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Patent code US9688816

Compile Data Set for Download or QSAR
Found 46 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))
BDBM235683
PNG
(Estradiol-17β (3) | US9688816, A)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CCC34)[C@@H]1CCC2O
Show InChI InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,10,13-17,19-20H,2,4-9H2,1H3/t13?,14-,15-,16+,17?,18+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM235683
PNG
(Estradiol-17β (3) | US9688816, A)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CCC34)[C@@H]1CCC2O
Show InChI InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,10,13-17,19-20H,2,4-9H2,1H3/t13?,14-,15-,16+,17?,18+/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM235683
PNG
(Estradiol-17β (3) | US9688816, A)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CCC34)[C@@H]1CCC2O
Show InChI InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,10,13-17,19-20H,2,4-9H2,1H3/t13?,14-,15-,16+,17?,18+/m1/s1
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM235683
PNG
(Estradiol-17β (3) | US9688816, A)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CCC34)[C@@H]1CCC2O
Show InChI InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,10,13-17,19-20H,2,4-9H2,1H3/t13?,14-,15-,16+,17?,18+/m1/s1
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM235683
PNG
(Estradiol-17β (3) | US9688816, A)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CCC34)[C@@H]1CCC2O
Show InChI InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,10,13-17,19-20H,2,4-9H2,1H3/t13?,14-,15-,16+,17?,18+/m1/s1
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM235683
PNG
(Estradiol-17β (3) | US9688816, A)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=CCC34)[C@@H]1CCC2O
Show InChI InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,10,13-17,19-20H,2,4-9H2,1H3/t13?,14-,15-,16+,17?,18+/m1/s1
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM176759
PNG
(CAS# 129188-99-4 | Hydro Isophorone Bisphenol | US...)
Show SMILES CC1CC(C)(C)CC(C1)(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C21H26O2/c1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h4-11,15,22-23H,12-14H2,1-3H3
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM29608
PNG
(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM29608
PNG
(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM176759
PNG
(CAS# 129188-99-4 | Hydro Isophorone Bisphenol | US...)
Show SMILES CC1CC(C)(C)CC(C1)(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C21H26O2/c1-15-12-20(2,3)14-21(13-15,16-4-8-18(22)9-5-16)17-6-10-19(23)11-7-17/h4-11,15,22-23H,12-14H2,1-3H3
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM176753
PNG
(CAS# 2362-14-3 | Dimethyl Cyclohexyl Bisphenol | U...)
Show SMILES Cc1cc(ccc1O)C1(CCCCC1)c1ccc(O)c(C)c1
Show InChI InChI=1S/C20H24O2/c1-14-12-16(6-8-18(14)21)20(10-4-3-5-11-20)17-7-9-19(22)15(2)13-17/h6-9,12-13,21-22H,3-5,10-11H2,1-2H3
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM176760
PNG
(Bisphenol M | CAS# 13595-25-0 | US9688816, K)
Show SMILES CC(C)(c1ccc(O)cc1)c1cccc(c1)C(C)(C)c1ccc(O)cc1
Show InChI InChI=1S/C24H26O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16,25-26H,1-4H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM29337
PNG
(US9688816, D | triphenylmethane derivative, 9)
Show SMILES CC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50121958
PNG
(4,4'-Biphenyldiol | 4,4'-Dihydroxybiphenyl | 4,4'-...)
Show SMILES Oc1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C12H10O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM176760
PNG
(Bisphenol M | CAS# 13595-25-0 | US9688816, K)
Show SMILES CC(C)(c1ccc(O)cc1)c1cccc(c1)C(C)(C)c1ccc(O)cc1
Show InChI InChI=1S/C24H26O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16,25-26H,1-4H3
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM176753
PNG
(CAS# 2362-14-3 | Dimethyl Cyclohexyl Bisphenol | U...)
Show SMILES Cc1cc(ccc1O)C1(CCCCC1)c1ccc(O)c(C)c1
Show InChI InChI=1S/C20H24O2/c1-14-12-16(6-8-18(14)21)20(10-4-3-5-11-20)17-7-9-19(22)15(2)13-17/h6-9,12-13,21-22H,3-5,10-11H2,1-2H3
