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Patent code US10202367

Compile Data Set for Download or QSAR
Found 71 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
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345864
PNG
(US10202367, Compound 10)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1CCC(C)CC1)c1ccccc1C
Show InChI InChI=1/C27H42N4O2/c1-20-9-15-30(16-10-20)14-6-13-28-26(32)23-11-17-31(18-12-23)19-25-22(3)33-27(29-25)24-8-5-4-7-21(24)2/h4-5,7-8,20,22-23,25H,6,9-19H2,1-3H3,(H,28,32)
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n/an/an/an/a 400n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345871
PNG
(US10202367, Compound 17)
Show SMILES CCc1ccccc1C1=NC(CN2CCC(CC2)C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)C(C)O1
Show InChI InChI=1/C29H46N4O2/c1-5-24-9-6-7-10-26(24)29-31-27(23(4)35-29)20-32-15-11-25(12-16-32)28(34)30-13-8-14-33-18-21(2)17-22(3)19-33/h6-7,9-10,21-23,25,27H,5,8,11-20H2,1-4H3,(H,30,34)/t21-,22+,23?,27?
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n/an/an/an/a 140n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345873
PNG
(US10202367, Compound 19)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1ccc(C)cc1
Show InChI InChI=1/C28H44N4O2/c1-20-6-8-25(9-7-20)28-30-26(23(4)34-28)19-31-14-10-24(11-15-31)27(33)29-12-5-13-32-17-21(2)16-22(3)18-32/h6-9,21-24,26H,5,10-19H2,1-4H3,(H,29,33)/t21-,22+,23?,26?
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n/an/an/an/a 100n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345882
PNG
(US10202367, Compound 28)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@H](C)C1)c1ccccc1C
Show InChI InChI=1/C28H44N4O2/c1-20-16-21(2)18-32(17-20)13-7-12-29-27(33)24-10-14-31(15-11-24)19-26-23(4)34-28(30-26)25-9-6-5-8-22(25)3/h5-6,8-9,20-21,23-24,26H,7,10-19H2,1-4H3,(H,29,33)/t20-,21-,23?,26?/s2
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n/an/an/an/a 74n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345892
PNG
(US10202367, Compound 38)
Show SMILES COc1cccc(F)c1C1=NC(CN2CCC(CC2)C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)C(C)O1
Show InChI InChI=1/C28H43FN4O3/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)22-9-13-32(14-10-22)18-24-21(3)36-28(31-24)26-23(29)7-5-8-25(26)35-4/h5,7-8,19-22,24H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+,21?,24?
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n/an/an/an/a 455n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345895
PNG
(US10202367, Compound 41 | US10202367, Compound 43)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1c(Cl)cccc1Br
Show InChI InChI=1/C27H40BrClN4O2/c1-18-14-19(2)16-33(15-18)11-5-10-30-26(34)21-8-12-32(13-9-21)17-24-20(3)35-27(31-24)25-22(28)6-4-7-23(25)29/h4,6-7,18-21,24H,5,8-17H2,1-3H3,(H,30,34)/t18-,19+,20?,24?
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n/an/an/an/a 386n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345910
PNG
(US10202367, Compound 56)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1c(C)c(C)c(C)c(C)c1C
Show InChI InChI=1/C32H52N4O2/c1-20-16-21(2)18-36(17-20)13-9-12-33-31(37)28-10-14-35(15-11-28)19-29-27(8)38-32(34-29)30-25(6)23(4)22(3)24(5)26(30)7/h20-21,27-29H,9-19H2,1-8H3,(H,33,37)/t20-,21+,27?,29?
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n/an/an/an/a 149n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345914
PNG
(US10202367, Compound 60)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1CCC(C)(C)CC1)c1c(C)cccc1Cl
Show InChI InChI=1/C28H43ClN4O2/c1-20-7-5-8-23(29)25(20)27-31-24(21(2)35-27)19-33-15-9-22(10-16-33)26(34)30-13-6-14-32-17-11-28(3,4)12-18-32/h5,7-8,21-22,24H,6,9-19H2,1-4H3,(H,30,34)
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n/an/an/an/a 220n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345925
PNG
(US10202367, Compound 71)
Show SMILES CC(C)C1CCN(CCCNC(=O)C2CCN(Cc3coc(n3)-c3ccc(F)c(C)c3)CC2)CC1
Show InChI InChI=1S/C28H41FN4O2/c1-20(2)22-7-13-32(14-8-22)12-4-11-30-27(34)23-9-15-33(16-10-23)18-25-19-35-28(31-25)24-5-6-26(29)21(3)17-24/h5-6,17,19-20,22-23H,4,7-16,18H2,1-3H3,(H,30,34)
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n/an/an/an/a 55n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345820
PNG
(US10202367, Compound 1)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1c(C)cccc1Cl
Show InChI InChI=1/C28H43ClN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,22-23,25H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+,22?,25?
