sirolimus [Ligand Id: 6031] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL413 (AY-22989, Sirolimus, L04AA10, SM-88 COMPONENT SIROLIMUS, Rapamycin, NSC-226080, WY-090217, Rapamune)
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  • Eukaryotic translation initation factor in Human [ChEMBL: CHEMBL4848] [UniProtKB: P06730]
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  • FKBP prolyl isomerase 1A/FK506-binding protein 1A in Human [ChEMBL: CHEMBL1902] [GtoPdb: 2609] [UniProtKB: P62942]
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  • FKBP prolyl isomerase 1A in Human [GtoPdb: 2609] [UniProtKB: P62942]
  • FKBP prolyl isomerase 1A/Peptidyl-prolyl cis-trans isomerase FKBP1A in Mouse [ChEMBL: CHEMBL4295736] [GtoPdb: 2609] [UniProtKB: P26883]
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  • FKBP prolyl isomerase 5/Peptidyl-prolyl cis-trans isomerase FKBP5 in Human [ChEMBL: CHEMBL2052031] [GtoPdb: 3175] [UniProtKB: Q13451]
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  • Sarcoplasmic/endoplasmic reticulum calcium ATP-ase in Rabbit [ChEMBL: CHEMBL4693] [UniProtKB: P04191]
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  • mechanistic target of rapamycin kinase/Serine/threonine-protein kinase mTOR in Human [ChEMBL: CHEMBL2842] [GtoPdb: 2109] [UniProtKB: P42345]
  • mechanistic target of rapamycin kinase/Serine/threonine-protein kinase mTOR in Mouse [ChEMBL: CHEMBL1255165] [GtoPdb: 2109] [UniProtKB: Q9JLN9]
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  • OATP1B1/Solute carrier organic anion transporter family member 1B1 in Human [ChEMBL: CHEMBL1697668] [GtoPdb: 1220] [UniProtKB: Q9Y6L6]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
CYP2C19/Cytochrome P450 2C19 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3622] [GtoPdb: 1328] [UniProtKB: P33261]
ChEMBL DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) B 5.4 pIC50 4000 nM IC50 DrugMatrix in vitro pharmacology data
CYP2C9/Cytochrome P450 2C9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3397] [GtoPdb: 1326] [UniProtKB: P11712]
ChEMBL DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) B 5.7 pIC50 2000 nM IC50 DrugMatrix in vitro pharmacology data
CYP3A4/Cytochrome P450 3A4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684]
ChEMBL DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin) B 5.7 pIC50 2000 nM IC50 DrugMatrix in vitro pharmacology data
Eukaryotic translation initation factor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4848] [UniProtKB: P06730]
ChEMBL Binding affinity to purified elF4E B 9.3 pKd 0.5 nM Kd Bioorg. Med. Chem. (2010) 18: 7746-7752 [PMID:20427189]
FKBP prolyl isomerase 1A/FK506-binding protein 1A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1902] [GtoPdb: 2609] [UniProtKB: P62942]
ChEMBL Inhibition of recombinant human FKBP12 expressed in Escherichia coli using succinyl-Ala-Phe-Pro-Phe-4-nitroanilide as substrate measured after 5 to 10 mins by spectrophotometric method B 9.22 pKi 0.6 nM Ki MedChemComm (2018) 9: 27-43
ChEMBL Compound was tested for its ability to inhibit FK506 binding protein 12 rotamase activity B 9.7 pKi 0.2 nM Ki J. Med. Chem. (1998) 41: 5119-5143 [PMID:9857082]
GtoPdb Measuring ability to inhibit the proteins rotamase activity - 9.7 pKi 0.2 nM Ki J Med Chem (1998) 41: 5119-43 [PMID:9857082]
ChEMBL The compound was tested for binding affinity to FK506 binding protein 12 with an ascomycin conjugate of alkaline phosphatase in a competition binding assay B 8.8 pIC50 1.6 nM IC50 Bioorg. Med. Chem. Lett. (2000) 10: 1405-1408 [PMID:10888319]
ChEMBL Inhibition of [3H]-FK506 binding to recombinant human His6-tagged FKBP12 pretreated for 10 mins followed by [3H]-FK506 addition and measured after 1.5 hrs by microbeta scintillation counting method B 8.8 pIC50 1.6 nM IC50 MedChemComm (2018) 9: 27-43
ChEMBL Inhibitory binding activity against human Immunophilin-FK-506 binding protein 12 B 8.96 pIC50 1.1 nM IC50 J. Med. Chem. (1998) 41: 1764-1776 [PMID:9599228]
ChEMBL Compound was tested in vitro for its ability to compete with immobilized FK506 for binding to biotinylated FK506 binding protein 12 in a competitive binding assay B 9.22 pIC50 0.6 nM IC50 Bioorg. Med. Chem. Lett. (1999) 9: 459-462 [PMID:10091702]
