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Patent code US10053461

Compile Data Set for Download or QSAR
Found 41 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
Large envelope protein


(Hepatitis B virus)
BDBM246818
PNG
(Cis-11-isobutoxy-10-methoxy-3,3-dimethyl-7-oxo-1,2...)
Show SMILES COc1cc-2c(cc1OCC(C)C)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C24H29NO5/c1-13(2)12-30-21-8-15-14-6-7-24(3,4)22(14)25-11-17(23(27)28)19(26)10-18(25)16(15)9-20(21)29-5/h8-11,13-14,22H,6-7,12H2,1-5H3,(H,27,28)/t14-,22+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246819
PNG
(Cis-11-(cyclopropylmethoxy)-10-methoxy-3,3-dimethy...)
Show SMILES COc1cc-2c(cc1OCC1CC1)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C24H27NO5/c1-24(2)7-6-14-15-8-21(30-12-13-4-5-13)20(29-3)9-16(15)18-10-19(26)17(23(27)28)11-25(18)22(14)24/h8-11,13-14,22H,4-7,12H2,1-3H3,(H,27,28)/t14-,22+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246831
PNG
(Cis-11-((6-hydroxyhexyl)oxy)-10-methoxy-3,3-dimeth...)
Show SMILES COc1cc-2c(cc1OCCCCCCO)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C26H33NO6/c1-26(2)9-8-16-17-12-23(33-11-7-5-4-6-10-28)22(32-3)13-18(17)20-14-21(29)19(25(30)31)15-27(20)24(16)26/h12-16,24,28H,4-11H2,1-3H3,(H,30,31)/t16-,24+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246811
PNG
(US10053461, 2 | cis-10-methoxy-11-(3-methoxypropox...)
Show SMILES COCCCOc1cc2[C@@H]3CCC(C)(C)[C@@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C24H29NO6/c1-24(2)7-6-14-15-10-21(31-9-5-8-29-3)20(30-4)11-16(15)18-12-19(26)17(23(27)28)13-25(18)22(14)24/h10-14,22H,5-9H2,1-4H3,(H,27,28)/t14-,22+/m0/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246850
PNG
(Cis-10-methoxy-3,3-dimethyl-7-oxo-11-(pyrrolidin-1...)
Show SMILES COc1cc-2c(cc1N1CCCC1)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C24H28N2O4/c1-24(2)7-6-14-15-10-19(25-8-4-5-9-25)21(30-3)11-16(15)18-12-20(27)17(23(28)29)13-26(18)22(14)24/h10-14,22H,4-9H2,1-3H3,(H,28,29)/t14-,22+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246835
PNG
(Cis-10-methoxy-3,3-dimethyl-11-((6-(methylsulfonam...)
Show SMILES COc1cc-2c(cc1OCCCCCCNS(C)(=O)=O)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C27H36N2O7S/c1-27(2)10-9-17-18-13-24(36-12-8-6-5-7-11-28-37(4,33)34)23(35-3)14-19(18)21-15-22(30)20(26(31)32)16-29(21)25(17)27/h13-17,25,28H,5-12H2,1-4H3,(H,31,32)/t17-,25+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246829
PNG
(Cis-10-methoxy-3,3-dimethyl-11-(3-(methylthio)prop...)
Show SMILES COc1cc-2c(cc1OCCCSC)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C24H29NO5S/c1-24(2)7-6-14-15-10-21(30-8-5-9-31-4)20(29-3)11-16(15)18-12-19(26)17(23(27)28)13-25(18)22(14)24/h10-14,22H,5-9H2,1-4H3,(H,27,28)/t14-,22+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246832
PNG
(Cis-11-((6-((tert-butoxycarbonyl)amino)hexyl)oxy)-...)
Show SMILES COc1cc-2c(cc1OCCCCCCNC(=O)OC(C)(C)C)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C31H42N2O7/c1-30(2,3)40-29(37)32-13-9-7-8-10-14-39-26-15-20-19-11-12-31(4,5)27(19)33-18-22(28(35)36)24(34)17-23(33)21(20)16-25(26)38-6/h15-19,27H,7-14H2,1-6H3,(H,32,37)(H,35,36)/t19-,27+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246823
PNG
(Cis-11-(3-hydroxy-2,2-dimethylpropoxy)-10-methoxy-...)
