doxorubicin [Ligand Id: 7069] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL53463 (Adriablastin, Adriamycin, Doxil, Doxorubicin, Doxorubicina, Doxorubicine, Epirubicin hydrochloride impurity, doxorubicin-, Hydroxydaunorubicin, NSC-123127, NSC-759155, Rubex, Valrubicin impurity, doxorubicin) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Anti-estrogen binding site (AEBS) in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL612409] [UniProtKB: Q15125, Q9UBM7] | ||||||||
| ChEMBL | Growth inhibition of multidrug resistant MCF7/Adr cells containing antiestrogen binding sites | F | 5 | pIC50 | 10000 | nM | IC50 | J Med Chem (2004) 47: 6509-6518 [PMID:15588086] |
| ChEMBL | Growth inhibition of MDA-MB-231 cells containing antiestrogen binding sites | F | 6.52 | pIC50 | 300 | nM | IC50 | J Med Chem (2004) 47: 6509-6518 [PMID:15588086] |
| ChEMBL | Growth inhibition of MCF7 cells expressing ER and antiestrogen binding sites | F | 6.7 | pIC50 | 200 | nM | IC50 | J Med Chem (2004) 47: 6509-6518 [PMID:15588086] |
| ChEMBL | Growth inhibition of MDA-MB-435 cells containing antiestrogen binding sites | F | 6.82 | pIC50 | 150 | nM | IC50 | J Med Chem (2004) 47: 6509-6518 [PMID:15588086] |
| Arachidonate 15-lipoxygenase in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4358] [UniProtKB: P12530] | ||||||||
| ChEMBL | DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid) | B | 4.87 | pIC50 | 13590 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| carnitine palmitoyltransferase 2/Carnitine palmitoyltransferase 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4037] [GtoPdb: 3252] [UniProtKB: P18886] | ||||||||
| ChEMBL | Inhibition of rat CPT2 in rat mitochondria | B | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (2011) 54: 3109-3152 [PMID:21504156] |
| Caspase 1/Caspase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4801] [GtoPdb: 1617] [UniProtKB: P29466] | ||||||||
| ChEMBL | DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC) | B | 4.91 | pIC50 | 12192 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| CDGSH iron-sulfur domain-containing protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795168] [UniProtKB: Q9NZ45] | ||||||||
| ChEMBL | Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichia coli BL21 by Cheng-Prusoff analysis | B | 5.46 | pKi | 3451 | nM | Ki | Bioorg Med Chem Lett (2016) 26: 5350-5353 [PMID:27687671] |
| ChEMBL | Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichia coli BL21 by scintillation proximity assay | B | 4.09 | pIC50 | 80760 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 5350-5353 [PMID:27687671] |
| DNA (cytosine-5-)-methyltransferase 3α/DNA (cytosine-5)-methyltransferase 3A in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3108652] [GtoPdb: 2750] [UniProtKB: O88508] | ||||||||
| ChEMBL | Inhibition of murine DNMT3A catalytic domain-mediated DNA methylation using 5'-6FAM-tagged 30-mer duplex DNA (17 AT bp) as substrate preincubated for 30 mins followed by enzyme addition | B | 5.52 | pIC50 | 3000 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 127296-127296 [PMID:32631516] |
| DNA topoisomerase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1781] [GtoPdb: 2636] [UniProtKB: P11387] | ||||||||
| ChEMBL | Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis | B | 4.7 | pIC50 | 20000 | nM | IC50 | J Med Chem (2010) 53: 6164-6179 [PMID:20662543] |
| ChEMBL | Inhibition of human topoisomerase 1 | B | 5.49 | pIC50 | 3200 | nM | IC50 | Eur J Med Chem (2021) 220: 113555-113555 [PMID:34052677] |
| DNA topoisomerase II alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1806] [GtoPdb: 2637] [UniProtKB: P11388] | ||||||||
| ChEMBL | Inhibition of human topoisomerase 2alpha-mediated kinetoplast DNA decatenation after 60 mins by ethidium bromide staining based agarose gel electrophoresis | B | 5.52 | pIC50 | 3000 | nM | IC50 | Bioorg Med Chem (2017) 25: 2625-2634 [PMID:28342691] |
| ChEMBL | Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresis | B | 5.52 | pIC50 | 3000 | nM | IC50 | Eur J Med Chem (2016) 123: 704-717 [PMID:27521587] |
| GtoPdb | In vitro inhibition of DNA relaxation and decatenation activities in a topoisomerase extract from human placenta. | - | 6 | pIC50 | 1000 | nM | IC50 | J Nat Prod (2001) 64: 204-7 [PMID:11430001] |
| ChEMBL | Inhibition human placenta topoisomerase 2 assessed as conversion of supercoiled pBR322 DNA to relaxed form | B | 6 | pIC50 | 1000 | nM | IC50 | J Nat Prod (2001) 64: 204-207 [PMID:11430001] |
| ChEMBL | Inhibition human placenta topoisomerase 2 assessed as conversion of catenated kinetoplast DNA to minicircle monomer | B | 6 | pIC50 | 1000 | nM | IC50 | J Nat Prod (2001) 64: 204-207 [PMID:11430001] |
| ChEMBL | Inhibition of human topoisomerase-2 alpha in human A498 cells assessed as decrease in relaxation of supercoiled DNA at 10 uM | B | 6 | pIC50 | 990 | nM | IC50 | Bioorg Med Chem Lett (2021) 40: 127916-127916 [PMID:33689875] |
| ChEMBL | Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresis | B | 6.06 | pIC50 | 880 | nM | IC50 | Eur J Med Chem (2018) 155: 117-134 [PMID:29885574] |
| ChEMBL | Inhibition of Topo IIalpha (unknown origin) | B | 8.31 | pIC50 | 4.9 | nM | IC50 | Bioorg Med Chem (2023) 95: 117486-117486 [PMID:37847948] |
| DNA topoisomerase II beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3396] [UniProtKB: Q02880] | ||||||||
| ChEMBL | Inhibition of human topoisomerase-2B after 2 hrs by ELISA | B | 5.46 | pIC50 | 3500 | nM | IC50 | Eur J Med Chem (2018) 150: 403-418 [PMID:29547830] |
| ChEMBL | Inhibition of human topoisomerase 2beta after 2 hrs at 37 degC by ELISA | B | 5.46 | pIC50 | 3500 | nM | IC50 | Eur J Med Chem (2018) 143: 1807-1825 [PMID:29133058] |
| ChEMBL | Inhibition of Topoisomerase II beta (unknown origin) relative to control | B | 6.14 | pIC50 | 727 | nM | IC50 | Bioorg Med Chem (2020) 28: 115674-115674 [PMID:33065442] |
| Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1] | ||||||||
| ChEMBL | Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transfer | B | 5.62 | pIC50 | 2400 | nM | IC50 | J Med Chem (2000) 43: 2100-2114 [PMID:10841789] |
| ChEMBL | Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing | B | 6.05 | pIC50 | 900 | nM | IC50 | J Med Chem (2000) 43: 2100-2114 [PMID:10841789] |
| Human immunodeficiency virus type 1 reverse transcriptase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL247] [UniProtKB: Q72547] | ||||||||
| ChEMBL | Inhibition of HIV-1 reverse transcriptase using Poly(rA).p(dT) (12 to 18) as substrate after 30 mins by single point PCR assay | B | 4.28 | pIC50 | 52000 | nM | IC50 | Bioorg Med Chem Lett (2012) 22: 4844-4848 [PMID:22695131] |
| MMP2/Matrix metalloproteinase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL333] [GtoPdb: 1629] [UniProtKB: P08253] | ||||||||
| ChEMBL | Inhibitory concentration against Clostridium histolyticum Collagenase | B | 5.96 | pIC50 | 1100 | nM | IC50 | J Med Chem (1992) 35: 2768-2771 [PMID:1322986] |
| ABCC1/Multidrug resistance-associated protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3004] [GtoPdb: 779] [UniProtKB: P33527] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 0.05 uM) in membrane vesicle from MRP1-expressing HeLa cells | F | 4.3 | pIC50 | 50000 | nM | IC50 | J Biol Chem (1996) 271: 9683-9689 [PMID:8621644] |
| M1 receptor/Muscarinic acetylcholine receptor M1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL216] [GtoPdb: 13] [UniProtKB: P11229] | ||||||||
| ChEMBL | DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine) | B | 5.43 | pKi | 3693 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine) | B | 4.81 | pIC50 | 15336 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of Taxol transepithelial transport (basal to apical) in Caco-2 cells | F | 5.07 | pKi | 8500 | nM | Ki | Pharm Res (2001) 18: 171-176 [PMID:11405287] |
| ChEMBL | Inhibition of P-gp-mediated multidrug resistance in doxorubicin-resistant human MCF7/ADR cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxorubicin IC50 incubated for 48 hrs by CCK-8 assay | B | 4.31 | pIC50 | 49278 | nM | IC50 | J Med Chem (2023) 66: 5550-5566 [PMID:37011035] |
| ChEMBL | Inhibition of P-gp mediated doxorubicin resistance in human SW620/AD300 cells overexpressing P-gp measured after 48 hrs by MTT assay | B | 5.24 | pIC50 | 5750 | nM | IC50 | J Nat Prod (2022) 85: 337-344 [PMID:35073486] |
| ChEMBL | Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at 2.5 uM after 48 hrs by MTT assay | B | 5.31 | pIC50 | 4900 | nM | IC50 | J Med Chem (2022) 65: 2610-2622 [PMID:35067062] |
| ChEMBL | Inhibition of ABCB1 in human HEK293 cells | B | 6.3 | pIC50 | 504 | nM | IC50 | Eur J Med Chem (2022) 239: 114542-114542 [PMID:35751979] |
| Plasmodium berghei (target type: ORGANISM) [ChEMBL: CHEMBL612653] | ||||||||
| ChEMBL | HARVARD: Inhibition of liver stage Plasmodium berghei infection in HepG2 cells | F | 6.05 | pIC50 | 886 | nM | IC50 | Proc Natl Acad Sci U S A (2012) 109: 8511-8516 [PMID:22586124] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | HARVARD: Inhibition of blood stage Plasmodium falciparum Dd2 infection | F | 7.24 | pIC50 | 58 | nM | IC50 | Proc Natl Acad Sci U S A (2012) 109: 8511-8516 [PMID:22586124] |
| P2Y12 receptor/Purinergic receptor P2Y12 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2001] [GtoPdb: 328] [UniProtKB: Q9H244] | ||||||||
| ChEMBL | Displacement of [3H]PSB0413 from human platelet P2Y12 receptor | B | 5 | pKi | >10000 | nM | Ki | J Med Chem (2009) 52: 3784-3793 [PMID:19463000] |
| erb-b2 receptor tyrosine kinase 2/Receptor protein-tyrosine kinase erbB-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1824] [GtoPdb: 2019] [UniProtKB: P04626] | ||||||||
| ChEMBL | DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr)) | B | 5.6 | pIC50 | 2485 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| Ribonuclease pancreatic in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6091] [UniProtKB: P61823] | ||||||||
| ChEMBL | Inhibition of bovine pancreas RNase A assessed as undigested supercoiled pBR322 DNA concentration | B | 4.6 | pIC50 | 25000 | nM | IC50 | J Nat Prod (2001) 64: 204-207 [PMID:11430001] |
| aurora kinase A/Serine/threonine-protein kinase Aurora-A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4722] [GtoPdb: 1936] [UniProtKB: O14965] | ||||||||
| ChEMBL | Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins by scintillation counting | B | 7.4 | pIC50 | 40 | nM | IC50 | Eur J Med Chem (2011) 46: 3690-3695 [PMID:21664013] |
| 5-HT1B receptor/Serotonin 1b (5-HT1b) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3459] [GtoPdb: 2] [UniProtKB: P28564] | ||||||||
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) | B | 4.81 | pKi | 15666 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) | B | 4.46 | pIC50 | 34464 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| Serotonin 4 (5-HT4) receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5017] [UniProtKB: O70528] | ||||||||
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808) | B | 5.68 | pKi | 2078 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808) | B | 4.9 | pIC50 | 12468 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| SOS Ras/Rac guanine nucleotide exchange factor 1/Son of sevenless homolog 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2079846] [GtoPdb: 3096] [UniProtKB: Q07889] | ||||||||
| ChEMBL | Inhibition of SOS1 CD (564 to 1049 residues) (unknown origin) mediated nucleotide exchange in presence of BODIPY-FL-GDP by fluorescence based analysis | B | 4.34 | pIC50 | 46000 | nM | IC50 | J Med Chem (2023) 66: 4324-4341 [PMID:36987571] |
| Telomerase reverse transcriptase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2916] [UniProtKB: O14746] | ||||||||
| ChEMBL | Inhibition of telomerase from human COLO201 cell | B | 4.14 | pIC50 | 73000 | nM | IC50 | J Nat Prod (2001) 64: 204-207 [PMID:11430001] |
| Type-2 restriction enzyme HindIII in Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5004] [UniProtKB: P43870] | ||||||||
| ChEMBL | Inhibition of Haemophilus influenzae Hind 3 assessed as undigested supercoiled pBR322 DNA concentration | B | 4.02 | pIC50 | 96000 | nM | IC50 | J Nat Prod (2001) 64: 204-207 [PMID:11430001] |
| Type-2 restriction enzyme ScaI in Streptomyces caespitosus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5782] [UniProtKB: O52691] | ||||||||
| ChEMBL | Inhibition of Streptomyces caespitosus Sca 1 assessed as undigested supercoiled pBR322 DNA concentration | B | 4.6 | pIC50 | 25000 | nM | IC50 | J Nat Prod (2001) 64: 204-207 [PMID:11430001] |
| FYN proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase FYN in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1841] [GtoPdb: 2026] [UniProtKB: P06241] | ||||||||
| ChEMBL | DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr)) | B | 5.29 | pIC50 | 5147 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| LCK proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase LCK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL258] [GtoPdb: 2053] [UniProtKB: P06239] | ||||||||
| ChEMBL | DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr)) | B | 4.5 | pIC50 | 31913 | nM | IC50 | DrugMatrix in vitro pharmacology data |
ChEMBL data shown on this page come from version 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
