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ChEMBL ligand: CHEMBL269732 (FK-506, FK506, FR-900506, NSC-758659, Prograf, Protopic, Tacrolimus, Tacrolimus monohydrate) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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 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 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] |
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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]