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SMILES: Oc1ccc2c3[C@@H](Oc4c(cccc4C(F)(F)F)-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1

InChI Key: InChIKey=BGOOMSGEXIBXHQ-MHZLTWQESA-N

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 4 hits for monomerid = 443434   
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))
BDBM443434
PNG
(US10654866, Example 2B | US11117902, Example 2A)
Show SMILES Oc1ccc2c3[C@@H](Oc4c(cccc4C(F)(F)F)-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Show InChI InChI=1S/C29H24F4N2O3/c30-13-17-15-35(16-17)10-11-37-20-7-4-18(5-8-20)27-26-22-9-6-19(36)12-25(22)34-14-23(26)21-2-1-3-24(28(21)38-27)29(31,32)33/h1-9,12,14,17,27,36H,10-11,13,15-16H2/t27-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
0.650n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor [Y537S]


(Homo sapiens (Human))
BDBM443434
PNG
(US10654866, Example 2B | US11117902, Example 2A)
Show SMILES Oc1ccc2c3[C@@H](Oc4c(cccc4C(F)(F)F)-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Show InChI InChI=1S/C29H24F4N2O3/c30-13-17-15-35(16-17)10-11-37-20-7-4-18(5-8-20)27-26-22-9-6-19(36)12-25(22)34-14-23(26)21-2-1-3-24(28(21)38-27)29(31,32)33/h1-9,12,14,17,27,36H,10-11,13,15-16H2/t27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
7.92n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM443434
PNG
(US10654866, Example 2B | US11117902, Example 2A)
Show SMILES Oc1ccc2c3[C@@H](Oc4c(cccc4C(F)(F)F)-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Show InChI InChI=1S/C29H24F4N2O3/c30-13-17-15-35(16-17)10-11-37-20-7-4-18(5-8-20)27-26-22-9-6-19(36)12-25(22)34-14-23(26)21-2-1-3-24(28(21)38-27)29(31,32)33/h1-9,12,14,17,27,36H,10-11,13,15-16H2/t27-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
60.4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Run the competition binding assay in a buffer containing 50 mM HEPES, pH 7.5, 1.5 mM EDTA, 150 mM NaCl, 10% glycerol, 1 mg/mL ovalbumin, and 5 mM DTT...


US Patent US10654866 (2020)

More data for this
Ligand-Target Pair
Estrogen receptor [Y537S]


(Homo sapiens (Human))
BDBM443434
PNG
(US10654866, Example 2B | US11117902, Example 2A)
Show SMILES Oc1ccc2c3[C@@H](Oc4c(cccc4C(F)(F)F)-c3cnc2c1)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Show InChI InChI=1S/C29H24F4N2O3/c30-13-17-15-35(16-17)10-11-37-20-7-4-18(5-8-20)27-26-22-9-6-19(36)12-25(22)34-14-23(26)21-2-1-3-24(28(21)38-27)29(31,32)33/h1-9,12,14,17,27,36H,10-11,13,15-16H2/t27-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
294n/an/an/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
Run the competition binding assay in a buffer containing 50 mM HEPES, pH 7.5, 1.5 mM EDTA, 150 mM NaCl, 10% glycerol, 1 mg/mL ovalbumin, and 5 mM DTT...


US Patent US10654866 (2020)

More data for this
Ligand-Target Pair