tacrolimus [Ligand Id: 6784] activity data from GtoPdb and ChEMBL

Click here for a description of the charts and data table

Please tell us if you are using this feature and what you think!

ChEMBL ligand: CHEMBL269732 (104987-11-3, Anhydrous tacrolimus, FK-506, FR-900506, Fujimycin, Prograf, Prograph, Protopic, Tacro, Tacrolimus, Tacrolimus anhydrous, Tacrolimus, anhydrous, Tsukubaenolide)
  • ABCG2/ATP-binding cassette sub-family G member 2 in Human [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • FKBP prolyl isomerase 1A/FK506-binding protein 1A in Human [ChEMBL: CHEMBL1902] [GtoPdb: 2609] [UniProtKB: P62942]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • FKBP prolyl isomerase 4/FK506 binding protein 4 in Human [ChEMBL: CHEMBL4050] [GtoPdb: 3176] [UniProtKB: Q02790]
There should be some charts here, you may need to enable JavaScript!
  • FKBP prolyl isomerase 5/Peptidyl-prolyl cis-trans isomerase FKBP5 in Human [ChEMBL: CHEMBL2052031] [GtoPdb: 3175] [UniProtKB: Q13451]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • mechanistic target of rapamycin kinase/Serine/threonine-protein kinase mTOR in Human [ChEMBL: CHEMBL2842] [GtoPdb: 2109] [UniProtKB: P42345]
There should be some charts here, you may need to enable JavaScript!
  • Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform in Human [ChEMBL: CHEMBL4445] [UniProtKB: Q08209]
There should be some charts here, you may need to enable JavaScript!
  • OATP1B1/Solute carrier organic anion transporter family member 1B1 in Human [ChEMBL: CHEMBL1697668] [GtoPdb: 1220] [UniProtKB: Q9Y6L6]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • TRPM8 in Human [GtoPdb: 500] [UniProtKB: Q7Z2W7]
There should be some charts here, you may need to enable JavaScript!
DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
ABCG2/ATP-binding cassette sub-family G member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
ChEMBL Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells mediated pheophorbide A efflux and measured after 90 mins by FACSflow cytometry B 5.48 pIC50 3300 nM IC50 Eur J Med Chem (2022) 237: 114346-114346 [PMID:35483322]
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 6 pIC50 1000 nM IC50 DrugMatrix in vitro pharmacology data
FKBP prolyl isomerase 1A/FK506-binding protein 1A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1902] [GtoPdb: 2609] [UniProtKB: P62942]
ChEMBL Binding affinity to FKBP12 (unknown origin) B 9.4 pKd 0.4 nM Kd J Med Chem (2016) 59: 9622-9644 [PMID:27409354]
ChEMBL Binding affinity to FK506 binding protein 12 was determined B 9.7 pKd 0.2 nM Kd Bioorg Med Chem Lett (1995) 5: 2341-2346
ChEMBL The compound was evaluated for its affinity to the binding domain of immunophilin FK506 binding protein 12 B 9.7 pKd 0.2 nM Kd Bioorg Med Chem Lett (1993) 3: 1947-1950
ChEMBL Compound was tested for its ability to inhibit FK506 binding protein 12 rotamase activity B 9.4 pKi 0.4 nM Ki J Med Chem (1998) 41: 5119-5143 [PMID:9857082]
GtoPdb - - 9.4 pKi 0.4 nM Ki J Med Chem (1998) 41: 5119-43 [PMID:9857082]
ChEMBL Binding affinity to FKBP12 (unknown origin) expressed in HEK293 cells co-expressing FRB assessed as inhibition of rapamycin-induced FKBP12-FRB dimerization measured after 25 mins by nano-glo live cell reagent based luminescence assay B 4.42 pIC50 38290 nM IC50 Eur J Med Chem (2021) 213: 113160-113160 [PMID:33493827]
ChEMBL Binding affinity towards recombinant FK506 binding protein 12 to determine the FKBP binding property of the compound B 6 pIC50 1000 nM IC50 J Med Chem (1981) 24: 496-499 [PMID:7241506]
