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 (Protopic, FK-506, Tacrolimus, FR-900506, Prograf, FK506, Tacrolimus monohydrate)
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 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!
  • 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!
DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
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 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 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 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 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]
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]

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]