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BDBM269422 (E)-3-(4-((2-(2- ((dimethylamino)methyl) phenyl)-6- hydroxybenzo[b]thiophen- 3-yl)oxy)phenyl)acrylic acid::US10058534, 77

SMILES: CN(C)Cc1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1

InChI Key: InChIKey=PPVGAELBQYVJPN-NTEUORMPSA-N

Data: 2 IC50

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 2 hits for monomerid = 269422   
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))
BDBM269422
PNG
((E)-3-(4-((2-(2- ((dimethylamino)methyl) phenyl)-6...)
Show SMILES CN(C)Cc1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C26H23NO4S/c1-27(2)16-18-5-3-4-6-21(18)26-25(22-13-10-19(28)15-23(22)32-26)31-20-11-7-17(8-12-20)9-14-24(29)30/h3-15,28H,16H2,1-2H3,(H,29,30)/b14-9+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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))
BDBM269422
PNG
((E)-3-(4-((2-(2- ((dimethylamino)methyl) phenyl)-6...)
Show SMILES CN(C)Cc1ccccc1-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C26H23NO4S/c1-27(2)16-18-5-3-4-6-21(18)26-25(22-13-10-19(28)15-23(22)32-26)31-20-11-7-17(8-12-20)9-14-24(29)30/h3-15,28H,16H2,1-2H3,(H,29,30)/b14-9+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 44n/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