BDBM50410506 ESTRIOL

SMILES C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O

InChI Key InChIKey=PROQIPRRNZUXQM-UHFFFAOYSA-N

Data  2 KI  3 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50410506   

TargetSex hormone-binding globulin(Human)
University of British Columbia

Curated by ChEMBL
LigandPNGBDBM50410506(ESTRIOL)
Affinity DataKd:  234nMAssay Description:Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2013
Entry Details Article
PubMed
TargetAndrogen receptor(Rat)
University of Basel

Curated by ChEMBL
LigandPNGBDBM50410506(ESTRIOL)
Affinity DataIC50: 4.37E+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 Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50410506(ESTRIOL)
Affinity DataIC50: 1.00E+6nMAssay 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 Depth
Date in BDB:
9/28/2019
Entry Details Article
PubMed
TargetAlpha-synuclein(Human)
University of Catania

Curated by ChEMBL
LigandPNGBDBM50410506(ESTRIOL)
Affinity DataIC50: 2.01E+4nMAssay Description:Inhibition of alpha-synuclein aggregation (unknown origin) incubated for 8 days by thioflavin S based fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMed
TargetSolute carrier organic anion transporter family member 1A1(Rat)
Albert Einstein College of Medicine

Curated by ChEMBL
LigandPNGBDBM50410506(ESTRIOL)
Affinity DataKi:  9.80E+3nMAssay Description:TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetCorticosteroid-binding globulin(Human)
Nippon Zoki Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50410506(ESTRIOL)
Affinity DataKi:  1.00E+4nMAssay Description:Binding affinity to human CBG receptor (corticosteroid-binding globulins)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2020
Entry Details Article
PubMed