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BDBM263740 6-(3-ethoxy- phenyl)-5-[4- [(3S)-1-(3- fluoropropyl)- pyrrolidin-3- yl]oxy- phenyl]-8,9- dihydro- 7H- benzo[7]- annulen-2-ol5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]oxy- phenyl]-6-[4- (trifluoro- methoxy)- phenyl]-8,9- dihydro- 7H- benzo[7]- annulen-2-ol5-[4-[(3S)- 1-(3- fluoropropyl)- pyrrolidin-3- yl]oxy- phenyl]-6-(4- methoxy- phenyl)-8,9- dihydro- 7H- benzo[7]- annulen-2-ol::US9714221, Example 74

SMILES: CCOc1cccc(c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1

InChI Key: InChIKey=ZOVVWRPCDDVIKC-LJAQVGFWSA-N

Data: 3 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 3 hits for monomerid = 263740   
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))
BDBM263740
PNG
(6-(3-ethoxy- phenyl)-5-[4- [(3S)-1-(3- fluoropropy...)
Show SMILES CCOc1cccc(c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C32H36FNO3/c1-2-36-28-8-3-6-25(21-28)30-9-4-7-24-20-26(35)12-15-31(24)32(30)23-10-13-27(14-11-23)37-29-16-19-34(22-29)18-5-17-33/h3,6,8,10-15,20-21,29,35H,2,4-5,7,9,16-19,22H2,1H3/t29-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/a7.425



SANOFI

US Patent


Assay Description
It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...


US Patent US9714221 (2017)

More data for this
Ligand-Target Pair
Estrogen receptor alpha Y537S


(Homo sapiens (Human))
BDBM263740
PNG
(6-(3-ethoxy- phenyl)-5-[4- [(3S)-1-(3- fluoropropy...)
Show SMILES CCOc1cccc(c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C32H36FNO3/c1-2-36-28-8-3-6-25(21-28)30-9-4-7-24-20-26(35)12-15-31(24)32(30)23-10-13-27(14-11-23)37-29-16-19-34(22-29)18-5-17-33/h3,6,8,10-15,20-21,29,35H,2,4-5,7,9,16-19,22H2,1H3/t29-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 26n/an/an/an/a7.425



SANOFI

US Patent


Assay Description
It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...


US Patent US9714221 (2017)

More data for this
Ligand-Target Pair
Estrogen receptor alpha D538G


(Homo sapiens (Human))
BDBM263740
PNG
(6-(3-ethoxy- phenyl)-5-[4- [(3S)-1-(3- fluoropropy...)
Show SMILES CCOc1cccc(c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C32H36FNO3/c1-2-36-28-8-3-6-25(21-28)30-9-4-7-24-20-26(35)12-15-31(24)32(30)23-10-13-27(14-11-23)37-29-16-19-34(22-29)18-5-17-33/h3,6,8,10-15,20-21,29,35H,2,4-5,7,9,16-19,22H2,1H3/t29-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 28n/an/an/an/a7.425



SANOFI

US Patent


Assay Description
It is a competition assay, where binding of a test compound to a complex comprised of (i) His6-ERα298-554 protein representing ERα ligand-b...


US Patent US9714221 (2017)

More data for this
Ligand-Target Pair