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Compile Data Set for Download or QSAR

Found 151 hits with Last Name = 'sethna' and Initial = 'pb'   
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
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50269061
PNG
((1R)-6-Bromo-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrah...)
Show SMILES C[C@@H](N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1 |r|
Show InChI InChI=1S/C20H21BrN2/c1-13(14-6-3-2-4-7-14)22-19-9-5-8-16-17-12-15(21)10-11-18(17)23-20(16)19/h2-4,6-7,10-13,19,22-23H,5,8-9H2,1H3/t13-,19-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 19: 4110-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.001
BindingDB Entry DOI: 10.7270/Q27944RX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50269061
PNG
((1R)-6-Bromo-N-[(1R)-1-phenylethyl]-2,3,4,9-tetrah...)
Show SMILES C[C@@H](N[C@@H]1CCCc2c1[nH]c1ccc(Br)cc21)c1ccccc1 |r|
Show InChI InChI=1S/C20H21BrN2/c1-13(14-6-3-2-4-7-14)22-19-9-5-8-16-17-12-15(21)10-11-18(17)23-20(16)19/h2-4,6-7,10-13,19,22-23H,5,8-9H2,1H3/t13-,19-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 4110-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.001
BindingDB Entry DOI: 10.7270/Q27944RX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50295256
PNG
((R)-N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-y...)
Show SMILES Fc1ccccc1C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H16ClFN2O/c20-11-8-9-16-14(10-11)12-5-3-7-17(18(12)22-16)23-19(24)13-4-1-2-6-15(13)21/h1-2,4,6,8-10,17,22H,3,5,7H2,(H,23,24)/t17-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 4110-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.001
BindingDB Entry DOI: 10.7270/Q27944RX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50295257
PNG
((R)-N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-y...)
Show SMILES Clc1ccc2[nH]c3[C@@H](CCCc3c2c1)NC(=O)c1ccccn1 |r|
Show InChI InChI=1S/C18H16ClN3O/c19-11-7-8-14-13(10-11)12-4-3-6-15(17(12)21-14)22-18(23)16-5-1-2-9-20-16/h1-2,5,7-10,15,21H,3-4,6H2,(H,22,23)/t15-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 4110-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.001
BindingDB Entry DOI: 10.7270/Q27944RX
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50295256
PNG
((R)-N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-y...)
Show SMILES Fc1ccccc1C(=O)N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C19H16ClFN2O/c20-11-8-9-16-14(10-11)12-5-3-7-17(18(12)22-16)23-19(24)13-4-1-2-6-15(13)21/h1-2,4,6,8-10,17,22H,3,5,7H2,(H,23,24)/t17-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 19: 4110-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.001
BindingDB Entry DOI: 10.7270/Q27944RX
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50295257
PNG
((R)-N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-y...)
Show SMILES Clc1ccc2[nH]c3[C@@H](CCCc3c2c1)NC(=O)c1ccccn1 |r|
Show InChI InChI=1S/C18H16ClN3O/c19-11-7-8-14-13(10-11)12-4-3-6-15(17(12)21-14)22-18(23)16-5-1-2-9-20-16/h1-2,5,7-10,15,21H,3-4,6H2,(H,22,23)/t15-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 19: 4110-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.001
BindingDB Entry DOI: 10.7270/Q27944RX
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50295255
PNG
(6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-...)
Show SMILES Brc1ccc2[nH]c3C(CCCc3c2c1)Nc1ccccc1
Show InChI InChI=1S/C18H17BrN2/c19-12-9-10-16-15(11-12)14-7-4-8-17(18(14)21-16)20-13-5-2-1-3-6-13/h1-3,5-6,9-11,17,20-21H,4,7-8H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 19: 4110-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.001
BindingDB Entry DOI: 10.7270/Q27944RX
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50295255
PNG
(6-bromo-N-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-...)
Show SMILES Brc1ccc2[nH]c3C(CCCc3c2c1)Nc1ccccc1
Show InChI InChI=1S/C18H17BrN2/c19-12-9-10-16-15(11-12)14-7-4-8-17(18(14)21-16)20-13-5-2-1-3-6-13/h1-3,5-6,9-11,17,20-21H,4,7-8H2
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n/an/a 3.20E+4n/an/an/an/an/an/a



