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BDBM263801 6-(2,2- difluoro- 1,3- benzo- dioxol-5-yl)-5- [4-[(3S)-1- (3- fluoropropyl)- pyrrolidin-3- yl]oxy- phenyl]- 8,9- dihydro- 7H- benzo[7]- annulen-2-ol::US9714221, Example 134

SMILES: Oc1ccc2c(CCCC(c3ccc4OC(F)(F)Oc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1

InChI Key: InChIKey=XLGXLDLBOICQPN-VWLOTQADSA-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 = 263801   
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))
BDBM263801
PNG
(6-(2,2- difluoro- 1,3- benzo- dioxol-5-yl)-5- [4-[...)
Show SMILES Oc1ccc2c(CCCC(c3ccc4OC(F)(F)Oc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1
Show InChI InChI=1S/C31H30F3NO4/c32-14-2-15-35-16-13-25(19-35)37-24-9-5-20(6-10-24)30-26(4-1-3-21-17-23(36)8-11-27(21)30)22-7-12-28-29(18-22)39-31(33,34)38-28/h5-12,17-18,25,36H,1-4,13-16,19H2/t25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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))
BDBM263801
PNG
(6-(2,2- difluoro- 1,3- benzo- dioxol-5-yl)-5- [4-[...)
Show SMILES Oc1ccc2c(CCCC(c3ccc4OC(F)(F)Oc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1
Show InChI InChI=1S/C31H30F3NO4/c32-14-2-15-35-16-13-25(19-35)37-24-9-5-20(6-10-24)30-26(4-1-3-21-17-23(36)8-11-27(21)30)22-7-12-28-29(18-22)39-31(33,34)38-28/h5-12,17-18,25,36H,1-4,13-16,19H2/t25-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
Estrogen receptor alpha D538G


(Homo sapiens (human))
BDBM263801
PNG
(6-(2,2- difluoro- 1,3- benzo- dioxol-5-yl)-5- [4-[...)
Show SMILES Oc1ccc2c(CCCC(c3ccc4OC(F)(F)Oc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1
Show InChI InChI=1S/C31H30F3NO4/c32-14-2-15-35-16-13-25(19-35)37-24-9-5-20(6-10-24)30-26(4-1-3-21-17-23(36)8-11-27(21)30)22-7-12-28-29(18-22)39-31(33,34)38-28/h5-12,17-18,25,36H,1-4,13-16,19H2/t25-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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