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BDBM269350 (E)-3-(4-((2-(3- fluorophenyl)-6- hydroxybenzo[b] thiophen-3-yl)oxy) phenyl)-acrylic acid::US10058534, 7

SMILES: OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2cccc(F)c2)cc1

InChI Key: InChIKey=NYHKFDHITQDZMI-IZZDOVSWSA-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 = 269350   
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))
BDBM269350
PNG
((E)-3-(4-((2-(3- fluorophenyl)-6- hydroxybenzo[b] ...)
Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2cccc(F)c2)cc1
Show InChI InChI=1S/C23H15FO4S/c24-16-3-1-2-15(12-16)23-22(19-10-7-17(25)13-20(19)29-23)28-18-8-4-14(5-9-18)6-11-21(26)27/h1-13,25H,(H,26,27)/b11-6+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 29n/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)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2M32XSG
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM269350
PNG
((E)-3-(4-((2-(3- fluorophenyl)-6- hydroxybenzo[b] ...)
Show SMILES OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2cccc(F)c2)cc1
Show InChI InChI=1S/C23H15FO4S/c24-16-3-1-2-15(12-16)23-22(19-10-7-17(25)13-20(19)29-23)28-18-8-4-14(5-9-18)6-11-21(26)27/h1-13,25H,(H,26,27)/b11-6+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 713n/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)


Article DOI: 10.1016/j.bmc.2005.07.038
BindingDB Entry DOI: 10.7270/Q2M32XSG
More data for this
Ligand-Target Pair