BindingDB logo
myBDB logout

Patent code US10130617

Compile Data Set for Download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))
BDBM50125052
PNG
(CHEMBL3623004 | US10130617, Example 1)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
n/an/a 140n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10130617 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM292004
PNG
((E)-3-(3,5-difluoro-4-(2-((S)-3-fluoro-2-methylpro...)
Show SMILES C[C@H](CF)CN1C(c2[nH]c3ccccc3c2CC1(C)C)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C26H27F3N2O2/c1-15(13-27)14-31-25(23-19(28)10-16(11-20(23)29)8-9-22(32)33)24-18(12-26(31,2)3)17-6-4-5-7-21(17)30-24/h4-11,15,25,30H,12-14H2,1-3H3,(H,32,33)/b9-8+/t15-,25?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10130617 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM289785
PNG
((E)-3-(3,5-Difluoro-4-((1R,3R)-2-((S)-3-fluoro-2-m...)
Show SMILES C[C@H](CF)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C25H25F3N2O2/c1-14(12-26)13-30-15(2)9-18-17-5-3-4-6-21(17)29-24(18)25(30)23-19(27)10-16(11-20(23)28)7-8-22(31)32/h3-8,10-11,14-15,25,29H,9,12-13H2,1-2H3,(H,31,32)/b8-7+/t14-,15-,25-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 400n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10130617 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM292005
PNG
((E)-3-(3,5-difluoro-4-(2-(2-fluoro-2-methylpropyl)...)
Show SMILES CC(C)(F)CN1C(c2[nH]c3ccccc3c2CC1(C)C)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C26H27F3N2O2/c1-25(2,29)14-31-24(22-18(27)11-15(12-19(22)28)9-10-21(32)33)23-17(13-26(31,3)4)16-7-5-6-8-20(16)30-23/h5-12,24,30H,13-14H2,1-4H3,(H,32,33)/b10-9+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 440n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10130617 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM292004
PNG
((E)-3-(3,5-difluoro-4-(2-((S)-3-fluoro-2-methylpro...)
Show SMILES C[C@H](CF)CN1C(c2[nH]c3ccccc3c2CC1(C)C)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C26H27F3N2O2/c1-15(13-27)14-31-25(23-19(28)10-16(11-20(23)29)8-9-22(32)33)24-18(12-26(31,2)3)17-6-4-5-7-21(17)30-24/h4-11,15,25,30H,12-14H2,1-3H3,(H,32,33)/b9-8+/t15-,25?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 570n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10130617 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50125052
PNG
(CHEMBL3623004 | US10130617, Example 1)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
n/an/a<640n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10130617 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50125054
PNG
(CHEMBL3623003 | US10130617, Example 2)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C25H27FN2O2/c1-16-14-20-19-6-4-5-7-21(19)27-23(20)24(28(16)15-25(2,3)26)18-11-8-17(9-12-18)10-13-22(29)30/h4-13,16,24,27H,14-15H2,1-3H3,(H,29,30)/b13-10+/t16-,24-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 850n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10130617 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM292003
PNG
((E)-3-(4-((1R,3R)-2-((S)-3-fluoro-2-methylpropyl)-...)
Show SMILES C[C@H](CF)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C25H27FN2O2/c1-16(14-26)15-28-17(2)13-21-20-5-3-4-6-22(20)27-24(21)25(28)19-10-7-18(8-11-19)9-12-23(29)30/h3-12,16-17,25,27H,13-15H2,1-2H3,(H,29,30)/b12-9+/t16-,17-,25-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 990n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10130617 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM289785
PNG
((E)-3-(3,5-Difluoro-4-((1R,3R)-2-((S)-3-fluoro-2-m...)
Show SMILES C[C@H](CF)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C25H25F3N2O2/c1-14(12-26)13-30-15(2)9-18-17-5-3-4-6-21(17)29-24(18)25(30)23-19(27)10-16(11-20(23)28)7-8-22(31)32/h3-8,10-11,14-15,25,29H,9,12-13H2,1-2H3,(H,31,32)/b8-7+/t14-,15-,25-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10130617 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50125054
PNG
(CHEMBL3623003 | US10130617, Example 2)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C25H27FN2O2/c1-16-14-20-19-6-4-5-7-21(19)27-23(20)24(28(16)15-25(2,3)26)18-11-8-17(9-12-18)10-13-22(29)30/h4-13,16,24,27H,14-15H2,1-3H3,(H,29,30)/b13-10+/t16-,24-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10130617 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299742
