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BDBM263670 6-(3- chloro-2- methyl- phenyl)-5- [4-[(3S)-1- (3-fluoro- propyl)- pyrrolidin-3- yl]oxy- phenyl]-8,9- dihydro- 7H- benzo[7]- annulen-2-ol::US9714221, Example 7

SMILES: Cc1c(Cl)cccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1

InChI Key: InChIKey=PIPUDSMQZNGOAJ-SANMLTNESA-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 = 263670   
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))
BDBM263670
PNG
(6-(3- chloro-2- methyl- phenyl)-5- [4-[(3S)-1- (3-...)
Show SMILES Cc1c(Cl)cccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C31H33ClFNO2/c1-21-27(6-3-8-30(21)32)29-7-2-5-23-19-24(35)11-14-28(23)31(29)22-9-12-25(13-10-22)36-26-15-18-34(20-26)17-4-16-33/h3,6,8-14,19,26,35H,2,4-5,7,15-18,20H2,1H3/t26-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/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))
BDBM263670
PNG
(6-(3- chloro-2- methyl- phenyl)-5- [4-[(3S)-1- (3-...)
Show SMILES Cc1c(Cl)cccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C31H33ClFNO2/c1-21-27(6-3-8-30(21)32)29-7-2-5-23-19-24(35)11-14-28(23)31(29)22-9-12-25(13-10-22)36-26-15-18-34(20-26)17-4-16-33/h3,6,8-14,19,26,35H,2,4-5,7,15-18,20H2,1H3/t26-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 19n/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))
BDBM263670
PNG
(6-(3- chloro-2- methyl- phenyl)-5- [4-[(3S)-1- (3-...)
Show SMILES Cc1c(Cl)cccc1C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show InChI InChI=1S/C31H33ClFNO2/c1-21-27(6-3-8-30(21)32)29-7-2-5-23-19-24(35)11-14-28(23)31(29)22-9-12-25(13-10-22)36-26-15-18-34(20-26)17-4-16-33/h3,6,8-14,19,26,35H,2,4-5,7,15-18,20H2,1H3/t26-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 36n/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