BDBM50494961 CHEMBL3099428::US10570077, Compound 11

SMILES [H][C@@]12CC=C([C@@H](C)CCO)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]

InChI Key InChIKey=TTWLNSHTBPTSHV-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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50494961   

TargetEstrogen receptor(Human)
Marquette University

US Patent
LigandPNGBDBM50494961(CHEMBL3099428 | US10570077, Compound 11)
Affinity DataKd:  320nMAssay 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 beta(Human)
Marquette University

Curated by ChEMBL
LigandPNGBDBM50494961(CHEMBL3099428 | US10570077, Compound 11)
Affinity DataIC50: 108nMAssay 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
TargetEstrogen receptor beta(Human)
Marquette University

Curated by ChEMBL
LigandPNGBDBM50494961(CHEMBL3099428 | US10570077, Compound 11)
Affinity DataIC50: 275nMAssay Description:Antagonist activity at ERbeta (unknown origin) assessed as inhibition of E2-induced receptor activation after 22 hrs by cell-based luciferase reporte...More 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
LigandPNGBDBM50494961(CHEMBL3099428 | US10570077, Compound 11)
Affinity DataKd:  320nMAssay 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