARGC1A) OTHCDQ22 PRGC1_HUMAN Decreases Expression [64]
Solute carrier family 22 member 7 (SLC22A7) OTKTNH1W S22A7_HUMAN Affects Expression [64]
ATP-binding cassette sub-family C member 3 (ABCC3) OTC3IJV4 MRP3_HUMAN Decreases Expression [72]
ATP-dependent translocase ABCB1 (ABCB1) OTEJROBO MDR1_HUMAN Decreases Expression [72]
Coxsackievirus and adenovirus receptor (CXADR) OT9ZP02A CXAR_HUMAN Decreases Expression [73]
Hepatic sodium/bile acid cotransporter (SLC10A1) OTUJVMCL NTCP_HUMAN Decreases Expression [72]
ATP-binding cassette sub-family C member 2 (ABCC2) OTJSIGV5 MRP2_HUMAN Decreases Expression [72]
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⏷ Show the Full List of 71 DOT(s)

References

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2 Docetaxel FDA Label
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5 Bosentan FDA Label
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