tacrolimus [Ligand Id: 6784] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL269732 (104987-11-3, Anhydrous tacrolimus, Fujimycin, Prograph, Tacro, Tacrolimus anhydrous, Tacrolimus, anhydrous, Tsukubaenolide) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| ABCG2/Broad substrate specificity ATP-binding cassette transporter ABCG2 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/Peptidyl-prolyl cis-trans isomerase FKBP1A 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 | Binding affinity to human FKBP12 expressed in Escherichia coli BL21 DE3 Gold assessed as dissociation constant incubated for 30 mins by competitive fluorescence polarization assay | B | 9.7 | pKd | 0.2 | nM | Kd | Bioorg Med Chem Lett (2024) 104: 129728-129728 [PMID:38582133] |
| ChEMBL | Binding affinity to FKBP12 (unknown origin) assessed as inhibition constant | B | 8.77 | pKi | 1.7 | nM | Ki | Eur J Med Chem (2024) 263: 115950-115950 [PMID:37984298] |
| 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] |
| Peptidyl-prolyl cis-trans isomerase FKBP1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2430] [UniProtKB: P68106] | ||||||||
| ChEMBL | Binding affinity to human FKBP12.6 expressed in Escherichia coli BL21 DE3 Gold assessed as dissociation constant incubated for 30 mins by competitive fluorescence polarization assay | B | 8.83 | pKd | 1.49 | nM | Kd | Bioorg Med Chem Lett (2024) 104: 129728-129728 [PMID:38582133] |
| 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/Peptidyl-prolyl cis-trans isomerase FKBP4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4050] [GtoPdb: 3176] [UniProtKB: Q02790] | ||||||||
| ChEMBL | Binding affinity to human FKBP52 FK1 domain expressed in Escherichia coli BL21 DE3 Gold assessed as dissociation constant incubated for 30 mins by competitive fluorescence polarization assay | B | 6.82 | pKd | 149.7 | nM | Kd | Bioorg Med Chem Lett (2024) 104: 129728-129728 [PMID:38582133] |
| 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 human FKBP51 FK1 domain expressed in Escherichia coli BL21 DE3 Gold assessed as dissociation constant incubated for 30 mins by competitive fluorescence polarization assay | B | 7.12 | pKd | 75.93 | nM | Kd | Bioorg Med Chem Lett (2024) 104: 129728-129728 [PMID:38582133] |
| 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] |
| Protein phosphatase 3 catalytic subunit alpha 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] |
| 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] |
| 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 36:
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]
