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BDBM263664 US9714221, Example 1

SMILES: Oc1ccc(cc1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2cc(O)ccc2CCC1

InChI Key: InChIKey=BOUYTPSKRGKAOB-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 = 263664   
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))
BDBM263664
PNG
(US9714221, Example 1)
Show SMILES Oc1ccc(cc1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2cc(O)ccc2CCC1
Show InChI InChI=1S/C30H32FNO3/c31-16-2-17-32-18-15-27(20-32)35-26-13-8-23(9-14-26)30-28(22-5-10-24(33)11-6-22)4-1-3-21-7-12-25(34)19-29(21)30/h5-14,19,27,33-34H,1-4,15-18,20H2/t27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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))
BDBM263664
PNG
(US9714221, Example 1)
Show SMILES Oc1ccc(cc1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2cc(O)ccc2CCC1
Show InChI InChI=1S/C30H32FNO3/c31-16-2-17-32-18-15-27(20-32)35-26-13-8-23(9-14-26)30-28(22-5-10-24(33)11-6-22)4-1-3-21-7-12-25(34)19-29(21)30/h5-14,19,27,33-34H,1-4,15-18,20H2/t27-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 22n/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))
BDBM263664
PNG
(US9714221, Example 1)
Show SMILES Oc1ccc(cc1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2cc(O)ccc2CCC1
Show InChI InChI=1S/C30H32FNO3/c31-16-2-17-32-18-15-27(20-32)35-26-13-8-23(9-14-26)30-28(22-5-10-24(33)11-6-22)4-1-3-21-7-12-25(34)19-29(21)30/h5-14,19,27,33-34H,1-4,15-18,20H2/t27-/m0/s1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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