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BDBM269463 (E)-3-(4-((6-hydroxy-2- (2- isopropylphenyl)benzo [b]thiophen-3- yl)amino)phenyl)acrylic acid::US10058534, 118

SMILES: CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Nc1ccc(\C=C\C(O)=O)cc1

InChI Key: InChIKey=YRTUCHBNNALTBG-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 = 269463   
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))
BDBM269463
PNG
((E)-3-(4-((6-hydroxy-2- (2- isopropylphenyl)benzo ...)
Show SMILES CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Nc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C26H23NO3S/c1-16(2)20-5-3-4-6-21(20)26-25(22-13-12-19(28)15-23(22)31-26)27-18-10-7-17(8-11-18)9-14-24(29)30/h3-16,27-28H,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 2.80n/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))
BDBM269463
PNG
((E)-3-(4-((6-hydroxy-2- (2- isopropylphenyl)benzo ...)
Show SMILES CC(C)c1ccccc1-c1sc2cc(O)ccc2c1Nc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C26H23NO3S/c1-16(2)20-5-3-4-6-21(20)26-25(22-13-12-19(28)15-23(22)31-26)27-18-10-7-17(8-11-18)9-14-24(29)30/h3-16,27-28H,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 68n/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