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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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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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]