BDBM50226465 CHEMBL402063::E-guggulsterone::pregna-4,17(20)-cis-diene-3,16-dione

SMILES CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI Key InChIKey=WDXRGPWQVHZTQJ-UHFFFAOYSA-N

Data  5 KI  9 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50226465   

TargetMineralocorticoid receptor(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50226465(E-guggulsterone | pregna-4,17(20)-cis-diene-3,16-d...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory concentration against Mineralocorticoid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
TargetAndrogen receptor(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50226465(E-guggulsterone | pregna-4,17(20)-cis-diene-3,16-d...)
Affinity DataIC50: 220nMAssay Description:Inhibitory concentration against Androgen receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
TargetProgesterone receptor(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50226465(E-guggulsterone | pregna-4,17(20)-cis-diene-3,16-d...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibitory concentration against Progesterone receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
TargetGlucocorticoid receptor(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50226465(E-guggulsterone | pregna-4,17(20)-cis-diene-3,16-d...)
Affinity DataIC50: 1.74E+3nMAssay Description:Inhibitory concentration against Glucocorticoid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
TargetBile acid receptor(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50226465(E-guggulsterone | pregna-4,17(20)-cis-diene-3,16-d...)
Affinity DataIC50: 4.10E+3nMAssay Description:Antagonist activity at human FXR expressed in monkey CV1 cells after 24 hrs by ecdysone receptor response element-driven luciferase reporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed
TargetBile acid receptor(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50226465(E-guggulsterone | pregna-4,17(20)-cis-diene-3,16-d...)
Affinity DataIC50: 4.10E+4nMAssay Description:Antagonist activity at human FXR expressed in HEK293 cells assessed as inhibition of GW4064-induced transactivation after 24 hrs by luciferase report...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/14/2017
Entry Details Article
PubMed
TargetBile acid receptor(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50226465(E-guggulsterone | pregna-4,17(20)-cis-diene-3,16-d...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibitory concentration against Farnesoid X receptor; range from 50-100000More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50226465(E-guggulsterone | pregna-4,17(20)-cis-diene-3,16-d...)
Affinity DataIC50: 2.40nMAssay Description:Inhibitory concentration against Pregnane X receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
TargetBile acid receptor(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50226465(E-guggulsterone | pregna-4,17(20)-cis-diene-3,16-d...)
Affinity DataIC50: 4.40E+4nMAssay Description:Antagonist activity at human FXR expressed in CV-1 cells assessed as inhibition of CDCA-induced transactivation after 24 hrs by luciferase reporter g...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2013
Entry Details Article
PubMed
TargetMineralocorticoid receptor(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50226465(E-guggulsterone | pregna-4,17(20)-cis-diene-3,16-d...)
Affinity DataKi:  39nMAssay Description:Inhibitory concentration against Mineralocorticoid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
TargetProgesterone receptor(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50226465(E-guggulsterone | pregna-4,17(20)-cis-diene-3,16-d...)
Affinity DataKi:  201nMAssay Description:Inhibitory concentration against Progesterone receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
TargetGlucocorticoid receptor(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50226465(E-guggulsterone | pregna-4,17(20)-cis-diene-3,16-d...)
Affinity DataKi:  224nMAssay Description:Inhibitory concentration against Glucocorticoid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
TargetAndrogen receptor(Human)
University of Perugia

Curated by ChEMBL
LigandPNGBDBM50226465(E-guggulsterone | pregna-4,17(20)-cis-diene-3,16-d...)
Affinity DataKi:  240nMAssay Description:Inhibitory concentration against Androgen receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed
TargetBile acid receptor(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50226465(E-guggulsterone | pregna-4,17(20)-cis-diene-3,16-d...)
Affinity DataKi: >5.00E+3nMAssay Description:Inhibitory concentration against Farnesoid X receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2012
Entry Details Article
PubMed