ChEMBL Inhibitory concentration against binding to FKBP12 B 9.35 pIC50 0.45 nM IC50 J. Med. Chem. (2005) 48: 5613-5638 [PMID:16134928]
FK506-binding protein 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2430] [UniProtKB: P68106]
ChEMBL Binding affinity to FKBP12 (unknown origin) by NMR analysis B 9.7 pKd 0.2 nM Kd J. Med. Chem. (2014) 57: 7819-7837 [PMID:24913411]
FKBP prolyl isomerase 1A in Human [GtoPdb: 2609] [UniProtKB: P62942]
GtoPdb Measuring ability to inhibit the proteins rotamase activity - 9.7 pKi 0.2 nM Ki J Med Chem (1998) 41: 5119-43 [PMID:9857082]
FKBP prolyl isomerase 1A/Peptidyl-prolyl cis-trans isomerase FKBP1A in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4295736] [GtoPdb: 2609] [UniProtKB: P26883]
ChEMBL Inhibition of FKBP12 in mouse T cells assessed as reduction in cell proliferation B 9 pIC50 1 nM IC50 MedChemComm (2018) 9: 27-43
FKBP prolyl isomerase 5/Peptidyl-prolyl cis-trans isomerase FKBP5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2052031] [GtoPdb: 3175] [UniProtKB: Q13451]
ChEMBL Binding affinity to human FKBP51 by competitive fluorescence polarization assay B 8.52 pKi 3 nM Ki J. Med. Chem. (2013) 56: 3922-3935 [PMID:23647266]
ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183]
ChEMBL TP_TRANSPORTER: inhibition of Rhodamine 123 transport (basal to apical) (R123: 15 uM) in HCT-8 cells F 5.9 pIC50 1250 nM IC50 J. Pharmacol. Exp. Ther. (2002) 303: 308-313 [PMID:12235265]
Programmed cell death protein 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1781868] [UniProtKB: Q53EL6]
ChEMBL Inhibition of TPA-induced degradation of Pdcd4 (amino acid 39-91) expressed in human HEK293 cells assessed as minimum compound concentration required for 50% recovery of Pdcd4-luciferase signal incubated for 8 hrs by luciferase reporter gene assay B 7.3 pEC50 50 nM EC50 J. Nat. Prod. (2011) 74: 1015-1020 [PMID:21539301]
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4693] [UniProtKB: P04191]
ChEMBL Inhibition of rabbit SERCA1a preincubated for 10 mins followed by addition of ATP and measured after 10 mins by colorimetric method B 4.11 pIC50 77000 nM IC50 J Med Chem (2020) 63: 1937-1963 [PMID:32030976]
mechanistic target of rapamycin kinase/Serine/threonine-protein kinase mTOR in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2842] [GtoPdb: 2109] [UniProtKB: P42345]
ChEMBL Binding affinity to mTOR FKBP12 site (unknown origin) B 9.22 pKd 0.6 nM Kd J Med Chem (2018) 61: 10084-10105 [PMID:30359003]
ChEMBL Inhibition of mTOR-mediated Akt phosphorylation in human PC3 cells B 5 pIC50 >10000 nM IC50 Bioorg. Med. Chem. Lett. (2011) 21: 6793-6799 [PMID:21978683]
ChEMBL Inhibition of mTOR (unknown origin) incubated for 1 hr by ELISA B 6.37 pIC50 430 nM IC50 Eur J Med Chem (2018) 156: 304-315 [PMID:30015070]
ChEMBL Inhibition of mTOR-mediated S6 phosphorylation in human PC3 cells B 8 pIC50 <10 nM IC50 Bioorg. Med. Chem. Lett. (2011) 21: 6793-6799 [PMID:21978683]
ChEMBL The inhibitory activity by using FK506 binding protein 12 SPA binding assay B 8.46 pIC50 3.47 nM IC50 Bioorg. Med. Chem. Lett. (2000) 10: 1007-1010 [PMID:10843203]
ChEMBL Inhibitory activity against FKBP12 B 8.8 pIC50 1.6 nM IC50 Bioorg. Med. Chem. Lett. (2005) 15: 5340-5343 [PMID:16185865]
ChEMBL Inhibitory concentration against FKBP12 receptor B 9.35 pIC50 0.45 nM IC50 J. Med. Chem. (2005) 48: 5613-5638 [PMID:16134928]
ChEMBL Inhibition of mTOR kinase expressed in human HEK293 cells by Western blot analysis B 10 pIC50 0.1 nM IC50 J. Biol. Chem. (2007) 282: 13395-13401 [PMID:17350953]
mechanistic target of rapamycin kinase/Serine/threonine-protein kinase mTOR in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1255165] [GtoPdb: 2109] [UniProtKB: Q9JLN9]
ChEMBL Inhibition of mTOR in mouse TSC1-/- MEF cells assessed as inhibition of S6 Ser240/244 phosphorylation incubated for 2 hrs by fluorescence based assay B 10.3 pIC50 0.05 nM IC50 ACS Med Chem Lett (2019) 10: 843-845 [PMID:31223435]
OATP1B1/Solute carrier organic anion transporter family member 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1697668] [GtoPdb: 1220] [UniProtKB: Q9Y6L6]
ChEMBL TP_TRANSPORTER: inhibition of Phalloidin uptake (Phalloidin: 1 uM) in OATP-C-expressing HEK293 cells F 5.96 pIC50 1100 nM IC50 Naunyn Schmiedebergs Arch. Pharmacol. (2003) 368: 415-420 [PMID:14530907]

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]