BDBM50094739 CHEMBL3589368

SMILES OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc2ccccc2c1)c1ccc(O)cc1

InChI Key InChIKey=VUMXOSQTUDDRDH-UHFFFAOYSA-N

Data  2 KI  3 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50094739   

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

Curated by ChEMBL
LigandPNGBDBM50094739(CHEMBL3589368)
Affinity DataIC50: 920nMAssay Description:Antagonist activity at ER-alpha (unknown origin) transfected in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs by luci...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
LigandPNGBDBM50094739(CHEMBL3589368)
Affinity DataIC50: 282nMAssay 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
LigandPNGBDBM50094739(CHEMBL3589368)
Affinity DataIC50: 8.11E+3nMAssay 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
LigandPNGBDBM50094739(CHEMBL3589368)
Affinity DataEC50:  530nMAssay Description:Agonist activity at ER-beta (unknown origin) transfected in HEK293T cells assessed as stimulation of transcriptional activity after 24 hrs by lucifer...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
LigandPNGBDBM50094739(CHEMBL3589368)
Affinity DataKi:  56nMAssay 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
LigandPNGBDBM50094739(CHEMBL3589368)
Affinity DataKi:  169nMAssay 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