GlaxoSmithKline Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 19: 4110-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.001
BindingDB Entry DOI: 10.7270/Q27944RX
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263072
PNG
(US9708359, 1 | US9708359, 122 | US9708359, 38 | US...)
Show SMILES Cc1nc(N)c2c(cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)C(N)=O |r|
Show InChI InChI=1S/C13H17N5O5/c1-4-16-10(14)7-5(11(15)22)2-18(12(7)17-4)13-9(21)8(20)6(3-19)23-13/h2,6,8-9,13,19-21H,3H2,1H3,(H2,15,22)(H2,14,16,17)/t6-,8-,9-,13-/m1/s1
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n/an/an/an/a 2.65E+3n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263073
PNG
(US9708359, 2)
Show SMILES CC(C)[C@H](N)C(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(N)=O)c2c(N)nc(C)nc12 |r|
Show InChI InChI=1S/C18H26N6O6/c1-6(2)11(19)18(28)29-5-9-12(25)13(26)17(30-9)24-4-8(15(21)27)10-14(20)22-7(3)23-16(10)24/h4,6,9,11-13,17,25-26H,5,19H2,1-3H3,(H2,21,27)(H2,20,22,23)/t9-,11+,12-,13-,17-/m1/s1
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n/an/an/an/a 3.03E+3n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263074
PNG
(US9708359, 3)
Show SMILES C[C@H](N)C(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(N)=O)c2c(N)nc(C)nc12 |r|
Show InChI InChI=1S/C16H22N6O6/c1-5(17)16(26)27-4-8-10(23)11(24)15(28-8)22-3-7(13(19)25)9-12(18)20-6(2)21-14(9)22/h3,5,8,10-11,15,23-24H,4,17H2,1-2H3,(H2,19,25)(H2,18,20,21)/t5-,8+,10+,11+,15+/m0/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263075
PNG
(US9708359, 4)
Show SMILES CCCCCCCCCCCCCCCCOCCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(N)=O)c2c(N)nc(C)nc12 |r|
Show InChI InChI=1S/C32H53N5O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-42-19-17-25(38)43-21-24-27(39)28(40)32(44-24)37-20-23(30(34)41)26-29(33)35-22(2)36-31(26)37/h20,24,27-28,32,39-40H,3-19,21H2,1-2H3,(H2,34,41)(H2,33,35,36)/t24-,27-,28-,32-/m1/s1
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n/an/an/an/a 3.50E+3n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263076
PNG
(US9708359, 5)
Show SMILES Cc1nc(N)c2c(cn([C@@H]3O[C@H](COC(=O)[C@@H](N)Cc4ccccc4)[C@@H](O)[C@H]3O)c2n1)C(N)=O |r|
Show InChI InChI=1S/C22H26N6O6/c1-10-26-18(24)15-12(19(25)31)8-28(20(15)27-10)21-17(30)16(29)14(34-21)9-33-22(32)13(23)7-11-5-3-2-4-6-11/h2-6,8,13-14,16-17,21,29-30H,7,9,23H2,1H3,(H2,25,31)(H2,24,26,27)/t13-,14+,16+,17+,21+/m0/s1
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n/an/an/an/a 2.20E+3n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263072
PNG
(US9708359, 1 | US9708359, 122 | US9708359, 38 | US...)
Show SMILES Cc1nc(N)c2c(cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)C(N)=O |r|