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n/an/an/an/a 14n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345862
PNG
(US10202367, Compound 8)
Show SMILES CCN(CC)CCCCNC(=O)C1CCN(CC2N=C(OC2C)c2cc(OC)cc(OC)c2)CC1
Show InChI InChI=1/C27H44N4O4/c1-6-30(7-2)13-9-8-12-28-26(32)21-10-14-31(15-11-21)19-25-20(3)35-27(29-25)22-16-23(33-4)18-24(17-22)34-5/h16-18,20-21,25H,6-15,19H2,1-5H3,(H,28,32)
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n/an/an/an/a 6.55E+3n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345891
PNG
(US10202367, Compound 37)
Show SMILES COc1cccc(OC)c1C1=NC(CN2CCC(CC2)C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)C(C)O1
Show InChI InChI=1/C29H46N4O4/c1-20-16-21(2)18-33(17-20)13-7-12-30-28(34)23-10-14-32(15-11-23)19-24-22(3)37-29(31-24)27-25(35-4)8-6-9-26(27)36-5/h6,8-9,20-24H,7,10-19H2,1-5H3,(H,30,34)/t20-,21+,22?,24?
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n/an/an/an/a 3.34E+3n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345893
PNG
(US10202367, Compound 39 | US10202367, Compound 62)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1c(C)ccc2ccccc12
Show InChI InChI=1/C32H46N4O2/c1-22-18-23(2)20-36(19-22)15-7-14-33-31(37)27-12-16-35(17-13-27)21-29-25(4)38-32(34-29)30-24(3)10-11-26-8-5-6-9-28(26)30/h5-6,8-11,22-23,25,27,29H,7,12-21H2,1-4H3,(H,33,37)/t22-,23+,25?,29?
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n/an/an/an/a 124n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345898
PNG
(US10202367, Compound 44)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1c(Cl)cccc1C(F)(F)F
Show InChI InChI=1/C28H40ClF3N4O2/c1-18-14-19(2)16-36(15-18)11-5-10-33-26(37)21-8-12-35(13-9-21)17-24-20(3)38-27(34-24)25-22(28(30,31)32)6-4-7-23(25)29/h4,6-7,18-21,24H,5,8-17H2,1-3H3,(H,33,37)/t18-,19+,20?,24?
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n/an/an/an/a 354n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345881
PNG
(US10202367, Compound 27 | US10202367, Compound 47)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1)c1ccccc1C
Show InChI InChI=1/C28H44N4O2/c1-20-16-21(2)18-32(17-20)13-7-12-29-27(33)24-10-14-31(15-11-24)19-26-23(4)34-28(30-26)25-9-6-5-8-22(25)3/h5-6,8-9,20-21,23-24,26H,7,10-19H2,1-4H3,(H,29,33)/t20-,21-,23?,26?/s2
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n/an/an/an/a 50n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345905
PNG
(US10202367, Compound 51)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1[C@@H](C)CCC[C@H]1C)c1ccccc1C
Show InChI InChI=1/C28H44N4O2/c1-20-9-5-6-12-25(20)28-30-26(23(4)34-28)19-31-17-13-24(14-18-31)27(33)29-15-8-16-32-21(2)10-7-11-22(32)3/h5-6,9,12,21-24,26H,7-8,10-11,13-19H2,1-4H3,(H,29,33)/t21-,22+,23?,26?
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n/an/an/an/a 120n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345822
PNG
(US10202367, Compound 21 | US10202367, Compound 25 ...)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1ccccc1C
Show InChI InChI=1/C28H44N4O2/c1-20-16-21(2)18-32(17-20)13-7-12-29-27(33)24-10-14-31(15-11-24)19-26-23(4)34-28(30-26)25-9-6-5-8-22(25)3/h5-6,8-9,20-21,23-24,26H,7,10-19H2,1-4H3,(H,29,33)/t20-,21+,23?,26?
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n/an/an/an/a 94n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345921
PNG
(US10202367, Compound 67)
Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@@H]2CCCN(Cc3nc(oc3C)-c3ccccc3C)C2)C1
Show InChI InChI=1/C28H42N4O2/c1-20-15-21(2)17-31(16-20)14-8-12-29-27(33)24-10-7-13-32(18-24)19-26-23(4)34-28(30-26)25-11-6-5-9-22(25)3/h5-6,9,11,20-21,24H,7-8,10,12-19H2,1-4H3,(H,29,33)/t20-,21+,24-/s2
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n/an/an/an/a 304n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345822
PNG
(US10202367, Compound 21 | US10202367, Compound 25 ...)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1ccccc1C
Show InChI InChI=1/C28H44N4O2/c1-20-16-21(2)18-32(17-20)13-7-12-29-27(33)24-10-14-31(15-11-24)19-26-23(4)34-28(30-26)25-9-6-5-8-22(25)3/h5-6,8-9,20-21,23-24,26H,7,10-19H2,1-4H3,(H,29,33)/t20-,21+,23?,26?
