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BDBM349623 (4-fluoro-2,6-dimethylphenyl)(3-(4-(2- (3-(fluoromethyl)azetidin-1- yl)ethyl)phenoxy)-6- hydroxybenzo[b]thiophen-2- yl)methanone::US10208011, Compound 117

SMILES: Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(CCN2CC(CF)C2)cc1

InChI Key: InChIKey=NLNHITIRARCBHK-UHFFFAOYSA-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 = 349623   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G-protein coupled estrogen receptor 1


(Homo sapiens (Human))
BDBM349623
PNG
((4-fluoro-2,6-dimethylphenyl)(3-(4-(2- (3-(fluorom...)
Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(CCN2CC(CF)C2)cc1
Show InChI InChI=1S/C29H27F2NO3S/c1-17-11-21(31)12-18(2)26(17)27(34)29-28(24-8-5-22(33)13-25(24)36-29)35-23-6-3-19(4-7-23)9-10-32-15-20(14-30)16-32/h3-8,11-13,20,33H,9-10,14-16H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
All reagents used in this assay was supplied in the Human ERα Reporter Assay by Indigo Biosciences # IB00401. In an effort to screen selective e...


US Patent US10208011 (2019)


BindingDB Entry DOI: 10.7270/Q25141CC
More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens (Human))
BDBM349623
PNG
((4-fluoro-2,6-dimethylphenyl)(3-(4-(2- (3-(fluorom...)
Show SMILES Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(CCN2CC(CF)C2)cc1
Show InChI InChI=1S/C29H27F2NO3S/c1-17-11-21(31)12-18(2)26(17)27(34)29-28(24-8-5-22(33)13-25(24)36-29)35-23-6-3-19(4-7-23)9-10-32-15-20(14-30)16-32/h3-8,11-13,20,33H,9-10,14-16H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



G1 Therapeutics, Inc.

US Patent


Assay Description
A screening strategy was implemented utilizing an In-Cell Western assay to measure their ability to degrade the estrogen receptor in vitro. MCF7 cell...


US Patent US10208011 (2019)


BindingDB Entry DOI: 10.7270/Q25141CC
More data for this
Ligand-Target Pair