PNG
((E)-3-(3-fluoro-4-(2-((S)-3-fluoro-2-methylpropyl)...)
Show SMILES C[C@H](CF)CN1C(c2[nH]c3ccccc3c2CC1(C)C)c1ccc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C26H28F2N2O2/c1-16(14-27)15-30-25(19-10-8-17(12-21(19)28)9-11-23(31)32)24-20(13-26(30,2)3)18-6-4-5-7-22(18)29-24/h4-12,16,25,29H,13-15H2,1-3H3,(H,31,32)/b11-9+/t16-,25?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.20E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10130617 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM292005
PNG
((E)-3-(3,5-difluoro-4-(2-(2-fluoro-2-methylpropyl)...)
Show SMILES CC(C)(F)CN1C(c2[nH]c3ccccc3c2CC1(C)C)c1c(F)cc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C26H27F3N2O2/c1-25(2,29)14-31-24(22-18(27)11-15(12-19(22)28)9-10-21(32)33)23-17(13-26(31,3)4)16-7-5-6-8-20(16)30-23/h5-12,24,30H,13-14H2,1-4H3,(H,32,33)/b10-9+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.30E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10130617 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM299742
PNG
((E)-3-(3-fluoro-4-(2-((S)-3-fluoro-2-methylpropyl)...)
Show SMILES C[C@H](CF)CN1C(c2[nH]c3ccccc3c2CC1(C)C)c1ccc(\C=C\C(O)=O)cc1F
Show InChI InChI=1S/C26H28F2N2O2/c1-16(14-27)15-30-25(19-10-8-17(12-21(19)28)9-11-23(31)32)24-20(13-26(30,2)3)18-6-4-5-7-22(18)29-24/h4-12,16,25,29H,13-15H2,1-3H3,(H,31,32)/b11-9+/t16-,25?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.50E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10130617 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM292003
PNG
((E)-3-(4-((1R,3R)-2-((S)-3-fluoro-2-methylpropyl)-...)
Show SMILES C[C@H](CF)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C25H27FN2O2/c1-16(14-26)15-28-17(2)13-21-20-5-3-4-6-22(20)27-24(21)25(28)19-10-7-18(8-11-19)9-12-23(29)30/h3-12,16-17,25,27H,13-15H2,1-2H3,(H,29,30)/b12-9+/t16-,17-,25-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10130617 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM298313
PNG
((E)-3-(4-(2-((S)-3-fluoro-2-methylpropyl)-3,3-dime...)
Show SMILES C[C@H](CF)CN1C(c2[nH]c3ccccc3c2CC1(C)C)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C26H29FN2O2/c1-17(15-27)16-29-25(19-11-8-18(9-12-19)10-13-23(30)31)24-21(14-26(29,2)3)20-6-4-5-7-22(20)28-24/h4-13,17,25,28H,14-16H2,1-3H3,(H,30,31)/b13-10+/t17-,25?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10130617 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM298314
PNG
((E)-3-(4-(2-(2-fluoro-2-methylpropyl)-3,3-dimethyl...)
Show SMILES CC(C)(F)CN1C(c2[nH]c3ccccc3c2CC1(C)C)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C26H29FN2O2/c1-25(2,27)16-29-24(18-12-9-17(10-13-18)11-14-22(30)31)23-20(15-26(29,3)4)19-7-5-6-8-21(19)28-23/h5-14,24,28H,15-16H2,1-4H3,(H,30,31)/b14-11+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10130617 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM298314
PNG
((E)-3-(4-(2-(2-fluoro-2-methylpropyl)-3,3-dimethyl...)
Show SMILES CC(C)(F)CN1C(c2[nH]c3ccccc3c2CC1(C)C)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C26H29FN2O2/c1-25(2,27)16-29-24(18-12-9-17(10-13-18)11-14-22(30)31)23-20(15-26(29,3)4)19-7-5-6-8-21(19)28-23/h5-14,24,28H,15-16H2,1-4H3,(H,30,31)/b14-11+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to down-regulate Estrogen Receptor (ER) numbers was assessed in a cell based immuno-fluorescence assay using the MCF-7 human...


US Patent US10130617 (2018)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM298313
PNG
((E)-3-(4-(2-((S)-3-fluoro-2-methylpropyl)-3,3-dime...)
Show SMILES C[C@H](CF)CN1C(c2[nH]c3ccccc3c2CC1(C)C)c1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C26H29FN2O2/c1-17(15-27)16-29-25(19-11-8-18(9-12-19)10-13-23(30)31)24-21(14-26(29,2)3)20-6-4-5-7-22(20)28-24/h4-13,17,25,28H,14-16H2,1-3H3,(H,30,31)/b13-10+/t17-,25?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.00E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The ability of compounds to bind to isolated Estrogen Receptor Alpha Ligand binding domain (ER alpha LBD (GST)) was assessed in competition assays us...


US Patent US10130617 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%