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n/an/an/an/a 126n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345823
PNG
(US10202367, Compound 4)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1cc(C)cc(C)c1
Show InChI InChI=1/C29H46N4O2/c1-20-13-21(2)16-26(15-20)29-31-27(24(5)35-29)19-32-11-7-25(8-12-32)28(34)30-9-6-10-33-17-22(3)14-23(4)18-33/h13,15-16,22-25,27H,6-12,14,17-19H2,1-5H3,(H,30,34)/t22-,23+,24?,27?
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n/an/an/an/a 36n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345859
PNG
(US10202367, Compound 5)
Show SMILES CC(C)C1CCN(CCCNC(=O)C2CCN(CC3N=C(OC3C)c3ccccc3C)CC2)CC1
Show InChI InChI=1/C29H46N4O2/c1-21(2)24-10-16-32(17-11-24)15-7-14-30-28(34)25-12-18-33(19-13-25)20-27-23(4)35-29(31-27)26-9-6-5-8-22(26)3/h5-6,8-9,21,23-25,27H,7,10-20H2,1-4H3,(H,30,34)
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n/an/an/an/a 54n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345822
PNG
(US10202367, Compound 21 | US10202367, Compound 25 ...)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1ccccc1C
Show InChI InChI=1/C28H44N4O2/c1-20-16-21(2)18-32(17-20)13-7-12-29-27(33)24-10-14-31(15-11-24)19-26-23(4)34-28(30-26)25-9-6-5-8-22(25)3/h5-6,8-9,20-21,23-24,26H,7,10-19H2,1-4H3,(H,29,33)/t20-,21+,23?,26?
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n/an/an/an/a 34n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345894
PNG
(US10202367, Compound 40)
Show SMILES COc1cccc(Br)c1C1=NC(CN2CCC(CC2)C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)C(C)O1
Show InChI InChI=1/C28H43BrN4O3/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)22-9-13-32(14-10-22)18-24-21(3)36-28(31-24)26-23(29)7-5-8-25(26)35-4/h5,7-8,19-22,24H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+,21?,24?
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n/an/an/an/a 213n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345912
PNG
(US10202367, Compound 58)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1/C27H40Cl2N4O2/c1-18-13-19(2)16-33(15-18)10-4-9-30-26(34)21-7-11-32(12-8-21)17-25-20(3)35-27(31-25)22-5-6-23(28)24(29)14-22/h5-6,14,18-21,25H,4,7-13,15-17H2,1-3H3,(H,30,34)/t18-,19+,20?,25?
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n/an/an/an/a 13n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345868
PNG
(US10202367, Compound 14)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)N1CCN(CCN(C)C)CC1)c1ccccc1C
Show InChI InChI=1/C26H41N5O2/c1-20-7-5-6-8-23(20)25-27-24(21(2)33-25)19-30-11-9-22(10-12-30)26(32)31-17-15-29(16-18-31)14-13-28(3)4/h5-8,21-22,24H,9-19H2,1-4H3
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n/an/an/an/a 6.10E+3n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345869
PNG
(US10202367, Compound 15)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1ccccc1Cl
Show InChI InChI=1/C27H41ClN4O2/c1-19-15-20(2)17-32(16-19)12-6-11-29-26(33)22-9-13-31(14-10-22)18-25-21(3)34-27(30-25)23-7-4-5-8-24(23)28/h4-5,7-8,19-22,25H,6,9-18H2,1-3H3,(H,29,33)/t19-,20+,21?,25?
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n/an/an/an/a 86n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345872
PNG
(US10202367, Compound 18)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1cccc(C)c1
Show InChI InChI=1/C28H44N4O2/c1-20-7-5-8-25(16-20)28-30-26(23(4)34-28)19-31-13-9-24(10-14-31)27(33)29-11-6-12-32-17-21(2)15-22(3)18-32/h5,7-8,16,21-24,26H,6,9-15,17-19H2,1-4H3,(H,29,33)/t21-,22+,23?,26?
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n/an/an/an/a 120n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345884
PNG
(US10202367, Compound 30)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1c(F)cccc1F
Show InChI InChI=1/C27H40F2N4O2/c1-18-14-19(2)16-33(15-18)11-5-10-30-26(34)21-8-12-32(13-9-21)17-24-20(3)35-27(31-24)25-22(28)6-4-7-23(25)29/h4,6-7,18-21,24H,5,8-17H2,1-3H3,(H,30,34)/t18-,19+,20?,24?
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n/an/an/an/a 624n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345886
PNG
(US10202367, Compound 32)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1ccc(C)cc1C
Show InChI InChI=1/C29H46N4O2/c1-20-7-8-26(23(4)16-20)29-31-27(24(5)35-29)19-32-13-9-25(10-14-32)28(34)30-11-6-12-33-17-21(2)15-22(3)18-33/h7-8,16,21-22,24-25,27H,6,9-15,17-19H2,1-5H3,(H,30,34)/t21-,22+,24?,27?
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n/an/an/an/a 84n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345902
PNG
(US10202367, Compound 48)
Show SMILES CC[C@H]1C[C@@H](CC)CN(CCCNC(=O)C2CCN(CC3N=C(OC3C)c3ccccc3C)CC2)C1
Show InChI InChI=1/C30H48N4O2/c1-5-24-18-25(6-2)20-34(19-24)15-9-14-31-29(35)26-12-16-33(17-13-26)21-28-23(4)36-30(32-28)27-11-8-7-10-22(27)3/h7-8,10-11,23-26,28H,5-6,9,12-21H2,1-4H3,(H,31,35)/t23?,24-,25+,28?
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n/an/an/an/a 181n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345909
PNG
(US10202367, Compound 55)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1c(C)cc(C)cc1C
Show InChI InChI=1/C30H48N4O2/c1-20-15-23(4)28(24(5)16-20)30-32-27(25(6)36-30)19-33-12-8-26(9-13-33)29(35)31-10-7-11-34-17-21(2)14-22(3)18-34/h15-16,21-22,25-27H,7-14,17-19H2,1-6H3,(H,31,35)/t21-,22+,25?,27?
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n/an/an/an/a 190n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345822
PNG
(US10202367, Compound 21 | US10202367, Compound 25 ...)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1ccccc1C
Show InChI InChI=1/C28H44N4O2/c1-20-16-21(2)18-32(17-20)13-7-12-29-27(33)24-10-14-31(15-11-24)19-26-23(4)34-28(30-26)25-9-6-5-8-22(25)3/h5-6,8-9,20-21,23-24,26H,7,10-19H2,1-4H3,(H,29,33)/t20-,21+,23?,26?
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n/an/an/an/a 84n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345919
PNG
(US10202367, Compound 65)
Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3nc(sc3C)-c3ccccc3C)CC2)C1
Show InChI InChI=1/C28H42N4OS/c1-20-16-21(2)18-32(17-20)13-7-12-29-27(33)24-10-14-31(15-11-24)19-26-23(4)34-28(30-26)25-9-6-5-8-22(25)3/h5-6,8-9,20-21,24H,7,10-19H2,1-4H3,(H,29,33)/t20-,21+
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n/an/an/an/a 38n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345821
PNG
(US10202367, Compound 2)
Show SMILES CCCN(CC)CCNC(=O)C1CCN(CC2N=C(OC2C)c2ccccc2C)CC1
Show InChI InChI=1/C25H40N4O2/c1-5-14-28(6-2)17-13-26-24(30)21-11-15-29(16-12-21)18-23-20(4)31-25(27-23)22-10-8-7-9-19(22)3/h7-10,20-21,23H,5-6,11-18H2,1-4H3,(H,26,30)
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n/an/an/an/a 180n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345822
PNG
(US10202367, Compound 21 | US10202367, Compound 25 ...)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1ccccc1C
Show InChI InChI=1/C28H44N4O2/c1-20-16-21(2)18-32(17-20)13-7-12-29-27(33)24-10-14-31(15-11-24)19-26-23(4)34-28(30-26)25-9-6-5-8-22(25)3/h5-6,8-9,20-21,23-24,26H,7,10-19H2,1-4H3,(H,29,33)/t20-,21+,23?,26?
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n/an/an/an/a 59n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345881
PNG
(US10202367, Compound 27 | US10202367, Compound 47)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@H](C)C[C@@H](C)C1)c1ccccc1C
Show InChI InChI=1/C28H44N4O2/c1-20-16-21(2)18-32(17-20)13-7-12-29-27(33)24-10-14-31(15-11-24)19-26-23(4)34-28(30-26)25-9-6-5-8-22(25)3/h5-6,8-9,20-21,23-24,26H,7,10-19H2,1-4H3,(H,29,33)/t20-,21-,23?,26?/s2
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n/an/an/an/a 144n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345895
PNG
(US10202367, Compound 41 | US10202367, Compound 43)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1c(Cl)cccc1Br
Show InChI InChI=1/C27H40BrClN4O2/c1-18-14-19(2)16-33(15-18)11-5-10-30-26(34)21-8-12-32(13-9-21)17-24-20(3)35-27(31-24)25-22(28)6-4-7-23(25)29/h4,6-7,18-21,24H,5,8-17H2,1-3H3,(H,30,34)/t18-,19+,20?,24?
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n/an/an/an/a 178n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345911
PNG
(US10202367, Compound 57)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1ccc(F)cc1
Show InChI InChI=1/C27H41FN4O2/c1-19-15-20(2)17-32(16-19)12-4-11-29-26(33)22-9-13-31(14-10-22)18-25-21(3)34-27(30-25)23-5-7-24(28)8-6-23/h5-8,19-22,25H,4,9-18H2,1-3H3,(H,29,33)/t19-,20+,21?,25?
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n/an/an/an/a 53n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345915
PNG
(US10202367, Compound 61)
Show SMILES CC(C)C1CCN(CCCNC(=O)C2CCN(CC3N=C(OC3C)c3c(C)cccc3Cl)CC2)CC1
Show InChI InChI=1/C29H45ClN4O2/c1-20(2)23-9-15-33(16-10-23)14-6-13-31-28(35)24-11-17-34(18-12-24)19-26-22(4)36-29(32-26)27-21(3)7-5-8-25(27)30/h5,7-8,20,22-24,26H,6,9-19H2,1-4H3,(H,31,35)
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n/an/an/an/a 124n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345922
PNG
(US10202367, Compound 68)
Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3oc(nc3C(F)(F)F)-c3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)C1
Show InChI InChI=1/C29H35F9N4O2/c1-17-10-18(2)15-42(14-17)7-3-6-39-25(43)19-4-8-41(9-5-19)16-23-24(29(36,37)38)40-26(44-23)20-11-21(27(30,31)32)13-22(12-20)28(33,34)35/h11-13,17-19H,3-10,14-16H2,1-2H3,(H,39,43)/t17-,18+
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n/an/an/an/a 153n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345924
PNG
(US10202367, Compound 70)
Show SMILES C[C@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(Cc3coc(n3)-c3ccc(F)c(C)c3)CC2)C1
Show InChI InChI=1/C27H39FN4O2/c1-19-13-20(2)16-32(15-19)10-4-9-29-26(33)22-7-11-31(12-8-22)17-24-18-34-27(30-24)23-5-6-25(28)21(3)14-23/h5-6,14,18-20,22H,4,7-13,15-17H2,1-3H3,(H,29,33)/t19-,20+
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n/an/an/an/a 38n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345861
PNG
(US10202367, Compound 7)
Show SMILES COc1cc(OC)cc(c1)C1=NC(CN2CCC(CC2)C(=O)NCCCN2CC(C)CC(C)C2)C(C)O1
Show InChI InChI=1/C29H46N4O4/c1-20-13-21(2)18-33(17-20)10-6-9-30-28(34)23-7-11-32(12-8-23)19-27-22(3)37-29(31-27)24-14-25(35-4)16-26(15-24)36-5/h14-16,20-23,27H,6-13,17-19H2,1-5H3,(H,30,34)
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n/an/an/an/a 680n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345863
PNG
(US10202367, Compound 9)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1CCCCC1)c1ccccc1C
Show InChI InChI=1/C26H40N4O2/c1-20-9-4-5-10-23(20)26-28-24(21(2)32-26)19-30-17-11-22(12-18-30)25(31)27-13-8-16-29-14-6-3-7-15-29/h4-5,9-10,21-22,24H,3,6-8,11-19H2,1-2H3,(H,27,31)
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n/an/an/an/a 820n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345867
PNG
(US10202367, Compound 13)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)N1CCN(CC1)C1CCN(C)CC1)c1ccccc1C
Show InChI InChI=1/C28H43N5O2/c1-21-6-4-5-7-25(21)27-29-26(22(2)35-27)20-31-14-8-23(9-15-31)28(34)33-18-16-32(17-19-33)24-10-12-30(3)13-11-24/h4-7,22-24,26H,8-20H2,1-3H3
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n/an/an/an/a 3.20E+3n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345876
PNG
(US10202367, Compound 22)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1ccc(C)c(C)c1
Show InChI InChI=1/C29H46N4O2/c1-20-15-21(2)18-33(17-20)12-6-11-30-28(34)25-9-13-32(14-10-25)19-27-24(5)35-29(31-27)26-8-7-22(3)23(4)16-26/h7-8,16,20-21,24-25,27H,6,9-15,17-19H2,1-5H3,(H,30,34)/t20-,21+,24?,27?
