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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 269469   
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))
BDBM269469
PNG
((E)-3-(4-((6-hydroxy-2- (2-isopropyl-6- methylphen...)
Show SMILES CC(C)c1cccc(C)c1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 |(1.29,-7.98,;1.29,-6.44,;-.04,-5.67,;2.63,-5.67,;3.96,-6.44,;5.3,-5.67,;5.3,-4.13,;3.96,-3.36,;3.96,-1.82,;2.63,-4.13,;1.22,-3.5,;-.03,-4.41,;-1.27,-3.5,;-2.78,-3.82,;-3.81,-2.68,;-5.3,-3.08,;-3.33,-1.21,;-1.83,-.89,;-.8,-2.04,;.74,-2.04,;1.83,-.95,;1.44,.54,;2.52,1.63,;2.13,3.12,;.64,3.51,;.24,5,;-1.25,5.4,;-1.65,6.89,;-3.13,7.29,;-.56,7.98,;-.45,2.43,;-.05,.94,)|
Show InChI InChI=1S/C27H24O4S/c1-16(2)21-6-4-5-17(3)25(21)27-26(22-13-10-19(28)15-23(22)32-27)31-20-11-7-18(8-12-20)9-14-24(29)30/h4-16,28H,1-3H3,(H,29,30)/b14-9+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/an/an/an/a7.425



Novartis AG

US Patent


Assay Description
Plate MCF7 cells at 0.3 million cells/mL (100 l/well) in black, clear-bottom 96-well plates (Greiner, catalog number 655090) in DMEM/F12 media (Gibco...


US Patent US10058534 (2018)


BindingDB Entry DOI: 10.7270/Q2M32XSG
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM269469
PNG
((E)-3-(4-((6-hydroxy-2- (2-isopropyl-6- methylphen...)
Show SMILES CC(C)c1cccc(C)c1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 |(1.29,-7.98,;1.29,-6.44,;-.04,-5.67,;2.63,-5.67,;3.96,-6.44,;5.3,-5.67,;5.3,-4.13,;3.96,-3.36,;3.96,-1.82,;2.63,-4.13,;1.22,-3.5,;-.03,-4.41,;-1.27,-3.5,;-2.78,-3.82,;-3.81,-2.68,;-5.3,-3.08,;-3.33,-1.21,;-1.83,-.89,;-.8,-2.04,;.74,-2.04,;1.83,-.95,;1.44,.54,;2.52,1.63,;2.13,3.12,;.64,3.51,;.24,5,;-1.25,5.4,;-1.65,6.89,;-3.13,7.29,;-.56,7.98,;-.45,2.43,;-.05,.94,)|
Show InChI InChI=1S/C27H24O4S/c1-16(2)21-6-4-5-17(3)25(21)27-26(22-13-10-19(28)15-23(22)32-27)31-20-11-7-18(8-12-20)9-14-24(29)30/h4-16,28H,1-3H3,(H,29,30)/b14-9+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 114n/an/an/an/a5.137



Novartis AG

US Patent


Assay Description
The ER transcription assay is a reporter assay that is based on the ability of ER to induce transcription from a luciferase reporter gene containing ...


US Patent US10058534 (2018)


BindingDB Entry DOI: 10.7270/Q2M32XSG
More data for this
Ligand-Target Pair