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BDBM263684 US9714221, Example 21

SMILES: Oc1ccc2c(CCCC(c3ccc4NCCc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1

InChI Key: InChIKey=BEMOLRLWONFMRO-NDEPHWFRSA-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 = 263684   
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))
BDBM263684
PNG
(US9714221, Example 21)
Show SMILES Oc1ccc2c(CCCC(c3ccc4NCCc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1
Show InChI InChI=1S/C32H35FN2O2/c33-15-2-17-35-18-14-28(21-35)37-27-9-5-22(6-10-27)32-29(24-7-12-31-25(19-24)13-16-34-31)4-1-3-23-20-26(36)8-11-30(23)32/h5-12,19-20,28,34,36H,1-4,13-18,21H2/t28-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/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))
BDBM263684
PNG
(US9714221, Example 21)
Show SMILES Oc1ccc2c(CCCC(c3ccc4NCCc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1
Show InChI InChI=1S/C32H35FN2O2/c33-15-2-17-35-18-14-28(21-35)37-27-9-5-22(6-10-27)32-29(24-7-12-31-25(19-24)13-16-34-31)4-1-3-23-20-26(36)8-11-30(23)32/h5-12,19-20,28,34,36H,1-4,13-18,21H2/t28-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 26n/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))
BDBM263684
PNG
(US9714221, Example 21)
Show SMILES Oc1ccc2c(CCCC(c3ccc4NCCc4c3)=C2c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c1
Show InChI InChI=1S/C32H35FN2O2/c33-15-2-17-35-18-14-28(21-35)37-27-9-5-22(6-10-27)32-29(24-7-12-31-25(19-24)13-16-34-31)4-1-3-23-20-26(36)8-11-30(23)32/h5-12,19-20,28,34,36H,1-4,13-18,21H2/t28-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/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