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n/an/an/an/a 98n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345878
PNG
(US10202367, Compound 24)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1cccc(Cl)c1
Show InChI InChI=1/C27H41ClN4O2/c1-19-14-20(2)17-32(16-19)11-5-10-29-26(33)22-8-12-31(13-9-22)18-25-21(3)34-27(30-25)23-6-4-7-24(28)15-23/h4,6-7,15,19-22,25H,5,8-14,16-18H2,1-3H3,(H,29,33)/t19-,20+,21?,25?
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n/an/an/an/a 120n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345822
PNG
(US10202367, Compound 21 | US10202367, Compound 25 ...)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1ccccc1C
Show InChI InChI=1/C28H44N4O2/c1-20-16-21(2)18-32(17-20)13-7-12-29-27(33)24-10-14-31(15-11-24)19-26-23(4)34-28(30-26)25-9-6-5-8-22(25)3/h5-6,8-9,20-21,23-24,26H,7,10-19H2,1-4H3,(H,29,33)/t20-,21+,23?,26?
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n/an/an/an/a 125n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345889
PNG
(US10202367, Compound 35)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1c(Cl)cccc1Cl
Show InChI InChI=1/C27H40Cl2N4O2/c1-18-14-19(2)16-33(15-18)11-5-10-30-26(34)21-8-12-32(13-9-21)17-24-20(3)35-27(31-24)25-22(28)6-4-7-23(25)29/h4,6-7,18-21,24H,5,8-17H2,1-3H3,(H,30,34)/t18-,19+,20?,24?
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n/an/an/an/a 221n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345903
PNG
(US10202367, Compound 49)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1CC(C)(C)CC(C)(C)C1)c1ccccc1C
Show InChI InChI=1/C30H48N4O2/c1-22-10-7-8-11-25(22)28-32-26(23(2)36-28)18-33-16-12-24(13-17-33)27(35)31-14-9-15-34-20-29(3,4)19-30(5,6)21-34/h7-8,10-11,23-24,26H,9,12-21H2,1-6H3,(H,31,35)
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n/an/an/an/a 83n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345908
PNG
(US10202367, Compound 54)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1CC2CCCC(C2)C1)c1ccccc1C
Show InChI InChI=1/C29H44N4O2/c1-21-7-3-4-10-26(21)29-31-27(22(2)35-29)20-32-15-11-25(12-16-32)28(34)30-13-6-14-33-18-23-8-5-9-24(17-23)19-33/h3-4,7,10,22-25,27H,5-6,8-9,11-20H2,1-2H3,(H,30,34)
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n/an/an/an/a 106n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345893
PNG
(US10202367, Compound 39 | US10202367, Compound 62)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1c(C)ccc2ccccc12
Show InChI InChI=1/C32H46N4O2/c1-22-18-23(2)20-36(19-22)15-7-14-33-31(37)27-12-16-35(17-13-27)21-29-25(4)38-32(34-29)30-24(3)10-11-26-8-5-6-9-28(26)30/h5-6,8-11,22-23,25,27,29H,7,12-21H2,1-4H3,(H,33,37)/t22-,23+,25?,29?
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n/an/an/an/a 97n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345923
PNG
(US10202367, Compound 69)
Show SMILES CC1CCCN(CCCNC(=O)C2CCN(Cc3oc(nc3C(F)(F)F)-c3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)C1
Show InChI InChI=1/C28H33F9N4O2/c1-17-4-2-8-40(15-17)9-3-7-38-24(42)18-5-10-41(11-6-18)16-22-23(28(35,36)37)39-25(43-22)19-12-20(26(29,30)31)14-21(13-19)27(32,33)34/h12-14,17-18H,2-11,15-16H2,1H3,(H,38,42)
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n/an/an/an/a 341n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345860
PNG
(US10202367, Compound 6)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1CCCC(C)C1)c1ccccc1C
Show InChI InChI=1/C27H42N4O2/c1-20-8-6-14-30(18-20)15-7-13-28-26(32)23-11-16-31(17-12-23)19-25-22(3)33-27(29-25)24-10-5-4-9-21(24)2/h4-5,9-10,20,22-23,25H,6-8,11-19H2,1-3H3,(H,28,32)
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n/an/an/an/a 42n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345865
PNG
(US10202367, Compound 11)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCN1CCCCC1)c1ccccc1C
Show InChI InChI=1/C25H38N4O2/c1-19-8-4-5-9-22(19)25-27-23(20(2)31-25)18-29-15-10-21(11-16-29)24(30)26-12-17-28-13-6-3-7-14-28/h4-5,8-9,20-21,23H,3,6-7,10-18H2,1-2H3,(H,26,30)
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n/an/an/an/a 1.20E+3n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345870
PNG
(US10202367, Compound 16)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1ccc(Cl)cc1
Show InChI InChI=1/C27H41ClN4O2/c1-19-15-20(2)17-32(16-19)12-4-11-29-26(33)22-9-13-31(14-10-22)18-25-21(3)34-27(30-25)23-5-7-24(28)8-6-23/h5-8,19-22,25H,4,9-18H2,1-3H3,(H,29,33)/t19-,20+,21?,25?
