BDBM13775 (1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one::11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione::3H-cortisol::HYDROCORTISONE::US10188667, Example 00023::[3H]cortisol::cortisol

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

InChI Key InChIKey=JYGXADMDTFJGBT-VWUMJDOOSA-N

Data  3 KI  11 IC50  3 Kd  4 EC50

PDB links: 12 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 13775   

TargetCorticosteroid-binding globulin(Homo sapiens)
Nippon Zoki Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Affinity DataKi:  13nMAssay Description:Binding affinity to human CBG receptor (corticosteroid-binding globulins)More data for this Ligand-Target Pair
TargetGlucocorticoid receptor(Homo sapiens (Human))
Trinity College

Curated by ChEMBL
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Affinity DataKi:  30nMAssay Description:Displacement of [3H]DEX from human glucocorticoid receptorMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member(Danio rerio (Zebrafish))
Rudjer Boskovic Institute

LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Affinity DataKi:  1.20E+5nMAssay Description:In the inhibition experiments, the cells were preincubated for 20 s with test compounds, followed by a 5-min incubation with [3H]E3S (5 nM) or 30-min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Mus musculus (Mouse))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
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
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
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
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
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
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSex hormone-binding globulin(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Affinity DataKd:  631nMAssay Description:Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAndrogen receptor(Rattus norvegicus (Rat))
University Of Basel

Curated by ChEMBL
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Affinity DataIC50:  1.82E+5nMAssay Description:Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Affinity DataIC50: >5.00E+4nMAssay Description:TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRho GTPase-activating protein 35(Homo sapiens (Human))
Allergan

US Patent
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Affinity DataEC50:  41.6nMAssay Description:Glucocorticoid receptor (GR) activation potency was assessed using a HeLa cell line containing the MMTV-bla reporter (MMTV-bla HeLa CELLSENSOR®, Invi...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetMineralocorticoid receptor(Homo sapiens (Human))
Allergan

US Patent
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Affinity DataEC50:  2.90nMAssay Description:Mineralocorticoid receptor (MR) activation potency was assessed using a HEK 293T cell line containing the UAS-bla reporter (UAS-bla HEK 293T CELLSENS...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetMineralocorticoid receptor(Homo sapiens (Human))
Allergan

US Patent
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Affinity DataKd:  0.5nMAssay Description:Binding affinity to MR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Affinity DataIC50:  2.52E+5nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucocorticoid receptor(RAT)
University Of Tennessee

Curated by ChEMBL
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Affinity DataIC50:  25nMAssay Description:Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...More data for this Ligand-Target Pair
TargetGlucocorticoid receptor(RAT)
University Of Tennessee

Curated by ChEMBL
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Affinity DataEC50:  2.51E+3nMAssay Description:Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induct...More data for this Ligand-Target Pair
TargetGlucocorticoid receptor(RAT)
University Of Tennessee

Curated by ChEMBL
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Affinity DataIC50:  316nMAssay Description:Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with CCL2-promoter luciferase plasmid construct assessed as reducti...More data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
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 2J2(Homo sapiens (Human))
Tongji University

Curated by ChEMBL
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
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(RAT)
University Of Tennessee

Curated by ChEMBL
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Affinity DataEC50:  100nMAssay Description:Agonist activity at glucocorticoid receptor in rat INS-1 832/13 cells transfected with 3XGRE-promoter luciferase plasmid construct assessed as induct...More data for this Ligand-Target Pair
TargetGlucocorticoid receptor(MOUSE)
TBA

Curated by ChEMBL
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Affinity DataKd:  43nMAssay Description:Displacement of 1 x 10'-8 M of [1,2,3-3H]-triamcinolone acetonide from glucocorticoid receptor in soluble fraction of mouse L929 cells after 20 hrsMore data for this Ligand-Target Pair