Show InChI InChI=1S/C13H17N5O5/c1-4-16-10(14)7-5(11(15)22)2-18(12(7)17-4)13-9(21)8(20)6(3-19)23-13/h2,6,8-9,13,19-21H,3H2,1H3,(H2,15,22)(H2,14,16,17)/t6-,8-,9-,13-/m1/s1
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n/an/an/an/a 3.08E+3n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263078
PNG
(US9708359, 71)
Show SMILES Cc1nc(N)c2c(cn([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1)C(N)=O |r|
Show InChI InChI=1S/C13H18N5O8P/c1-4-16-10(14)7-5(11(15)21)2-18(12(7)17-4)13-9(20)8(19)6(26-13)3-25-27(22,23)24/h2,6,8-9,13,19-20H,3H2,1H3,(H2,15,21)(H2,14,16,17)(H2,22,23,24)/t6-,8-,9-,13-/m1/s1
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n/an/an/an/a 3.15E+3n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263079
PNG
(US9708359, 77)
Show SMILES CC(C)C[C@H](N)C(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(N)=O)c2c(N)nc(C)nc12 |r|
Show InChI InChI=1S/C19H28N6O6/c1-7(2)4-10(20)19(29)30-6-11-13(26)14(27)18(31-11)25-5-9(16(22)28)12-15(21)23-8(3)24-17(12)25/h5,7,10-11,13-14,18,26-27H,4,6,20H2,1-3H3,(H2,22,28)(H2,21,23,24)/t10-,11+,13+,14+,18+/m0/s1
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n/an/an/an/a 4.40E+3n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263080
PNG
(US9708359, 76)
Show SMILES CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(N)=O)c2c(N)nc(C)nc12 |r|
Show InChI InChI=1S/C34H38N6O8/c1-16(2)12-24(39-34(45)47-14-23-20-10-6-4-8-18(20)19-9-5-7-11-21(19)23)33(44)46-15-25-27(41)28(42)32(48-25)40-13-22(30(36)43)26-29(35)37-17(3)38-31(26)40/h4-11,13,16,23-25,27-28,32,41-42H,12,14-15H2,1-3H3,(H2,36,43)(H,39,45)(H2,35,37,38)/t24-,25+,27+,28+,32+/m0/s1
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n/an/an/an/a 1.64E+4n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263081
PNG
(US9708359, 107)
Show SMILES C[C@H](NP(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(N)=O)c2c(N)nc(C)nc12)Oc1ccccc1)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C29H33N6O9P/c1-16(29(39)41-14-18-9-5-3-6-10-18)34-45(40,44-19-11-7-4-8-12-19)42-15-21-23(36)24(37)28(43-21)35-13-20(26(31)38)22-25(30)32-17(2)33-27(22)35/h3-13,16,21,23-24,28,36-37H,14-15H2,1-2H3,(H2,31,38)(H,34,40)(H2,30,32,33)/t16-,21+,23+,24+,28+,45?/m0/s1
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n/an/an/an/a 1.81E+4n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263082
PNG
(US9708359, 111)
Show SMILES COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(N)=O)c2c(N)nc(C)nc12)Oc1ccccc1 |r|
Show InChI InChI=1S/C23H29N6O9P/c1-11(23(33)35-3)28-39(34,38-13-7-5-4-6-8-13)36-10-15-17(30)18(31)22(37-15)29-9-14(20(25)32)16-19(24)26-12(2)27-21(16)29/h4-9,11,15,17-18,22,30-31H,10H2,1-3H3,(H2,25,32)(H,28,34)(H2,24,26,27)/t11-,15+,17+,18+,22+,39?/m0/s1
PDB