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM176750
PNG
(CAS# 4754-63-6 | Dimethyl Acetophenone Bisphenol |...)
Show SMILES Cc1cc(ccc1O)C(C)(c1ccccc1)c1ccc(O)c(C)c1
Show InChI InChI=1S/C22H22O2/c1-15-13-18(9-11-20(15)23)22(3,17-7-5-4-6-8-17)19-10-12-21(24)16(2)14-19/h4-14,23-24H,1-3H3
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM50077844
PNG
(3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...)
Show SMILES Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM176750
PNG
(CAS# 4754-63-6 | Dimethyl Acetophenone Bisphenol |...)
Show SMILES Cc1cc(ccc1O)C(C)(c1ccccc1)c1ccc(O)c(C)c1
Show InChI InChI=1S/C22H22O2/c1-15-13-18(9-11-20(15)23)22(3,17-7-5-4-6-8-17)19-10-12-21(24)16(2)14-19/h4-14,23-24H,1-3H3
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM176758
PNG
(CAS# 88938-12-9 | Fluorenone Bis-o-Cresol | US9688...)
Show SMILES Cc1cc(ccc1O)C1(c2ccccc2-c2ccccc12)c1ccc(O)c(C)c1
Show InChI InChI=1S/C27H22O2/c1-17-15-19(11-13-25(17)28)27(20-12-14-26(29)18(2)16-20)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27/h3-16,28-29H,1-2H3
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM29609
PNG
(4-alpha-Cumylphenol | 4-cumylphenol | US9688816, B)
Show SMILES CC(C)(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM176752
PNG
(CAS# 7297-85-0 | Diphenolic Acid Methyl Ester | US...)
Show SMILES CC(CCC(O)=O)(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C17H18O4/c1-17(11-10-16(20)21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,18-19H,10-11H2,1H3,(H,20,21)
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM29337
PNG
(US9688816, D | triphenylmethane derivative, 9)
Show SMILES CC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3
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SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM76095
PNG
(4-(4-hydroxyphenoxy)phenol | 4-(4-oxidanylphenoxy)...)
Show SMILES Oc1ccc(Oc2ccc(O)cc2)cc1
Show InChI InChI=1S/C12H10O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H
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n/an/a 1.40E+4n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50077844
PNG
(3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one ...)
Show SMILES Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
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n/an/a 1.40E+4n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM176752
PNG
(CAS# 7297-85-0 | Diphenolic Acid Methyl Ester | US...)
Show SMILES CC(CCC(O)=O)(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C17H18O4/c1-17(11-10-16(20)21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13/h2-9,18-19H,10-11H2,1H3,(H,20,21)
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n/an/a 1.90E+4n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM176758
PNG
(CAS# 88938-12-9 | Fluorenone Bis-o-Cresol | US9688...)
Show SMILES Cc1cc(ccc1O)C1(c2ccccc2-c2ccccc12)c1ccc(O)c(C)c1
Show InChI InChI=1S/C27H22O2/c1-17-15-19(11-13-25(17)28)27(20-12-14-26(29)18(2)16-20)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27/h3-16,28-29H,1-2H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM25807
PNG
(4,4 -Dihydroxybenzophenone | 4-[(4-hydroxyphenyl)c...)
Show SMILES Oc1ccc(cc1)C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H
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n/an/a 3.10E+4n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM25807
PNG
(4,4 -Dihydroxybenzophenone | 4-[(4-hydroxyphenyl)c...)
Show SMILES Oc1ccc(cc1)C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H
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n/an/a 3.20E+4n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM76095
PNG
(4-(4-hydroxyphenoxy)phenol | 4-(4-oxidanylphenoxy)...)
Show SMILES Oc1ccc(Oc2ccc(O)cc2)cc1
Show InChI InChI=1S/C12H10O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H
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n/an/a 6.00E+4n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM29609
PNG
(4-alpha-Cumylphenol | 4-cumylphenol | US9688816, B)
Show SMILES CC(C)(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3
