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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50551584'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))
BDBM50551584
PNG
(CHEMBL4793264)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCN)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30n/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 measured after 21 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50551584
PNG
(CHEMBL4793264)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCN)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERalpha by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair