doxorubicin [Ligand Id: 7069] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL53463 (Doxorubicin, Rubex, Hydroxydaunorubicin, Adriblastina, Adriamycin, Epirubicin hydrochloride impurity, doxorubicin-, Doxil, Valrubicin impurity, doxorubicin, NSC-123127)
  • Anti-estrogen binding site (AEBS) in Human [ChEMBL: CHEMBL612409] [UniProtKB: Q15125Q9UBM7]
  • This target only has 0 pki data point
  • 0
1 CHEMBL53463_lig_chart_1 Anti-estrogen binding site (AEBS) Human
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  • Arachidonate 15-lipoxygenase in Rabbit [ChEMBL: CHEMBL4358] [UniProtKB: P12530]
  • This target only has 0 pki data point
  • 0
2 CHEMBL53463_lig_chart_2 Arachidonate 15-lipoxygenase Rabbit
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  • Carnitine palmitoyltransferase 2 in Rat [ChEMBL: CHEMBL4037] [UniProtKB: P18886]
  • This target only has 0 pki data point
  • 0
3 CHEMBL53463_lig_chart_3 Carnitine palmitoyltransferase 2 Rat
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  • Caspase 1/Caspase-1 in Human [ChEMBL: CHEMBL4801] [GtoPdb: 1617] [UniProtKB: P29466]
  • This target only has 0 pki data point
  • 0
4 CHEMBL53463_lig_chart_4 Caspase-1 Human
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  • CDGSH iron-sulfur domain-containing protein 1 in Human [ChEMBL: CHEMBL1795168] [UniProtKB: Q9NZ45]
  • This target only has 1 pki data point
  • 5.46
5 CHEMBL53463_lig_chart_5 CDGSH iron-sulfur domain-containing protein 1 Human
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  • DNA topoisomerase I in Human [ChEMBL: CHEMBL1781] [GtoPdb: 2636] [UniProtKB: P11387]
  • This target only has 0 pki data point
  • 0
6 CHEMBL53463_lig_chart_6 DNA topoisomerase I Human
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  • DNA topoisomerase II alpha in Human [ChEMBL: CHEMBL1806] [GtoPdb: 2637] [UniProtKB: P11388]
  • This target only has 0 pki data point
  • 0
7 CHEMBL53463_lig_chart_7 DNA topoisomerase II alpha Human
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  • DNA topoisomerase II beta in Human [ChEMBL: CHEMBL3396] [UniProtKB: Q02880]
  • This target only has 0 pki data point
  • 0
8 CHEMBL53463_lig_chart_8 DNA topoisomerase II beta Human
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  • Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1]
  • This target only has 0 pki data point
  • 0
9 CHEMBL53463_lig_chart_9 Human immunodeficiency virus type 1 integrase Human immunodeficiency virus 1
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  • MMP2/Matrix metalloproteinase-2 in Human [ChEMBL: CHEMBL333] [GtoPdb: 1629] [UniProtKB: P08253]
  • This target only has 0 pki data point
  • 0
10 CHEMBL53463_lig_chart_10 Matrix metalloproteinase-2 Human
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  • ABCC1/Multidrug resistance-associated protein 1 in Human [ChEMBL: CHEMBL3004] [GtoPdb: 779] [UniProtKB: P33527]
  • This target only has 0 pki data point
  • 0
11 CHEMBL53463_lig_chart_11 Multidrug resistance-associated protein 1 Human
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  • M1 receptor/Muscarinic acetylcholine receptor M1 in Human [ChEMBL: CHEMBL216] [GtoPdb: 13] [UniProtKB: P11229]
  • This target only has 1 pki data point
  • 5.43
12 CHEMBL53463_lig_chart_12 Muscarinic acetylcholine receptor M1 Human
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  • ABCB1/P-glycoprotein 1 in Human [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183]
  • This target only has 1 pki data point
  • 5.07
13 CHEMBL53463_lig_chart_13 P-glycoprotein 1 Human
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  • Plasmodium berghei [ChEMBL: CHEMBL612653]
  • This target only has 0 pki data point
  • 0
14 CHEMBL53463_lig_chart_14 Plasmodium berghei Plasmodium berghei
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  • Plasmodium falciparum [ChEMBL: CHEMBL364]
  • This target only has 0 pki data point
  • 0
15 CHEMBL53463_lig_chart_15 Plasmodium falciparum Plasmodium falciparum
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  • P2Y12 receptor/Purinergic receptor P2Y12 in Human [ChEMBL: CHEMBL2001] [GtoPdb: 328] [UniProtKB: Q9H244]
  • This target only has 1 pki data point
  • 5
16 CHEMBL53463_lig_chart_16 Purinergic receptor P2Y12 Human
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  • erb-b2 receptor tyrosine kinase 2/Receptor protein-tyrosine kinase erbB-2 in Human [ChEMBL: CHEMBL1824] [GtoPdb: 2019] [UniProtKB: P04626]
  • This target only has 0 pki data point
  • 0
17 CHEMBL53463_lig_chart_17 Receptor protein-tyrosine kinase erbB-2 Human
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  • Reverse transcriptase in Human immunodeficiency virus 1 [ChEMBL: CHEMBL2366516] [UniProtKB: Q9WKE8]
  • This target only has 0 pki data point
  • 0
18 CHEMBL53463_lig_chart_18 Reverse transcriptase Human immunodeficiency virus 1
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  • Ribonuclease pancreatic in Bovine [ChEMBL: CHEMBL6091] [UniProtKB: P61823]
  • This target only has 0 pki data point
  • 0
19 CHEMBL53463_lig_chart_19 Ribonuclease pancreatic Bovine
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  • aurora kinase A/Serine/threonine-protein kinase Aurora-A in Human [ChEMBL: CHEMBL4722] [GtoPdb: 1936] [UniProtKB: O14965]
  • This target only has 0 pki data point
  • 0
20 CHEMBL53463_lig_chart_20 Serine/threonine-protein kinase Aurora-A Human
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  • 5-HT1B receptor/Serotonin 1b (5-HT1b) receptor in Rat [ChEMBL: CHEMBL3459] [GtoPdb: 2] [UniProtKB: P28564]
  • This target only has 1 pki data point
  • 4.81
21 CHEMBL53463_lig_chart_21 Serotonin 1b (5-HT1b) receptor Rat
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  • Serotonin 4 (5-HT4) receptor in Guinea pig [ChEMBL: CHEMBL5017] [UniProtKB: O70528]
  • This target only has 1 pki data point
  • 5.68
22 CHEMBL53463_lig_chart_22 Serotonin 4 (5-HT4) receptor Guinea pig
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  • Telomerase reverse transcriptase in Human [ChEMBL: CHEMBL2916] [UniProtKB: O14746]
  • This target only has 0 pki data point
  • 0
23 CHEMBL53463_lig_chart_23 Telomerase reverse transcriptase Human
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  • Type-2 restriction enzyme HindIII in Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) [ChEMBL: CHEMBL5004] [UniProtKB: P43870]
  • This target only has 0 pki data point
  • 0
24 CHEMBL53463_lig_chart_24 Type-2 restriction enzyme HindIII Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
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  • Type-2 restriction enzyme ScaI in Streptomyces caespitosus [ChEMBL: CHEMBL5782] [UniProtKB: O52691]
  • This target only has 0 pki data point
  • 0
25 CHEMBL53463_lig_chart_25 Type-2 restriction enzyme ScaI Streptomyces caespitosus
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  • FYN proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase FYN in Human [ChEMBL: CHEMBL1841] [GtoPdb: 2026] [UniProtKB: P06241]
  • This target only has 0 pki data point
  • 0
26 CHEMBL53463_lig_chart_26 Tyrosine-protein kinase FYN Human
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  • LCK proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase LCK in Human [ChEMBL: CHEMBL258] [GtoPdb: 2053] [UniProtKB: P06239]
  • This target only has 0 pki data point
  • 0
27 CHEMBL53463_lig_chart_27 Tyrosine-protein kinase LCK Human
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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: Q15125Q9UBM7]
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 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4037] [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 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 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]
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]
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]
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
Reverse transcriptase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366516] [UniProtKB: Q9WKE8]
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]
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 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]