BDBM50094744 CHEMBL3589360

SMILES OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(F)cc1)c1ccc(O)cc1

InChI Key InChIKey=CRXGYCXYGGMFRY-UHFFFAOYSA-N

Data  2 KI  1 IC50  1 EC50

  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 = 50094744   

TargetEstrogen receptor beta(Human)
Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University)

Curated by ChEMBL
LigandPNGBDBM50094744(CHEMBL3589360)
Affinity DataIC50: 280nMAssay Description:Antagonist activity at ER-beta (unknown origin) transfected in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs by lucif...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2016
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University)

Curated by ChEMBL
LigandPNGBDBM50094744(CHEMBL3589360)
Affinity DataEC50:  1.80E+4nMAssay Description:Agonist activity at ER-alpha (unknown origin) transfected in HEK293T cells assessed as stimulation of transcriptional activity after 24 hrs by lucife...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2016
Entry Details Article
PubMed
TargetEstrogen receptor beta(Human)
Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University)

Curated by ChEMBL
LigandPNGBDBM50094744(CHEMBL3589360)
Affinity DataKi:  50nMAssay Description:Binding affinity to human ER-beta ligand binding domain after 2 hrs by competitive fluorometric binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2016
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University)

Curated by ChEMBL
LigandPNGBDBM50094744(CHEMBL3589360)
Affinity DataKi:  92nMAssay Description:Binding affinity to human ER-alpha ligand binding domain after 2 hrs by competitive fluorometric binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2016
Entry Details Article
PubMed