Show SMILES COc1cc-2c(cc1OCC(C)(C)CO)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C25H31NO6/c1-24(2,12-27)13-32-21-8-15-14-6-7-25(3,4)22(14)26-11-17(23(29)30)19(28)10-18(26)16(15)9-20(21)31-5/h8-11,14,22,27H,6-7,12-13H2,1-5H3,(H,29,30)/t14-,22+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246812
PNG
(Cis-11-(benzyloxy)-10-methoxy-3,3-dimethyl-7-oxo-1...)
Show SMILES COc1cc-2c(cc1OCc1ccccc1)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C27H27NO5/c1-27(2)10-9-17-18-11-24(33-15-16-7-5-4-6-8-16)23(32-3)12-19(18)21-13-22(29)20(26(30)31)14-28(21)25(17)27/h4-8,11-14,17,25H,9-10,15H2,1-3H3,(H,30,31)/t17-,25+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246837
PNG
(US10053461, 28 | cis-13-chloro-12-(3-methoxypropox...)
Show SMILES COCCCOc1cc2[C@H]3CCCCC[C@@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1Cl
Show InChI InChI=1S/C23H26ClNO5/c1-29-8-5-9-30-22-11-15-14-6-3-2-4-7-19(14)25-13-17(23(27)28)21(26)12-20(25)16(15)10-18(22)24/h10-14,19H,2-9H2,1H3,(H,27,28)/t14-,19+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246812
PNG
(Cis-11-(benzyloxy)-10-methoxy-3,3-dimethyl-7-oxo-1...)
Show SMILES COc1cc-2c(cc1OCc1ccccc1)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C27H27NO5/c1-27(2)10-9-17-18-11-24(33-15-16-7-5-4-6-8-16)23(32-3)12-19(18)21-13-22(29)20(26(30)31)14-28(21)25(17)27/h4-8,11-14,17,25H,9-10,15H2,1-3H3,(H,30,31)/t17-,25+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246817
PNG
(Cis-10-methoxy-3,3-dimethyl-7-oxo-11-(2,2,2-triflu...)
Show SMILES COc1cc-2c(cc1OCC(F)(F)F)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C22H22F3NO5/c1-21(2)5-4-11-12-6-18(31-10-22(23,24)25)17(30-3)7-13(12)15-8-16(27)14(20(28)29)9-26(15)19(11)21/h6-9,11,19H,4-5,10H2,1-3H3,(H,28,29)/t11-,19+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246820
PNG
(Cis-10-methoxy-11-(2-methoxyethoxy)-3,3-dimethyl-7...)
Show SMILES COCCOc1cc2[C@H]3CCC(C)(C)[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C23H27NO6/c1-23(2)6-5-13-14-9-20(30-8-7-28-3)19(29-4)10-15(14)17-11-18(25)16(22(26)27)12-24(17)21(13)23/h9-13,21H,5-8H2,1-4H3,(H,26,27)/t13-,21+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246821
PNG
(Cis-11-(3-cyanopropoxy)-10-methoxy-3,3-dimethyl-7-...)
Show SMILES COc1cc-2c(cc1OCCCC#N)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C24H26N2O5/c1-24(2)7-6-14-15-10-21(31-9-5-4-8-25)20(30-3)11-16(15)18-12-19(27)17(23(28)29)13-26(18)22(14)24/h10-14,22H,4-7,9H2,1-3H3,(H,28,29)/t14-,22+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246816
PNG
(Cis-10,11-dimethoxy-3,3-dimethyl-7-oxo-1,2,3,3a,7,...)
Show SMILES COc1cc2[C@H]3CCC(C)(C)[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C21H23NO5/c1-21(2)6-5-11-12-7-17(26-3)18(27-4)8-13(12)15-9-16(23)14(20(24)25)10-22(15)19(11)21/h7-11,19H,5-6H2,1-4H3,(H,24,25)/t11-,19+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246822
PNG
(Cis-11-(3-hydroxypropoxy)-10-methoxy-3,3-dimethyl-...)
Show SMILES COc1cc-2c(cc1OCCCO)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C23H27NO6/c1-23(2)6-5-13-14-9-20(30-8-4-7-25)19(29-3)10-15(14)17-11-18(26)16(22(27)28)12-24(17)21(13)23/h9-13,21,25H,4-8H2,1-3H3,(H,27,28)/t13-,21+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246834
PNG
(Cis-11-((6-acetamidohexyl)oxy)-10-methoxy-3,3-dime...)
