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BDBM263695 6-(4- chloro-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 32

SMILES: Cc1cc(Cl)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1

InChI Key: InChIKey=BSZSJGOTXDHKAY-MHZLTWQESA-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 = 263695   
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))
BDBM263695
PNG
(6-(4- chloro-2- methyl- phenyl)-5- [4-[(3S)-1- (3-...)
Show SMILES Cc1cc(Cl)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C31H33ClFNO2/c1-21-18-24(32)8-12-28(21)30-5-2-4-23-19-25(35)9-13-29(23)31(30)22-6-10-26(11-7-22)36-27-14-17-34(20-27)16-3-15-33/h6-13,18-19,27,35H,2-5,14-17,20H2,1H3/t27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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))
BDBM263695
PNG
(6-(4- chloro-2- methyl- phenyl)-5- [4-[(3S)-1- (3-...)
Show SMILES Cc1cc(Cl)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C31H33ClFNO2/c1-21-18-24(32)8-12-28(21)30-5-2-4-23-19-25(35)9-13-29(23)31(30)22-6-10-26(11-7-22)36-27-14-17-34(20-27)16-3-15-33/h6-13,18-19,27,35H,2-5,14-17,20H2,1H3/t27-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 24n/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))
BDBM263695
PNG
(6-(4- chloro-2- methyl- phenyl)-5- [4-[(3S)-1- (3-...)
Show SMILES Cc1cc(Cl)ccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C31H33ClFNO2/c1-21-18-24(32)8-12-28(21)30-5-2-4-23-19-25(35)9-13-29(23)31(30)22-6-10-26(11-7-22)36-27-14-17-34(20-27)16-3-15-33/h6-13,18-19,27,35H,2-5,14-17,20H2,1H3/t27-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 32n/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