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Compile Data Set for Download or QSAR

Found 76 hits of ec50 for UniProtKB: P26660   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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...)
BDBM50196926
PNG
(CHEMBL438139 | Rocaglamide | US10085988, Compound ...)
Show SMILES COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C |r|
Show InChI InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1
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US Patent
n/an/an/an/a 4n/an/a8.0n/a



SRI International; Trustees of Boston University

US Patent


Assay Description
Huh7.5.1 cells from four 150 mm plates were treated with DMSO, Roc-A (20 nM), or infected by HCVcc. 48 h post-transfection, cells were washed three t...


US Patent US10085988 (2018)


BindingDB Entry DOI: 10.7270/Q2WM1GFW
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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r|
Show InChI InChI=1S/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; University of Kansas

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)


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 |c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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?/m1/s1
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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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |c:19|
Show InChI InChI=1S/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; University of Kansas

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)


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 |c:20|
Show InChI InChI=1S/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; University of Kansas

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)


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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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?/m0/s1
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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; University of Kansas

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)


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 |c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |c:21|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM287781
PNG
(US10085988, Compound (+-) aglaroxin C (C10))
Show SMILES COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)c1nc3CCCn3c(=O)c1[C@H]2c1ccccc1 |r|
Show InChI InChI=1S/C31H28N2O6/c1-36-20-13-11-19(12-14-20)31-26(18-8-5-4-6-9-18)25-28(32-24-10-7-15-33(24)29(25)34)30(31,35)27-22(38-3)16-21(37-2)17-23(27)39-31/h4-6,8-9,11-14,16-17,26,35H,7,10,15H2,1-3H3/t26-,30+,31+/m1/s1
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n/an/an/an/a 100n/an/a8.0n/a



SRI International; Trustees of Boston University

US Patent


Assay Description
Huh7.5.1 cells from four 150 mm plates were treated with DMSO, Roc-A (20 nM), or infected by HCVcc. 48 h post-transfection, cells were washed three t...


US Patent US10085988 (2018)


BindingDB Entry DOI: 10.7270/Q2WM1GFW
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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |c:19|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,t:10|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,t:9|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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?/m1/s1
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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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


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 |c:17|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:21|
Show InChI InChI=1S/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; University of Kansas

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)


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 |r,c:3|
Show InChI InChI=1S/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; University of Kansas

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)


BindingDB Entry DOI: 10.7270/Q23B6277
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 2a (isolate HC-J6) (HCV...)
BDBM287783
PNG
(US10085988, Compound (-)-aglaroxin C)
Show SMILES COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)c1nc3CCCn3c(=O)c1[C@H]2c1ccccc1 |r|
Show InChI InChI=1S/C31H28N2O6/c1-36-20-13-11-19(12-14-20)31-26(18-8-5-4-6-9-18)25-28(32-24-10-7-15-33(24)29(25)34)30(31,35)27-22(38-3)16-21(37-2)17-23(27)39-31/h4-6,8-9,11-14,16-17,26,35H,7,10,15H2,1-3H3/t26-,30+,31+/m1/s1
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n/an/an/an/a 200n/an/a8.0n/a



SRI International; Trustees of Boston University

US Patent


Assay Description
Huh7.5.1 cells from four 150 mm plates were treated with DMSO, Roc-A (20 nM), or infected by HCVcc. 48 h post-transfection, cells were washed three t...


US Patent US10085988 (2018)


BindingDB Entry DOI: 10.7270/Q2WM1GFW
More data for this
Ligand-Target Pair
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