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BDBM263665 5-[4-[(3S)- 1-(3- fluoro- propyl)pyrrolidin- 3-yl]oxyphenyl]- 6-(3-hydroxy- phenyl)-8,9- dihydro- 7H- benzo[7]- annulen-3-ol5-[4-[(3S)- 1-(3- fluoro- propyl)pyrrolidin- 3-yl]oxyphenyl]- 6-(1H-indol-5-yl)- 8,9-dihydro- 7H- benzo[7]- annulen-3-ol6-(2- chloro-4- fluoro- phenyl)-5- [4-[(3S)-1- (3-fluoro- propyl)- pyrrolidin-3- yl]oxy- phenyl]-8,9- dihydro- 7H- benzo[7]- annulen-3-ol::US9714221, Example 2

SMILES: Oc1cccc(c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2cc(O)ccc2CCC1

InChI Key: InChIKey=WMIPDNARVJCBHO-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 = 263665   
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))
BDBM263665
PNG
(5-[4-[(3S)- 1-(3- fluoro- propyl)pyrrolidin- 3-yl]...)
Show SMILES Oc1cccc(c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2cc(O)ccc2CCC1
Show InChI InChI=1S/C30H32FNO3/c31-15-3-16-32-17-14-27(20-32)35-26-12-9-22(10-13-26)30-28(23-5-1-6-24(33)18-23)7-2-4-21-8-11-25(34)19-29(21)30/h1,5-6,8-13,18-19,27,33-34H,2-4,7,14-17,20H2/t27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5n/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))
BDBM263665
PNG
(5-[4-[(3S)- 1-(3- fluoro- propyl)pyrrolidin- 3-yl]...)
Show SMILES Oc1cccc(c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2cc(O)ccc2CCC1
Show InChI InChI=1S/C30H32FNO3/c31-15-3-16-32-17-14-27(20-32)35-26-12-9-22(10-13-26)30-28(23-5-1-6-24(33)18-23)7-2-4-21-8-11-25(34)19-29(21)30/h1,5-6,8-13,18-19,27,33-34H,2-4,7,14-17,20H2/t27-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 22n/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))
BDBM263665
PNG
(5-[4-[(3S)- 1-(3- fluoro- propyl)pyrrolidin- 3-yl]...)
Show SMILES Oc1cccc(c1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2cc(O)ccc2CCC1
Show InChI InChI=1S/C30H32FNO3/c31-15-3-16-32-17-14-27(20-32)35-26-12-9-22(10-13-26)30-28(23-5-1-6-24(33)18-23)7-2-4-21-8-11-25(34)19-29(21)30/h1,5-6,8-13,18-19,27,33-34H,2-4,7,14-17,20H2/t27-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 30n/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