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BDBM263690 6-(4- ethoxy-2- methyl- phenyl)-5- [4-[(3S)-1- (3- fluoropropyl)- pyrrolidin-3- yl]oxy phenyl]-8,9- dihydro- 7H- benzo[7]- annulen-2-ol::US9714221, Example 27

SMILES: CCOc1ccc(c(C)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1

InChI Key: InChIKey=USUBOVRSGQTBDN-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 = 263690   
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))
BDBM263690
PNG
(6-(4- ethoxy-2- methyl- phenyl)-5- [4-[(3S)-1- (3-...)
Show SMILES CCOc1ccc(c(C)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C33H38FNO3/c1-3-37-28-13-15-30(23(2)20-28)32-7-4-6-25-21-26(36)10-14-31(25)33(32)24-8-11-27(12-9-24)38-29-16-19-35(22-29)18-5-17-34/h8-15,20-21,29,36H,3-7,16-19,22H2,1-2H3/t29-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3n/an/an/an/an/an/a



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))
BDBM263690
PNG
(6-(4- ethoxy-2- methyl- phenyl)-5- [4-[(3S)-1- (3-...)
Show SMILES CCOc1ccc(c(C)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C33H38FNO3/c1-3-37-28-13-15-30(23(2)20-28)32-7-4-6-25-21-26(36)10-14-31(25)33(32)24-8-11-27(12-9-24)38-29-16-19-35(22-29)18-5-17-34/h8-15,20-21,29,36H,3-7,16-19,22H2,1-2H3/t29-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6n/an/an/an/an/an/a



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))
BDBM263690
PNG
(6-(4- ethoxy-2- methyl- phenyl)-5- [4-[(3S)-1- (3-...)
Show SMILES CCOc1ccc(c(C)c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C33H38FNO3/c1-3-37-28-13-15-30(23(2)20-28)32-7-4-6-25-21-26(36)10-14-31(25)33(32)24-8-11-27(12-9-24)38-29-16-19-35(22-29)18-5-17-34/h8-15,20-21,29,36H,3-7,16-19,22H2,1-2H3/t29-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 10n/an/an/an/an/an/a



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