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BDBM269410 (E)-3-(4-((6-hydroxy-2- (4- hydroxyphenyl)benzo[b] thiophen-3- yl)oxy)phenyl)-N-(2- hydroxyethyl)acrylamide::US10058534, 65

SMILES: OCCNC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1

InChI Key: InChIKey=ZMVBUHBWRJLOBX-KGVSQERTSA-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 = 269410   
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))
BDBM269410
PNG
((E)-3-(4-((6-hydroxy-2- (4- hydroxyphenyl)benzo[b]...)
Show SMILES OCCNC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H21NO5S/c27-14-13-26-23(30)12-3-16-1-9-20(10-2-16)31-24-21-11-8-19(29)15-22(21)32-25(24)17-4-6-18(28)7-5-17/h1-12,15,27-29H,13-14H2,(H,26,30)/b12-3+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Induction of selective estrogen receptor alpha degradation in human MCF7 cells harboring TK-ERE-Luc assessed as reduction in estradiol-induced transc...


J Med Chem 61: 2837-2864 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01682
BindingDB Entry DOI: 10.7270/Q2TB1986
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM269410
PNG
((E)-3-(4-((6-hydroxy-2- (4- hydroxyphenyl)benzo[b]...)
Show SMILES OCCNC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H21NO5S/c27-14-13-26-23(30)12-3-16-1-9-20(10-2-16)31-24-21-11-8-19(29)15-22(21)32-25(24)17-4-6-18(28)7-5-17/h1-12,15,27-29H,13-14H2,(H,26,30)/b12-3+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 55n/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