Show SMILES COc1cc-2c(cc1OCCCCCCNC(C)=O)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C28H36N2O6/c1-17(31)29-11-7-5-6-8-12-36-25-13-19-18-9-10-28(2,3)26(18)30-16-21(27(33)34)23(32)15-22(30)20(19)14-24(25)35-4/h13-16,18,26H,5-12H2,1-4H3,(H,29,31)(H,33,34)/t18-,26+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246824
PNG
(Cis-10-methoxy-3,3-dimethyl-11-(3-morpholinopropox...)
Show SMILES COc1cc-2c(cc1OCCCN1CCOCC1)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C27H34N2O6/c1-27(2)6-5-17-18-13-24(35-10-4-7-28-8-11-34-12-9-28)23(33-3)14-19(18)21-15-22(30)20(26(31)32)16-29(21)25(17)27/h13-17,25H,4-12H2,1-3H3,(H,31,32)/t17-,25+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246810
PNG
(US10053461, 1 | trans-10-methoxy-11-(3-methoxyprop...)
Show SMILES COCCCOc1cc2[C@@H]3CCC(C)(C)[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C24H29NO6/c1-24(2)7-6-14-15-10-21(31-9-5-8-29-3)20(30-4)11-16(15)18-12-19(26)17(23(27)28)13-25(18)22(14)24/h10-14,22H,5-9H2,1-4H3,(H,27,28)/t14-,22-/m0/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246827
PNG
(Cis-11-(4-ethoxy-4-oxobutoxy)-10-methoxy-3,3-dimet...)
Show SMILES CCOC(=O)CCCOc1cc2[C@H]3CCC(C)(C)[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C26H31NO7/c1-5-33-23(29)7-6-10-34-22-11-16-15-8-9-26(2,3)24(15)27-14-18(25(30)31)20(28)13-19(27)17(16)12-21(22)32-4/h11-15,24H,5-10H2,1-4H3,(H,30,31)/t15-,24+/m1/s1
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Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246830
PNG
(Cis-10-methoxy-3,3-dimethyl-11-(3-(methylsulfonyl)...)
Show SMILES COc1cc-2c(cc1OCCCS(C)(=O)=O)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C24H29NO7S/c1-24(2)7-6-14-15-10-21(32-8-5-9-33(4,29)30)20(31-3)11-16(15)18-12-19(26)17(23(27)28)13-25(18)22(14)24/h10-14,22H,5-9H2,1-4H3,(H,27,28)/t14-,22+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246849
PNG
(Cis-10-methoxy-3,3-dimethyl-7-oxo-11-propyl-1,2,3,...)
Show SMILES CCCc1cc2[C@H]3CCC(C)(C)[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C23H27NO4/c1-5-6-13-9-15-14-7-8-23(2,3)21(14)24-12-17(22(26)27)19(25)11-18(24)16(15)10-20(13)28-4/h9-12,14,21H,5-8H2,1-4H3,(H,26,27)/t14-,21+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246848
PNG
(Cis-10-methoxy-3,3,11-trimethyl-7-oxo-1,2,3,3a,7,1...)
Show SMILES CCc1cc2[C@H]3CCC(C)(C)[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C22H25NO4/c1-5-12-8-14-13-6-7-22(2,3)20(13)23-11-16(21(25)26)18(24)10-17(23)15(14)9-19(12)27-4/h8-11,13,20H,5-7H2,1-4H3,(H,25,26)/t13-,20+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246836
PNG
(US10053461, 27 | trans-13-chloro-12-(3-methoxyprop...)
Show SMILES COCCCOc1cc2[C@@H]3CCCCC[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1Cl
Show InChI InChI=1S/C23H26ClNO5/c1-29-8-5-9-30-22-11-15-14-6-3-2-4-7-19(14)25-13-17(23(27)28)21(26)12-20(25)16(15)10-18(22)24/h10-14,19H,2-9H2,1H3,(H,27,28)/t14-,19+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246833
PNG
(Cis-11-((6-aminohexyl)oxy)-10-methoxy-3,3-dimethyl...)