ChEMBL Antagonist activity at human FKBP12 measured after 30 mins by fluorescein labelled SLF tracer based fluorescence polarization assay B 7.85 pIC50 14.05 nM IC50 Bioorg Med Chem Lett (2017) 27: 2465-2471 [PMID:28412204]
ChEMBL Inhibitory binding activity against human Immunophilin-FK-506 binding protein 12 B 8.6 pIC50 2.5 nM IC50 J Med Chem (1998) 41: 1764-1776 [PMID:9599228]
ChEMBL The compound was tested for binding affinity against human FK506 binding protein 12 B 8.64 pIC50 2.3 nM IC50 J Med Chem (1999) 42: 4456-4461 [PMID:10543889]
ChEMBL Effective concentration against FK506 binding protein 12 using [3H]-dihydro FK-506 B 9.05 pEC50 0.9 nM EC50 Bioorg Med Chem Lett (1999) 9: 2089-2094 [PMID:10450987]
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 9.4 pKd 0.4 nM Kd J Med Chem (2014) 57: 7819-7837 [PMID:24913411]
FKBP prolyl isomerase 4/FK506 binding protein 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4050] [GtoPdb: 3176] [UniProtKB: Q02790]
ChEMBL Binding affinity to FKBP52 (unknown origin) B 7.64 pKd 23 nM Kd J Med Chem (2016) 59: 9622-9644 [PMID:27409354]
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 FKBP51 (unknown origin) B 6.98 pKd 104 nM Kd J Med Chem (2016) 59: 9622-9644 [PMID:27409354]
ChEMBL Binding affinity to FKBP51 (unknown origin) B 7.03 pKi 93 nM Ki J Med Chem (2016) 59: 9622-9644 [PMID:27409354]
ChEMBL Binding affinity to human FKBP51 by competitive fluorescence polarization assay B 7.1 pKi 80 nM Ki J Med Chem (2013) 56: 3922-3935 [PMID:23647266]
ChEMBL Binding affinity to FKBP51 (unknown origin) by competitive fluorescence polarization assay B 7.1 pKi 79 nM Ki J Med Chem (2016) 59: 2410-2422 [PMID:26954324]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiplasmodial activity against blood stage of Plasmodium falciparum 3D7 assessed as parasite growth inhibition F 5.72 pIC50 1900 nM IC50 ACS Med Chem Lett (2020) 11: 2131-2138 [PMID:33209191]
mechanistic target of rapamycin kinase/Serine/threonine-protein kinase mTOR in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2842] [GtoPdb: 2109] [UniProtKB: P42345]
ChEMBL The inhibitory activity by using FK506 binding protein 12 SPA binding assay B 8.5 pIC50 3.16 nM IC50 Bioorg Med Chem Lett (2000) 10: 1007-1010 [PMID:10843203]
ChEMBL Inhibitory activity against macrophilin (FKBP-12) B 9.02 pIC50 0.95 nM IC50 J Med Chem (2004) 47: 4950-4957 [PMID:15369399]
Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4445] [UniProtKB: Q08209]
ChEMBL Binding affinity to protein phosphatase, calcineurin (CN) was determined B 7.7 pKd 20 nM Kd Bioorg Med Chem Lett (1995) 5: 2341-2346
ChEMBL Inhibitory activity against Calcineurin (CaN phosphatase) B 7.83 pIC50 14.8 nM IC50 Bioorg Med Chem Lett (1999) 9: 2089-2094 [PMID:10450987]
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 5.43 pIC50 3700 nM IC50 Naunyn Schmiedebergs Arch Pharmacol (2003) 368: 415-420 [PMID:14530907]
Splicing factor 3B subunit 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1250378] [UniProtKB: Q15393]
ChEMBL Inhibition of SAP130 in VEGF-stimulated human U251 cells by PLAP reporter gene assay B 7.86 pIC50 13.8 nM IC50 Nat Chem Biol (2007) 3: 570-575 [PMID:17643112]
ChEMBL Inhibition of SAP130 mediated cell growth in human WiDr cells B 7.96 pIC50 10.9 nM IC50 Nat Chem Biol (2007) 3: 570-575 [PMID:17643112]
TRPM8 in Human [GtoPdb: 500] [UniProtKB: Q7Z2W7]
GtoPdb FURA2AM experiments, human TRPM8 - 4.85 pEC50 14100 nM EC50 J Neurosci (2019) 39: 949-969 [PMID:30545944]

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]