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Compile Data Set for Download or QSAR

Found 71 hits Enz. Inhib. hit(s) with all data for entry = 1881   
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...)		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...)		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...)		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...)		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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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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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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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...)		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 |t:11|
Show InChI InChI=1S/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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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...)		BDBM345862
PNG
(US10202367, Compound 8)
Show SMILES CCN(CC)CCCCNC(=O)C1CCN(CC2N=C(OC2C)c2cc(OC)cc(OC)c2)CC1 |c:18|
Show InChI InChI=1S/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; 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...)		BDBM345863
PNG
(US10202367, Compound 9)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1CCCCC1)c1ccccc1C |c:3|
Show InChI InChI=1S/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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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...)		BDBM345864
PNG
(US10202367, Compound 10)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1CCC(C)CC1)c1ccccc1C |c:3|
Show InChI InChI=1S/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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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...)		BDBM345865
PNG
(US10202367, Compound 11)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCN1CCCCC1)c1ccccc1C |c:3|
Show InChI InChI=1S/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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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...)		BDBM345866
PNG
(US10202367, Compound 12)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1CCOCC1)c1ccccc1C |c:3|
Show InChI InChI=1S/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; 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...)		BDBM345867
PNG
(US10202367, Compound 13)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)N1CCN(CC1)C1CCN(C)CC1)c1ccccc1C |c:3|
Show InChI InChI=1S/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; 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...)		BDBM345868
PNG
(US10202367, Compound 14)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)N1CCN(CCN(C)C)CC1)c1ccccc1C |c:3|
Show InChI InChI=1S/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; 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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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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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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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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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...)		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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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?
PDB

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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...)		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...)		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...)		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...)		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...)		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...)		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...)		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...)		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...)		BDBM345884
PNG
(US10202367, Compound 30)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1c(F)cccc1F |r,c:3|
Show InChI InChI=1S/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; 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...)		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...)		BDBM345887
PNG
(US10202367, Compound 33)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1c(F)cccc1Cl |r,c:3|
Show InChI InChI=1S/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; 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...)		BDBM345889
PNG
(US10202367, Compound 35)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1c(Cl)cccc1Cl |r,c:3|
Show InChI InChI=1S/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; 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...)		BDBM345890
PNG
(US10202367, Compound 36)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1c2ccccc2cc2ccccc12 |r,c:3|
Show InChI InChI=1S/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; 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...)		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 |r,t:11|
Show InChI InChI=1S/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; 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...)		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 |r,t:10|
Show InChI InChI=1S/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; 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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US Patent
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...)		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 |r,t:10|
Show InChI InChI=1S/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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US Patent
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; 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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US Patent
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...)		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...)		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 386n/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...)		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 |r,c:3|
Show InChI InChI=1S/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; 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...)		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 |r,t:10|
Show InChI InChI=1S/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; 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...)		BDBM345900
PNG
(US10202367, Compound 46)
Show SMILES CC1OC(=NC1CN1CCC(CC1)C(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1)c1c(C)cccc1F |r,c:3|
Show InChI InChI=1S/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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US Patent
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; 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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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...)		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...)		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
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