BDBM18207 (1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one::US10869929, Compound Dexamethasone::US11554172, Compound Dexamethasone::dexamethasone::dexamethasone (tetramethyl-rhodamine conjugated )

SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C

InChI Key InChIKey=UREBDLICKHMUKA-CXSFZGCWSA-N

Data  24 KI  107 IC50  4 Kd  42 EC50

PDB links: 18 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 107 hits for monomerid = 18207   

TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataKi:  2.10nM ΔG°:  -11.0kcal/mole IC50:  1.40nM EC50:  0.200nMpH: 7.5 T: 2°CAssay Description:Competitive Ligand Binding Assay- The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd) where [L] is the...More data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  12.6nMAssay Description:Displacement of fluorescent-labelled Dexamethasone from glucocorticoid receptorMore data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  1nMAssay Description:Agonist activity at glucocorticoid receptor in human A549 cells by NF-kappaB transrepression assayMore data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  3.98nMAssay Description:Agonist activity at GR in human A549 cells transfected with luciferase gene linked to MMTV promoter assessed as luciferase transactivation activityMore data for this Ligand-Target Pair
TargetPhospholipase A2(Homo sapiens (Human))
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia

LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  610nMpH: 8.0 T: 2°CAssay Description:Substrate 1,2-bis(heptanoylthio)-glycerophosphocholine and human recombinant PLA2-V were resuspended in assay buffer, and DTNB was dissolved in an aq...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhospholipase A2 group V(Homo sapiens (Human))
Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz

LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  620nMpH: 7.5 T: 2°CAssay Description:Briefly, sn-2ester bond of the substrate 1,2-bis(heptanoylthio)-glycerophosphocholine was hydrolyzed by PLA2-V followed by the exposure of free thiol...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  7.90nMAssay Description:Inhibition of fluorescent-labeled Dexamethasone binding to GRChecked by AuthorMore data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  1.20nMAssay Description:Agonist activity at GR assessed as NF-kappaB-mediated transrepression of secreted placental alkaline phosphatase gene in human A549 cellsChecked by AuthorMore data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50: <1.00E+4nMAssay Description:Activity at GR assessed as ability to antagonize dexamethasone-induced MMTV luciferase reporter gene transactivation in human A549 cellsChecked by AuthorMore data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  3nMAssay Description:Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50: >2.00E+3nMAssay Description:Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMineralocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  33nMAssay Description:Displacement of TAMRA-labeled dexamethasone from mineralocorticoid receptor (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  0.5nMAssay Description:Agonist activity at glucocorticoid receptor in human foreskin fibroblasts assessed as inhibition of IL-1-induced IL-6 production by trans-repression ...More data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  1nMAssay Description:Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 productionMore data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  3.5nMAssay Description:Binding affinity to human GRMore data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  1.80nMAssay Description:Transrepression activity at glucocorticoid receptor in human SW1353 cells assessed as repression of IL-1-induced MMP-13 production after 24 hrs by EL...More data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  21nMAssay Description:Transrepression activity at glucocorticoid receptor in human whole blood assessed as repression of IL-1-induced TNF-alpha production after 4 hrs by E...More data for this Ligand-Target Pair
TargetBile salt export pump(Rattus norvegicus)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  2.32E+5nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  1.37E+5nMAssay Description:Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2J2(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  3.80nMAssay Description:Displacement of [3H]dexamethasone from glucocorticoid receptor in human IM9 cellsMore data for this Ligand-Target Pair
TargetGlucocorticoid receptor(RAT)
Kaken Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  22nMAssay Description:Displacement of [3H]dexamethasone from Sprague-Dawley rat GR by liquid scintillation countingMore data for this Ligand-Target Pair
TargetGlucocorticoid receptor(RAT)
Kaken Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  22nMAssay Description:Displacement of [3H]Dex from glucocorticoid receptor in Sprague-Dawley rat liver after 2 hrs by liquid scintillation countingChecked by AuthorMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  33nMAssay Description:Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant mineralocorticoid receptor expressed in baculovirus infected insect...More data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  3nMAssay Description:Displacement of tetramethylrhodamine-labeled Dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus infected insect ce...More data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50: >2.00E+3nMAssay Description:Displacement of tetramethylrhodamine-labeled RU-486 from human recombinant progesterone receptor expressed in baculovirus infected insect cells by fl...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  0.510nMAssay Description:Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL1-induced IL-6 production after 18 to 24 hrsMore data for this Ligand-Target Pair
TargetPhospholipase A2, major isoenzyme(Sus scrofa (pig))
TBA

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50: >7.50E+5nMAssay Description:Tested for its inhibitory activity against Phospholipase A2 (PLA2)More data for this Ligand-Target Pair
In DepthDetails Article
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  1.20E+5nMAssay Description:Tested for its inhibitory activity against 5-lipoxygenaseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetPolyunsaturated fatty acid 5-lipoxygenase(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of rat basophilic leukemia cell 5-lipoxygenaseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetPhospholipase A2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50: >7.50E+5nMAssay Description:Inhibitory activity against polymorphonuclear cell phospholipase-A2 in ratMore data for this Ligand-Target Pair
In DepthDetails Article
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Mus musculus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Mus musculus (Mouse))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCECMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  3.40nMAssay Description:Inhibition of human GRMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50: >2.00E+3nMAssay Description:Inhibition of human PRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMineralocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  33nMAssay Description:Inhibition of human MRMore data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  3nMAssay Description:Inhibition of tetramethylrhodamine labeled dexamethosone binding to GR by FP assayMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50: >2.00E+3nMAssay Description:Inhibition of tetramethylrhodamine labeled RU486 binding to PR by FP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMineralocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  33nMAssay Description:Inhibition of tetramethylrhodamine labeled dexamethosone binding to MR by FP assayMore data for this Ligand-Target Pair
TargetProgesterone receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50: >2.00E+3nMAssay Description:Displacement of TAMRA labeled Dexamethasone at human progesterone receptor in insect cellMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  3nMAssay Description:Displacement of TAMRA labeled Dexamethasone at human glucocorticoid receptor in insect cellMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  33nMAssay Description:Displacement of TAMRA labeled mifepristone at human mineralocorticoid receptor in insect cellMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50: >2.00E+4nMAssay Description:Binding affinity to AR (unknown origin) by FP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProgesterone receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  440nMAssay Description:Binding affinity to PR (unknown origin) by FP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProgesterone receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50: >2.00E+3nMAssay Description:Displacement of TAMRA-labeled mifepristone from progesterone receptor (unknown origin) by fluorescence polarization competitive binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMineralocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  33nMAssay Description:Binding affinity to mineralocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assayMore data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM18207((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Affinity DataIC50:  3.5nMAssay Description:Displacement of TAMRA-labeled dexamethasone from glucocorticoid receptor (unknown origin) by fluorescence polarization competitive binding assayMore data for this Ligand-Target Pair