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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50523931'   
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))
BDBM50523931
PNG
(Cyclofenil | F 6066 | ICI 48213 | Neoclym | Rehibi...)
Show SMILES [#6]-[#6](=O)-[#8]-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(-[#8]-[#6](-[#6])=O)cc1
Show InChI InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



the University of Tokyo

Curated by ChEMBL


Assay Description
Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as reduction in E2-induced ER-alpha-mediated transcrip...


Bioorg Med Chem 27: 1952-1961 (2019)


Article DOI: 10.1016/j.bmc.2019.03.042
BindingDB Entry DOI: 10.7270/Q24171GJ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50523931
PNG
(Cyclofenil | F 6066 | ICI 48213 | Neoclym | Rehibi...)
Show SMILES [#6]-[#6](=O)-[#8]-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(-[#8]-[#6](-[#6])=O)cc1
Show InChI InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 26n/an/an/an/a



the University of Tokyo

Curated by ChEMBL


Assay Description
Selective estrogen receptor down-regulator activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ERalph...


Bioorg Med Chem 27: 1952-1961 (2019)


Article DOI: 10.1016/j.bmc.2019.03.042
BindingDB Entry DOI: 10.7270/Q24171GJ
More data for this
Ligand-Target Pair