doxorubicin [Ligand Id: 7069] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL53463 (Adriablastin, Adriamycin, Adriblastina, Doxil, Doxorubicin, 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 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] |
| DNA topoisomerase II alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1806] [GtoPdb: 2637] [UniProtKB: P11388] | ||||||||
| 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] |
| 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] |
| 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] |
| 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-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] |
| 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 |
| 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 32:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
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