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BDBM50544708 CHEBI:34029::CHEMBL2392656

SMILES: CC(c1ccc(O)cc1)c1ccc(O)cc1

InChI Key: InChIKey=HCNHNBLSNVSJTJ-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50544708   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))
BDBM50544708
PNG
(CHEBI:34029 | CHEMBL2392656)
Show SMILES CC(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C14H14O2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10,15-16H,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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MCE
KEGG
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 6.16E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta estradiol from GST-fused human recombinant ERalpha ligand binding domain expressed in Escherichia coli BL21alpha cells in...


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50544708
PNG
(CHEBI:34029 | CHEMBL2392656)
Show SMILES CC(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C14H14O2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10,15-16H,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
PDB
UniChem
PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta (unknown origin) expressed in human HeLa cells assessed as transcriptional activation measured after 24 hrs by luciferase ...


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50544708
PNG
(CHEBI:34029 | CHEMBL2392656)
Show SMILES CC(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C14H14O2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10,15-16H,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
PDB
UniChem
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha (unknown origin) expressed in human HeLa cells assessed as transcriptional activation measured after 24 hrs by luciferase...


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50544708
PNG
(CHEBI:34029 | CHEMBL2392656)
Show SMILES CC(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C14H14O2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10,15-16H,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
PDB
UniChem
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta estradiol from GST-fused human recombinant ERbeta ligand binding domain expressed in Escherichia coli BL21alpha cells inc...


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair