BDBM50094741 CHEMBL3589351

SMILES ONC(=O)CCCCCCC(=O)Nc1ccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(O)cc2)cc1

InChI Key InChIKey=VYEUJBMCAYATKP-UHFFFAOYSA-N

Data  2 KI  3 IC50

  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 5 hits for monomerid = 50094741   

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

Curated by ChEMBL
LigandPNGBDBM50094741(CHEMBL3589351)
Affinity DataIC50: 1.14E+3nMAssay 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
TargetHistone deacetylase 1(Human)
Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University)

Curated by ChEMBL
LigandPNGBDBM50094741(CHEMBL3589351)
Affinity DataIC50: 583nMAssay Description:Inhibition of human recombinant HDAC1 after 15 mins by fluorogenic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2016
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)
Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University)

Curated by ChEMBL
LigandPNGBDBM50094741(CHEMBL3589351)
Affinity DataIC50: 189nMAssay Description:Inhibition of human recombinant HDAC6 after 15 mins by fluorogenic assayMore 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
LigandPNGBDBM50094741(CHEMBL3589351)
Affinity DataKi:  127nMAssay 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
LigandPNGBDBM50094741(CHEMBL3589351)
Affinity DataKi:  148nMAssay 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