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n/an/an/an/a 2.10E+4n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263083
PNG
(US9708359, 126)
Show SMILES C[C@@H](NP(=O)(N[C@@H](C)C(=O)OCc1ccccc1)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(N)=O)c2c(N)nc(C)nc12)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C33H40N7O10P/c1-18(32(44)47-15-21-10-6-4-7-11-21)38-51(46,39-19(2)33(45)48-16-22-12-8-5-9-13-22)49-17-24-26(41)27(42)31(50-24)40-14-23(29(35)43)25-28(34)36-20(3)37-30(25)40/h4-14,18-19,24,26-27,31,41-42H,15-17H2,1-3H3,(H2,35,43)(H2,34,36,37)(H2,38,39,46)/t18-,19+,24-,26-,27-,31-,51?/m1/s1
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n/an/an/an/a 3.36E+4n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263083
PNG
(US9708359, 126)
Show SMILES C[C@@H](NP(=O)(N[C@@H](C)C(=O)OCc1ccccc1)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(N)=O)c2c(N)nc(C)nc12)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C33H40N7O10P/c1-18(32(44)47-15-21-10-6-4-7-11-21)38-51(46,39-19(2)33(45)48-16-22-12-8-5-9-13-22)49-17-24-26(41)27(42)31(50-24)40-14-23(29(35)43)25-28(34)36-20(3)37-30(25)40/h4-14,18-19,24,26-27,31,41-42H,15-17H2,1-3H3,(H2,35,43)(H2,34,36,37)(H2,38,39,46)/t18-,19+,24-,26-,27-,31-,51?/m1/s1
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n/an/an/an/a 3.89E+4n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263084
PNG
(US9708359, 133)
Show SMILES CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@H]([C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)n1cc(C(N)=O)c2c(N)nc(C)nc12)Oc1ccccc1 |r|
Show InChI InChI=1S/C33H45N6O11P/c1-16(2)31(41)48-25-23(15-45-51(44,50-21-12-10-9-11-13-21)38-19(7)33(43)46-18(5)6)47-30(26(25)49-32(42)17(3)4)39-14-22(28(35)40)24-27(34)36-20(8)37-29(24)39/h9-14,16-19,23,25-26,30H,15H2,1-8H3,(H2,35,40)(H,38,44)(H2,34,36,37)/t19-,23+,25+,26+,30+,51?/m0/s1
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n/an/an/an/a 2.57E+4n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263085
PNG
(US9708359, 137)
Show SMILES CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(N)=O)c2c(N)nc(C)nc12)OCc1ccccc1C |r|
Show InChI InChI=1S/C27H37N6O9P/c1-13(2)41-27(37)15(4)32-43(38,39-11-17-9-7-6-8-14(17)3)40-12-19-21(34)22(35)26(42-19)33-10-18(24(29)36)20-23(28)30-16(5)31-25(20)33/h6-10,13,15,19,21-22,26,34-35H,11-12H2,1-5H3,(H2,29,36)(H,32,38)(H2,28,30,31)/t15-,19+,21+,22+,26+,43?/m0/s1
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n/an/an/an/a 2.00E+4n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263087
PNG
(US9708359, 141)
Show SMILES CC(C)OC(=O)[C@H](C)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(N)=O)c2c(N)nc(C)nc12 |r|
Show InChI InChI=1S/C19H29N6O9P/c1-7(2)33-19(29)8(3)24-35(30,31)32-6-11-13(26)14(27)18(34-11)25-5-10(16(21)28)12-15(20)22-9(4)23-17(12)25/h5,7-8,11,13-14,18,26-27H,6H2,1-4H3,(H2,21,28)(H2,20,22,23)(H2,24,30,31)/t8-,11+,13+,14+,18+/m0/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263088
PNG
(US9708359, 143)
Show SMILES CCCCCCCCCCCCCCCCOCCCOC(=O)[C@H](C)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(N)=O)c2c(N)nc(C)nc12 |r|
Show InChI InChI=1S/C35H61N6O10P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-48-20-18-21-49-35(45)24(2)40-52(46,47)50-23-27-29(42)30(43)34(51-27)41-22-26(32(37)44)28-31(36)38-25(3)39-33(28)41/h22,24,27,29-30,34,42-43H,4-21,23H2,1-3H3,(H2,37,44)(H2,36,38,39)(H2,40,46,47)/t24-,27+,29+,30+,34+/m0/s1
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n/an/an/an/a 2.63E+4n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263089
PNG
(US9708359, 145)
Show SMILES CCCCCCCCC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(=O)CCCCCCCC)cc2)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc(C(N)=O)c3c(N)nc(C)nc23)cc1 |r|
Show InChI InChI=1S/C45H63N5O15P2/c1-4-6-8-10-12-14-16-37(51)62-33-22-18-31(19-23-33)27-60-67(58,61-28-32-20-24-34(25-21-32)63-38(52)17-15-13-11-9-7-5-2)65-66(56,57)59-29-36-40(53)41(54)45(64-36)50-26-35(43(47)55)39-42(46)48-30(3)49-44(39)50/h18-26,36,40-41,45,53-54H,4-17,27-29H2,1-3H3,(H2,47,55)(H,56,57)(H2,46,48,49)/t36-,40-,41-,45-/m1/s1
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n/an/an/an/a 7.40E+3n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263090
PNG
(US9708359, 7)
Show SMILES Cc1nc(O)c2c(cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)C(N)=O |r|
Show InChI InChI=1S/C13H16N4O6/c1-4-15-11-7(12(22)16-4)5(10(14)21)2-17(11)13-9(20)8(19)6(3-18)23-13/h2,6,8-9,13,18-20H,3H2,1H3,(H2,14,21)(H,15,16,22)/t6-,8-,9-,13-/m1/s1
PDB

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n/an/an/an/a 5.38E+4n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263091
PNG
(US9708359, 8)
Show SMILES Cc1nc(N)c2c(cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[n+]1[O-])C(N)=O |r|
Show InChI InChI=1S/C13H17N5O6/c1-4-16-10(14)7-5(11(15)22)2-17(12(7)18(4)23)13-9(21)8(20)6(3-19)24-13/h2,6,8-9,13,19-21H,3H2,1H3,(H2,14,16)(H2,15,22)/t6-,8-,9-,13-/m1/s1
PDB

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n/an/an/an/a 2.36E+4n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263092
PNG
(US9708359, 10)
Show SMILES Cc1nc(N)c2c(cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)-c1nn[nH]n1 |r|
PDB

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n/an/an/an/a 6.15E+4n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263094
PNG
(US9708359, 14)
Show SMILES Cc1nc(N)c2c(I)cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C12H15IN4O4/c1-4-15-10(14)7-5(13)2-17(11(7)16-4)12-9(20)8(19)6(3-18)21-12/h2,6,8-9,12,18-20H,3H2,1H3,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1
PDB

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n/an/an/an/a>1.00E+5n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263095
PNG
(US9708359, 16 | US9708359, 28)
Show SMILES NC(=S)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(nc(N)c12)-c1ccccc1 |r|
Show InChI InChI=1S/C18H19N5O4S/c19-14-11-9(15(20)28)6-23(18-13(26)12(25)10(7-24)27-18)17(11)22-16(21-14)8-4-2-1-3-5-8/h1-6,10,12-13,18,24-26H,7H2,(H2,20,28)(H2,19,21,22)/t10-,12-,13-,18-/m1/s1
PDB

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n/an/an/an/a>1.00E+5n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263096
PNG
(US9708359, 17)
Show SMILES Nc1nc(nc2n(cc(C#N)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-c1ccccc1 |r|
Show InChI InChI=1S/C18H17N5O4/c19-6-10-7-23(18-14(26)13(25)11(8-24)27-18)17-12(10)15(20)21-16(22-17)9-4-2-1-3-5-9/h1-5,7,11,13-14,18,24-26H,8H2,(H2,20,21,22)/t11-,13-,14-,18-/m1/s1
PDB

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n/an/an/an/a>1.00E+5n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263097
PNG
(US9708359, 18)
Show SMILES NC(=O)c1cn([C@@H]2O[C@H](COCc3ccccc3)[C@@H](O)[C@H]2O)c2nc(nc(N)c12)-c1ccccc1 |r|
Show InChI InChI=1S/C25H25N5O5/c26-21-18-16(22(27)33)11-30(24(18)29-23(28-21)15-9-5-2-6-10-15)25-20(32)19(31)17(35-25)13-34-12-14-7-3-1-4-8-14/h1-11,17,19-20,25,31-32H,12-13H2,(H2,27,33)(H2,26,28,29)/t17-,19-,20-,25-/m1/s1
PDB

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n/an/an/an/a>1.00E+5n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263098
PNG
(US9708359, 19)
Show SMILES Cc1nc(N)c2c(cn([C@@H]3O[C@H](COCc4ccccc4)[C@@H](O)[C@H]3O)c2n1)C(N)=O |r|
Show InChI InChI=1S/C20H23N5O5/c1-10-23-17(21)14-12(18(22)28)7-25(19(14)24-10)20-16(27)15(26)13(30-20)9-29-8-11-5-3-2-4-6-11/h2-7,13,15-16,20,26-27H,8-9H2,1H3,(H2,22,28)(H2,21,23,24)/t13-,15-,16-,20-/m1/s1
PDB

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n/an/an/an/a>1.00E+5n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263099
PNG
(US9708359, 20)
Show SMILES Cc1nc(N)c2c(cn([C@@H]3O[C@H](CO)[C@H]4OC(C)(C)O[C@@H]34)c2n1)C(N)=O |r|
Show InChI InChI=1S/C16H21N5O5/c1-6-19-12(17)9-7(13(18)23)4-21(14(9)20-6)15-11-10(8(5-22)24-15)25-16(2,3)26-11/h4,8,10-11,15,22H,5H2,1-3H3,(H2,18,23)(H2,17,19,20)/t8-,10-,11-,15-/m1/s1
PDB

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n/an/an/an/a>2.00E+4n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263101
PNG
(US9708359, 22)
Show SMILES CCCCCCCCCCCCCCCOCCCOP(O)(=O)COC[C@H]1O[C@H]([C@@H]2OC(C)(C)O[C@H]12)n1cc(C(N)=O)c2c(N)nc(C)nc12 |r|
Show InChI InChI=1S/C35H60N5O9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-44-20-18-21-46-50(42,43)24-45-23-27-29-30(49-35(3,4)48-29)34(47-27)40-22-26(32(37)41)28-31(36)38-25(2)39-33(28)40/h22,27,29-30,34H,5-21,23-24H2,1-4H3,(H2,37,41)(H,42,43)(H2,36,38,39)/t27-,29-,30-,34-/m1/s1
PDB

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n/an/an/an/a>1.00E+5n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263102
PNG
(US9708359, 27)
Show SMILES Cc1nc(N)c2c(cn([C@@H]3O[C@H](COCc4ccccc4)[C@@H](O)[C@H]3O)c2n1)C#N |r|
Show InChI InChI=1S/C20H21N5O4/c1-11-23-18(22)15-13(7-21)8-25(19(15)24-11)20-17(27)16(26)14(29-20)10-28-9-12-5-3-2-4-6-12/h2-6,8,14,16-17,20,26-27H,9-10H2,1H3,(H2,22,23,24)/t14-,16-,17-,20-/m1/s1
PDB

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n/an/an/an/a>1.00E+5n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263095
PNG
(US9708359, 16 | US9708359, 28)
Show SMILES NC(=S)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(nc(N)c12)-c1ccccc1 |r|
Show InChI InChI=1S/C18H19N5O4S/c19-14-11-9(15(20)28)6-23(18-13(26)12(25)10(7-24)27-18)17(11)22-16(21-14)8-4-2-1-3-5-8/h1-6,10,12-13,18,24-26H,7H2,(H2,20,28)(H2,19,21,22)/t10-,12-,13-,18-/m1/s1
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Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263104
PNG
(US9708359, 29)
Show SMILES Cc1nc(Cl)c2c(cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)C#N |r|
Show InChI InChI=1S/C13H13ClN4O4/c1-5-16-11(14)8-6(2-15)3-18(12(8)17-5)13-10(21)9(20)7(4-19)22-13/h3,7,9-10,13,19-21H,4H2,1H3/t7-,9-,10-,13-/m1/s1
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Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263105
PNG
(US9708359, 30)
Show SMILES COc1nc(C)nc2n(cc(C#N)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H16N4O5/c1-6-16-12-9(13(17-6)22-2)7(3-15)4-18(12)14-11(21)10(20)8(5-19)23-14/h4,8,10-11,14,19-21H,5H2,1-2H3/t8-,10-,11-,14-/m1/s1
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Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263107
PNG
(US9708359, 32)
Show SMILES Cc1nc(N)c2c(cnc2n1)C(N)=O
Show InChI InChI=1S/C8H8N5O/c1-3-12-6(9)5-4(7(10)14)2-11-8(5)13-3/h2H,1H3,(H2,10,14)(H2,9,11,12,13)
PDB

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n/an/an/an/a>1.00E+5n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263108
PNG
(US9708359, 33)
Show SMILES Cc1nc(N)c2c(cn([C@@H]3O[C@H](COCc4ccccc4)[C@@H](O)[C@H]3O)c2n1)C(O)=O |r|
Show InChI InChI=1S/C20H22N4O6/c1-10-22-17(21)14-12(20(27)28)7-24(18(14)23-10)19-16(26)15(25)13(30-19)9-29-8-11-5-3-2-4-6-11/h2-7,13,15-16,19,25-26H,8-9H2,1H3,(H,27,28)(H2,21,22,23)/t13-,15-,16-,19-/m1/s1
PDB