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n/an/a 1.40E+5n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM176764
PNG
(2,5-Di-tert-butylhydroquinone | CAS# 88-58-4 | US9...)
Show SMILES CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C
Show InChI InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM26189
PNG
(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Show SMILES Oc1cccc(O)c1
Show InChI InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
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n/an/a>2.50E+5n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM26189
PNG
(α-CA inhibitor, 13 | 1,3-Dihydroxybenzene, XI...)
Show SMILES Oc1cccc(O)c1
Show InChI InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
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n/an/a>2.50E+5n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM50121958
PNG
(4,4'-Biphenyldiol | 4,4'-Dihydroxybiphenyl | 4,4'-...)
Show SMILES Oc1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C12H10O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H
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n/an/a>2.50E+5n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM34126
PNG
(US9688816, 1 | bis(2,6-dimethylphenol), 2)
Show SMILES Cc1cc(cc(C)c1O)C(C)(C)c1cc(C)c(O)c(C)c1
Show InChI InChI=1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM176768
PNG
(CAS# 95-71-6 | Methyl Hydroquinone | US9688816, 8)
Show SMILES Cc1cc(O)ccc1O
Show InChI InChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM176762
PNG
(CAS# 1568-80-5 | Spiro Biindane Bisphenol | US9688...)
Show SMILES CC1(C)CC2(CC(C)(C)C3C=CC(O)=CC23)C2C=C(O)C=CC12
Show InChI InChI=1S/C21H28O2/c1-19(2)11-21(17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)21/h5-10,15-18,22-23H,11-12H2,1-4H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM34126
PNG
(US9688816, 1 | bis(2,6-dimethylphenol), 2)
Show SMILES Cc1cc(cc(C)c1O)C(C)(C)c1cc(C)c(O)c(C)c1
Show InChI InChI=1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM176756
PNG
(CAS# 6607-41-6 | N-Phenyl Phenolphthalein Bispheno...)
Show SMILES Oc1ccc(cc1)C1(N(C(=O)c2ccccc12)c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C26H19NO3/c28-21-14-10-18(11-15-21)26(19-12-16-22(29)17-13-19)24-9-5-4-8-23(24)25(30)27(26)20-6-2-1-3-7-20/h1-17,28-29H
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n/an/a>2.50E+5n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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n/an/a>2.50E+5n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM176756
PNG
(CAS# 6607-41-6 | N-Phenyl Phenolphthalein Bispheno...)
Show SMILES Oc1ccc(cc1)C1(N(C(=O)c2ccccc12)c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C26H19NO3/c28-21-14-10-18(11-15-21)26(19-12-16-22(29)17-13-19)24-9-5-4-8-23(24)25(30)27(26)20-6-2-1-3-7-20/h1-17,28-29H
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n/an/a>2.50E+5n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM176762
PNG
(CAS# 1568-80-5 | Spiro Biindane Bisphenol | US9688...)
Show SMILES CC1(C)CC2(CC(C)(C)C3C=CC(O)=CC23)C2C=C(O)C=CC12
Show InChI InChI=1S/C21H28O2/c1-19(2)11-21(17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)21/h5-10,15-18,22-23H,11-12H2,1-4H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM176768
PNG
(CAS# 95-71-6 | Methyl Hydroquinone | US9688816, 8)
Show SMILES Cc1cc(O)ccc1O
Show InChI InChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM176764
PNG
(2,5-Di-tert-butylhydroquinone | CAS# 88-58-4 | US9...)
Show SMILES CC(C)(C)c1cc(O)c(cc1O)C(C)(C)C
Show InChI InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3
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n/an/a>2.50E+5n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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n/an/a>2.50E+5n/an/an/an/an/an/a



SABIC GLOBAL TECHNOLOGIES B.V.

US Patent


Assay Description
Competitive binding assays were performed by incubating rhER alpha (α) and beta 1 (β1) receptors with 10 nM [3H]estradiol (the radio ligand...


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