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BDBM269357 (E)-3-(4-((2-(2,4- bis(trifluoromethyl) phenyl)-6-hydroxy- benzo[b]thiophen-3- yl)oxy)phenyl)-acrylic acid::US10058534, 11

SMILES: OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(cc2C(F)(F)F)C(F)(F)F)cc1

InChI Key: InChIKey=YZMNSCSRLDNMBW-XCVCLJGOSA-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 = 269357   
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))
BDBM269357
PNG
((E)-3-(4-((2-(2,4- bis(trifluoromethyl) phenyl)-6-...)
Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(cc2C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C25H14F6O4S/c26-24(27,28)14-4-8-17(19(11-14)25(29,30)31)23-22(18-9-5-15(32)12-20(18)36-23)35-16-6-1-13(2-7-16)3-10-21(33)34/h1-12,32H,(H,33,34)/b10-3+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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))
BDBM269357
PNG
((E)-3-(4-((2-(2,4- bis(trifluoromethyl) phenyl)-6-...)
Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(cc2C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C25H14F6O4S/c26-24(27,28)14-4-8-17(19(11-14)25(29,30)31)23-22(18-9-5-15(32)12-20(18)36-23)35-16-6-1-13(2-7-16)3-10-21(33)34/h1-12,32H,(H,33,34)/b10-3+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 53n/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