BDBM50494963 CHEMBL3099431::US10570077, Compound 13

SMILES [H][C@@]12CCC3(OC(C)C[C@@H]3C)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]

InChI Key InChIKey=XBTNMOPAIXKVGQ-UHFFFAOYSA-N

Data  2 IC50  2 Kd

  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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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50494963   

TargetEstrogen receptor(Human)
Marquette University

US Patent
LigandPNGBDBM50494963(CHEMBL3099431 | US10570077, Compound 13)
Affinity DataKd:  160nMAssay Description:Twelve compounds from Schemes 1 and 2 were screened using fluorescence polarization, for their ability to bind ERα (Table 1). Only six compounds...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2020
Entry Details
Go to US Patent

TargetEstrogen receptor(Human)
Marquette University

US Patent
LigandPNGBDBM50494963(CHEMBL3099431 | US10570077, Compound 13)
Affinity DataKd:  160nMAssay Description:Displacement of FITC-estradiol from human ERalpha by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
Marquette University

US Patent
LigandPNGBDBM50494963(CHEMBL3099431 | US10570077, Compound 13)
Affinity DataIC50: 484nMAssay Description:Agonist activity at ERalpha (unknown origin) after 22 hrs by cell-based luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed
TargetEstrogen receptor beta(Human)
Marquette University

Curated by ChEMBL
LigandPNGBDBM50494963(CHEMBL3099431 | US10570077, Compound 13)
Affinity DataIC50: 111nMAssay Description:Agonist activity at ERbeta (unknown origin) after 22 hrs by cell-based luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2020
Entry Details Article
PubMed