Show SMILES COc1cc-2c(cc1OCCCCCCN)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C26H34N2O5/c1-26(2)9-8-16-17-12-23(33-11-7-5-4-6-10-27)22(32-3)13-18(17)20-14-21(29)19(25(30)31)15-28(20)24(16)26/h12-16,24H,4-11,27H2,1-3H3,(H,30,31)/t16-,24+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246826
PNG
(Cis-10-methoxy-3,3-dimethyl-7-oxo-11-(3-(2-oxopyrr...)
Show SMILES COc1cc-2c(cc1OCCCN1CCCC1=O)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C27H32N2O6/c1-27(2)8-7-16-17-12-23(35-11-5-10-28-9-4-6-24(28)31)22(34-3)13-18(17)20-14-21(30)19(26(32)33)15-29(20)25(16)27/h12-16,25H,4-11H2,1-3H3,(H,32,33)/t16-,25+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246845
PNG
(US10053461, 36 | cis-11-methoxy-12-(3-methoxypropo...)
Show SMILES COCCCOc1cc2[C@@H]3CSCC[C@@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C22H25NO6S/c1-27-5-3-6-29-21-8-13-14(9-20(21)28-2)18-10-19(24)15(22(25)26)11-23(18)17-4-7-30-12-16(13)17/h8-11,16-17H,3-7,12H2,1-2H3,(H,25,26)/t16-,17-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246847
PNG
(Cis-10-methoxy-3,3,11-trimethyl-7-oxo-1,2,3,3a,7,1...)
Show SMILES COc1cc-2c(cc1C)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C21H23NO4/c1-11-7-13-12-5-6-21(2,3)19(12)22-10-15(20(24)25)17(23)9-16(22)14(13)8-18(11)26-4/h7-10,12,19H,5-6H2,1-4H3,(H,24,25)/t12-,19+/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246841
PNG
(US10053461, 32 | cis-12-benzyloxy-11-methoxy-8-oxo...)
Show SMILES COc1cc-2c(cc1OCc1ccccc1)[C@@H]1CCCC[C@@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C26H25NO5/c1-31-24-12-19-18(11-25(24)32-15-16-7-3-2-4-8-16)17-9-5-6-10-21(17)27-14-20(26(29)30)23(28)13-22(19)27/h2-4,7-8,11-14,17,21H,5-6,9-10,15H2,1H3,(H,29,30)/t17-,21-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246815
PNG
(Cis-11-hydroxy-10-methoxy-3,3-dimethyl-7-oxo-1,2,3...)
Show SMILES COc1cc-2c(cc1O)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C20H21NO5/c1-20(2)5-4-10-11-6-16(23)17(26-3)7-12(11)14-8-15(22)13(19(24)25)9-21(14)18(10)20/h6-10,18,23H,4-5H2,1-3H3,(H,24,25)/t10-,18+/m1/s1
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n/an/a 84n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246844
PNG
(Trans-11-methoxy-12-(3-methoxypropoxy)-8-oxo-1,3,4...)
Show SMILES COCCCOc1cc2[C@H]3CSCC[C@@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C22H25NO6S/c1-27-5-3-6-29-21-8-13-14(9-20(21)28-2)18-10-19(24)15(22(25)26)11-23(18)17-4-7-30-12-16(13)17/h8-11,16-17H,3-7,12H2,1-2H3,(H,25,26)/t16-,17+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246840
PNG
(Trans-12-benzyloxy-11-methoxy-8-oxo-1,2,3,4,4a,13b...)
Show SMILES COc1cc-2c(cc1OCc1ccccc1)[C@@H]1CCCC[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C26H25NO5/c1-31-24-12-19-18(11-25(24)32-15-16-7-3-2-4-8-16)17-9-5-6-10-21(17)27-14-20(26(29)30)23(28)13-22(19)27/h2-4,7-8,11-14,17,21H,5-6,9-10,15H2,1H3,(H,29,30)/t17-,21+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246825
PNG
(Cis-10-methoxy-3,3-dimethyl-7-oxo-11-(3-(pyrrolidi...)
Show SMILES COc1cc-2c(cc1OCCCN1CCCC1)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C27H34N2O5/c1-27(2)8-7-17-18-13-24(34-12-6-11-28-9-4-5-10-28)23(33-3)14-19(18)21-15-22(30)20(26(31)32)16-29(21)25(17)27/h13-17,25H,4-12H2,1-3H3,(H,31,32)/t17-,25+/m1/s1
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n/an/a 128n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246838
PNG
(US10053461, 29 | trans-2-((benzyloxy)carbonyl)-11-...)