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Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263109
PNG
(US9708359, 34)
Show SMILES Cc1ncc2c(cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)C(O)=O |r|
Show InChI InChI=1S/C13H15N3O6/c1-5-14-2-6-7(13(20)21)3-16(11(6)15-5)12-10(19)9(18)8(4-17)22-12/h2-3,8-10,12,17-19H,4H2,1H3,(H,20,21)/t8-,9-,10-,12-/m1/s1
PDB

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Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263110
PNG
(US9708359, 35)
Show SMILES Cc1ncc2c(cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)C(N)=O |r|
Show InChI InChI=1S/C13H16N4O5/c1-5-15-2-6-7(11(14)21)3-17(12(6)16-5)13-10(20)9(19)8(4-18)22-13/h2-3,8-10,13,18-20H,4H2,1H3,(H2,14,21)/t8-,9-,10-,13-/m1/s1
PDB

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Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263111
PNG
(US9708359, 36)
Show SMILES CNc1nc(C)nc2n(cc(C(N)=O)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H19N5O5/c1-5-17-12(16-2)8-6(11(15)23)3-19(13(8)18-5)14-10(22)9(21)7(4-20)24-14/h3,7,9-10,14,20-22H,4H2,1-2H3,(H2,15,23)(H,16,17,18)/t7-,9-,10-,14-/m1/s1
PDB

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Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263112
PNG
(US9708359, 37)
Show SMILES CN(C)c1nc(C)nc2n(cc(C(N)=O)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H21N5O5/c1-6-17-13(19(2)3)9-7(12(16)24)4-20(14(9)18-6)15-11(23)10(22)8(5-21)25-15/h4,8,10-11,15,21-23H,5H2,1-3H3,(H2,16,24)/t8-,10-,11-,15-/m1/s1
PDB

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Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263114
PNG
(US9708359, 39)
Show SMILES CNC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(C)nc(N)c12 |r|
Show InChI InChI=1S/C14H19N5O5/c1-5-17-11(15)8-6(13(23)16-2)3-19(12(8)18-5)14-10(22)9(21)7(4-20)24-14/h3,7,9-10,14,20-22H,4H2,1-2H3,(H,16,23)(H2,15,17,18)/t7-,9-,10-,14-/m1/s1
PDB

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Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263115
PNG
(US9708359, 41)
Show SMILES CN(C)C(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(C)nc(N)c12 |r|
Show InChI InChI=1S/C15H21N5O5/c1-6-17-12(16)9-7(14(24)19(2)3)4-20(13(9)18-6)15-11(23)10(22)8(5-21)25-15/h4,8,10-11,15,21-23H,5H2,1-3H3,(H2,16,17,18)/t8-,10-,11-,15-/m1/s1
PDB

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Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263116
PNG
(US9708359, 42)
Show SMILES COc1nc(C)nc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C13H16IN3O5/c1-5-15-11-8(12(16-5)21-2)6(14)3-17(11)13-10(20)9(19)7(4-18)22-13/h3,7,9-10,13,18-20H,4H2,1-2H3/t7-,9-,10-,13-/m1/s1
PDB

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Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
Genome polyprotein


(Murine norovirus 1)
BDBM263117
PNG
(US9708359, 43)
Show SMILES CSc1nc(C)nc2n(cc(I)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C13H16IN3O4S/c1-5-15-11-8(12(16-5)22-2)6(14)3-17(11)13-10(20)9(19)7(4-18)21-13/h3,7,9-10,13,18-20H,4H2,1-2H3/t7-,9-,10-,13-/m1/s1
PDB

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n/an/an/an/a>1.00E+5n/an/an/an/a



Chimerix, Inc.; The Regents of the University of Michigan

US Patent


Assay Description
Polymerase reactions (10 μL) were conducted for 60 minutes at 37° C. Nucleoside triphosphates (NTPs) were present at 100 μM each, with 0.05...


US Patent US9708359 (2017)


BindingDB Entry DOI: 10.7270/Q22F7QGB
More data for this
Ligand-Target Pair
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