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n/an/an/an/a 110n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345874
PNG
(US10202367, Compound 20)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCN1C[C@@H](C)C[C@@H](C)C1)c1ccccc1C
Show InChI InChI=1/C27H42N4O2/c1-19-15-20(2)17-31(16-19)14-11-28-26(32)23-9-12-30(13-10-23)18-25-22(4)33-27(29-25)24-8-6-5-7-21(24)3/h5-8,19-20,22-23,25H,9-18H2,1-4H3,(H,28,32)/t19-,20+,22?,25?
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n/an/an/an/a 170n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345877
PNG
(US10202367, Compound 23)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1c(C)cccc1C
Show InChI InChI=1/C29H46N4O2/c1-20-16-21(2)18-33(17-20)13-7-12-30-28(34)25-10-14-32(15-11-25)19-26-24(5)35-29(31-26)27-22(3)8-6-9-23(27)4/h6,8-9,20-21,24-26H,7,10-19H2,1-5H3,(H,30,34)/t20-,21+,24?,26?
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n/an/an/an/a 51n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345887
PNG
(US10202367, Compound 33)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1c(F)cccc1Cl
Show InChI InChI=1/C27H40ClFN4O2/c1-18-14-19(2)16-33(15-18)11-5-10-30-26(34)21-8-12-32(13-9-21)17-24-20(3)35-27(31-24)25-22(28)6-4-7-23(25)29/h4,6-7,18-21,24H,5,8-17H2,1-3H3,(H,30,34)/t18-,19+,20?,24?
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n/an/an/an/a 334n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345888
PNG
(US10202367, Compound 34)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1cc(C)ccc1C
Show InChI InChI=1/C29H46N4O2/c1-20-7-8-23(4)26(16-20)29-31-27(24(5)35-29)19-32-13-9-25(10-14-32)28(34)30-11-6-12-33-17-21(2)15-22(3)18-33/h7-8,16,21-22,24-25,27H,6,9-15,17-19H2,1-5H3,(H,30,34)/t21-,22+,24?,27?
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n/an/an/an/a 93n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345890
PNG
(US10202367, Compound 36)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1c2ccccc2cc2ccccc12
Show InChI InChI=1/C35H46N4O2/c1-24-19-25(2)22-39(21-24)16-8-15-36-34(40)27-13-17-38(18-14-27)23-32-26(3)41-35(37-32)33-30-11-6-4-9-28(30)20-29-10-5-7-12-31(29)33/h4-7,9-12,20,24-27,32H,8,13-19,21-23H2,1-3H3,(H,36,40)/t24-,25+,26?,32?
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n/an/an/an/a 214n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345896
PNG
(US10202367, Compound 42)
Show SMILES COc1cccc(Cl)c1C1=NC(CN2CCC(CC2)C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)C(C)O1
Show InChI InChI=1/C28H43ClN4O3/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)22-9-13-32(14-10-22)18-24-21(3)36-28(31-24)26-23(29)7-5-8-25(26)35-4/h5,7-8,19-22,24H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+,21?,24?
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n/an/an/an/a 137n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345899
PNG
(US10202367, Compound 45)
Show SMILES COc1cccc(C)c1C1=NC(CN2CCC(CC2)C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)C(C)O1
Show InChI InChI=1/C29H46N4O3/c1-20-16-21(2)18-33(17-20)13-7-12-30-28(34)24-10-14-32(15-11-24)19-25-23(4)36-29(31-25)27-22(3)8-6-9-26(27)35-5/h6,8-9,20-21,23-25H,7,10-19H2,1-5H3,(H,30,34)/t20-,21+,23?,25?