Show SMILES COCCCOc1cc2[C@@H]3CN(CC[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC)C(O)OCc1ccccc1
Show InChI InChI=1S/C30H34N2O8/c1-37-11-6-12-39-28-13-20-21(14-27(28)38-2)25-15-26(33)23(29(34)35)17-32(25)24-9-10-31(16-22(20)24)30(36)40-18-19-7-4-3-5-8-19/h3-5,7-8,13-15,17,22,24,30,36H,6,9-12,16,18H2,1-2H3,(H,34,35)/t22-,24+,30?/m0/s1
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n/an/a 152n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246843
PNG
(US10053461, 34 | cis-11-methoxy-12-(3-methoxypropo...)
Show SMILES COCCOCc1cc2[C@H]3COCC[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C22H25NO7/c1-27-5-6-30-11-13-7-14-15(8-21(13)28-2)19-9-20(24)16(22(25)26)10-23(19)18-3-4-29-12-17(14)18/h7-10,17-18H,3-6,11-12H2,1-2H3,(H,25,26)/t17-,18-/m1/s1
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n/an/a 186n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246842
PNG
(Trans-11-methoxy-12-(3-methoxypropoxy)-8-oxo-1,3,4...)
Show SMILES COCCOCc1cc2[C@@H]3COCC[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C22H25NO7/c1-27-5-6-30-11-13-7-14-15(8-21(13)28-2)19-9-20(24)16(22(25)26)10-23(19)18-3-4-29-12-17(14)18/h7-10,17-18H,3-6,11-12H2,1-2H3,(H,25,26)/t17-,18+/m0/s1
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n/an/a 265n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246814
PNG
((3aR,12bS)-11-(benzyloxy)-10-methoxy-3,3-dimethyl-...)
Show SMILES COc1cc-2c(cc1OCc1ccccc1)[C@@H]1CCC(C)(C)[C@@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C27H27NO5/c1-27(2)10-9-17-18-11-24(33-15-16-7-5-4-6-8-16)23(32-3)12-19(18)21-13-22(29)20(26(30)31)14-28(21)25(17)27/h4-8,11-14,17,25H,9-10,15H2,1-3H3,(H,30,31)/t17-,25+/m0/s1
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n/an/a 308n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246828
PNG
(Cis-11-(3-carboxypropoxy)-10-methoxy-3,3-dimethyl-...)
Show SMILES COc1cc-2c(cc1OCCCC(O)=O)[C@H]1CCC(C)(C)[C@H]1n1cc(C(O)=O)c(=O)cc-21
Show InChI InChI=1S/C24H27NO7/c1-24(2)7-6-13-14-9-20(32-8-4-5-21(27)28)19(31-3)10-15(14)17-11-18(26)16(23(29)30)12-25(17)22(13)24/h9-13,22H,4-8H2,1-3H3,(H,27,28)(H,29,30)/t13-,22+/m1/s1
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n/an/a 505n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246839
PNG
(US10053461, 30 | cis-2-((benzyloxy)carbonyl)-11-me...)
Show SMILES COCCCOc1cc2[C@H]3CN(CC[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC)C(O)OCc1ccccc1
Show InChI InChI=1S/C30H34N2O8/c1-37-11-6-12-39-28-13-20-21(14-27(28)38-2)25-15-26(33)23(29(34)35)17-32(25)24-9-10-31(16-22(20)24)30(36)40-18-19-7-4-3-5-8-19/h3-5,7-8,13-15,17,22,24,30,36H,6,9-12,16,18H2,1-2H3,(H,34,35)/t22-,24-,30?/m1/s1
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n/an/a 564n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


Citation and Details
More data for this
Ligand-Target Pair
Large envelope protein


(Hepatitis B virus)
BDBM246846
PNG
(Trans-11-methoxy-12-(3-methoxypropoxy)-8-oxo-1,3,4...)
Show SMILES COCCCOc1cc2[C@@H]3CS(=O)(=O)CC[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC
Show InChI InChI=1S/C22H25NO8S/c1-29-5-3-6-31-21-8-13-14(9-20(21)30-2)18-10-19(24)15(22(25)26)11-23(18)17-4-7-32(27,28)12-16(13)17/h8-11,16-17H,3-7,12H2,1-2H3,(H,25,26)/t16-,17+/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5104 cells/well. The cells were treated with a three-fold serial dilution ...


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