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SMILES: CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1

InChI Key:

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 = 50586409   
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 beta


(Homo sapiens (Human))
BDBM50586409
PNG
(CHEMBL5088360)
Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labeled E2 from LBD of ERbeta (unknown origin) by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02230
BindingDB Entry DOI: 10.7270/Q26H4N92
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50586409
PNG
(CHEMBL5088360)
Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labeled E2 from LBD of ERalpha (unknown origin) by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02230
BindingDB Entry DOI: 10.7270/Q26H4N92
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50586409
PNG
(CHEMBL5088360)
Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERbeta (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation by dual luciferase ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02230
BindingDB Entry DOI: 10.7270/Q26H4N92
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50586409
PNG
(CHEMBL5088360)
Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCNC(=O)CCc2nc3cc(O)ccc3[nH]2)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 81n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERalpha (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation by dual luciferase...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02230
BindingDB Entry DOI: 10.7270/Q26H4N92
More data for this
Ligand-Target Pair