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n/an/an/an/a 423n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345920
PNG
(US10202367, Compound 66)
Show SMILES C[C@H]1C[C@@H](C)CN(CCCCC(=O)[C@@H]2CCCC(Cc3nc(oc3C)-c3ccccc3C)C2)C1
Show InChI InChI=1/C30H44N2O2/c1-21-16-22(2)20-32(19-21)15-8-7-14-29(33)26-12-9-11-25(17-26)18-28-24(4)34-30(31-28)27-13-6-5-10-23(27)3/h5-6,10,13,21-22,25-26H,7-9,11-12,14-20H2,1-4H3/t21-,22+,25?,26-/s2
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n/an/an/an/a 410n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345866
PNG
(US10202367, Compound 12)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1CCOCC1)c1ccccc1C
Show InChI InChI=1/C25H38N4O3/c1-19-6-3-4-7-22(19)25-27-23(20(2)32-25)18-29-12-8-21(9-13-29)24(30)26-10-5-11-28-14-16-31-17-15-28/h3-4,6-7,20-21,23H,5,8-18H2,1-2H3,(H,26,30)
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n/an/an/an/a 1.90E+3n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345822
PNG
(US10202367, Compound 21 | US10202367, Compound 25 ...)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1ccccc1C
Show InChI InChI=1/C28H44N4O2/c1-20-16-21(2)18-32(17-20)13-7-12-29-27(33)24-10-14-31(15-11-24)19-26-23(4)34-28(30-26)25-9-6-5-8-22(25)3/h5-6,8-9,20-21,23-24,26H,7,10-19H2,1-4H3,(H,29,33)/t20-,21+,23?,26?
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n/an/an/an/a 170n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345885
PNG
(US10202367, Compound 31)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1cccc2ccccc12
Show InChI InChI=1/C31H44N4O2/c1-22-18-23(2)20-35(19-22)15-7-14-32-30(36)26-12-16-34(17-13-26)21-29-24(3)37-31(33-29)28-11-6-9-25-8-4-5-10-27(25)28/h4-6,8-11,22-24,26,29H,7,12-21H2,1-3H3,(H,32,36)/t22-,23+,24?,29?
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n/an/an/an/a 63n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345900
PNG
(US10202367, Compound 46)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1c(C)cccc1F
Show InChI InChI=1/C28H43FN4O2/c1-19-15-20(2)17-33(16-19)12-6-11-30-27(34)23-9-13-32(14-10-23)18-25-22(4)35-28(31-25)26-21(3)7-5-8-24(26)29/h5,7-8,19-20,22-23,25H,6,9-18H2,1-4H3,(H,30,34)/t19-,20+,22?,25?
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n/an/an/an/a 311n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345904
PNG
(US10202367, Compound 50)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1CCC(C)(C)CC1)c1ccccc1
Show InChI InChI=1/C27H42N4O2/c1-21-24(29-26(33-21)23-8-5-4-6-9-23)20-31-16-10-22(11-17-31)25(32)28-14-7-15-30-18-12-27(2,3)13-19-30/h4-6,8-9,21-22,24H,7,10-20H2,1-3H3,(H,28,32)
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n/an/an/an/a 66n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345906
PNG
(US10202367, Compound 52)
Show SMILES CC(C)C1CCCN(CCCNC(=O)C2CCN(CC3N=C(OC3C)c3ccccc3C)CC2)C1
Show InChI InChI=1/C29H46N4O2/c1-21(2)25-10-7-15-32(19-25)16-8-14-30-28(34)24-12-17-33(18-13-24)20-27-23(4)35-29(31-27)26-11-6-5-9-22(26)3/h5-6,9,11,21,23-25,27H,7-8,10,12-20H2,1-4H3,(H,30,34)
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n/an/an/an/a 54n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345907
PNG
(US10202367, Compound 53)
Show SMILES CC(C)CC1CCCN(CCCNC(=O)C2CCN(CC3N=C(OC3C)c3ccccc3C)CC2)C1
Show InChI InChI=1/C30H48N4O2/c1-22(2)19-25-10-7-15-33(20-25)16-8-14-31-29(35)26-12-17-34(18-13-26)21-28-24(4)36-30(32-28)27-11-6-5-9-23(27)3/h5-6,9,11,22,24-26,28H,7-8,10,12-21H2,1-4H3,(H,31,35)
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n/an/an/an/a 94n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM345913
PNG
(US10202367, Compound 59)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1CCCC(C)C1)c1c(C)cccc1Cl
Show InChI InChI=1/C27H41ClN4O2/c1-19-7-5-13-31(17-19)14-6-12-29-26(33)22-10-15-32(16-11-22)18-24-21(3)34-27(30-24)25-20(2)8-4-9-23(25)28/h4,8-9,19,21-22,24H,5-7,10-18H2,1-3H3,(H,29,33)
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n/an/an/an/a 370n/an/an/an/a



The United States of America, as represented by the Secretary, Department of Health and Human Services

US Patent


Assay Description
This example demonstrates the EC50 and CC50 values against HCV according to the HCVcc-RLuc reporter assay described in Example 5 and the cytotoxicity...


US Patent US10202367 (2019)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%