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Compile Data Set for Download or QSAR

Found 43 hits of ec50 data for polymerid = 5255   
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)		BDBM50452540
PNG
(CHEMBL4215698)
Show SMILES COc1cc2ccc3cc2cc1CCCC(C)(C)CCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C41H56N4O9S/c1-9-28-22-41(28,36(48)44-55(50,51)30-14-15-30)43-34(46)31-23-40(53-8)24-45(31)35(47)33(38(2,3)4)42-37(49)54-18-17-39(5,6)16-10-11-26-19-27-20-29(40)13-12-25(27)21-32(26)52-7/h9,12-13,19-21,28,30-31,33H,1,10-11,14-18,22-24H2,2-8H3,(H,42,49)(H,43,46)(H,44,48)/t28-,31+,33-,40+,41-/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452517
PNG
(CHEMBL4202696)
Show SMILES COc1cc2ccc3cc2cc1CCCCCCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C39H52N4O9S/c1-7-27-21-39(27,35(46)42-53(48,49)29-15-16-29)41-33(44)30-22-38(51-6)23-43(30)34(45)32(37(2,3)4)40-36(47)52-17-11-9-8-10-12-25-18-26-19-28(38)14-13-24(26)20-31(25)50-5/h7,13-14,18-20,27,29-30,32H,1,8-12,15-17,21-23H2,2-6H3,(H,40,47)(H,41,44)(H,42,46)/t27-,30+,32-,38+,39-/m1/s1
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n/an/an/an/a 0.300n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452540
PNG
(CHEMBL4215698)
Show SMILES COc1cc2ccc3cc2cc1CCCC(C)(C)CCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C41H56N4O9S/c1-9-28-22-41(28,36(48)44-55(50,51)30-14-15-30)43-34(46)31-23-40(53-8)24-45(31)35(47)33(38(2,3)4)42-37(49)54-18-17-39(5,6)16-10-11-26-19-27-20-29(40)13-12-25(27)21-32(26)52-7/h9,12-13,19-21,28,30-31,33H,1,10-11,14-18,22-24H2,2-8H3,(H,42,49)(H,43,46)(H,44,48)/t28-,31+,33-,40+,41-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452517
PNG
(CHEMBL4202696)
Show SMILES COc1cc2ccc3cc2cc1CCCCCCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C39H52N4O9S/c1-7-27-21-39(27,35(46)42-53(48,49)29-15-16-29)41-33(44)30-22-38(51-6)23-43(30)34(45)32(37(2,3)4)40-36(47)52-17-11-9-8-10-12-25-18-26-19-28(38)14-13-24(26)20-31(25)50-5/h7,13-14,18-20,27,29-30,32H,1,8-12,15-17,21-23H2,2-6H3,(H,40,47)(H,41,44)(H,42,46)/t27-,30+,32-,38+,39-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452535
PNG
(CHEMBL4205832)
Show SMILES COc1cc2ccc3cc2cc1CCCCCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C38H50N4O9S/c1-7-26-20-38(26,34(45)41-52(47,48)28-14-15-28)40-32(43)29-21-37(50-6)22-42(29)33(44)31(36(2,3)4)39-35(46)51-16-10-8-9-11-24-17-25-18-27(37)13-12-23(25)19-30(24)49-5/h7,12-13,17-19,26,28-29,31H,1,8-11,14-16,20-22H2,2-6H3,(H,39,46)(H,40,43)(H,41,45)/t26-,29+,31-,37+,38-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50198324
PNG
(CHEMBL3933212)
Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)O[C@H](C)C(F)(F)F)C2CCCCC2)C(=O)N[C@@]2(C[C@H]2C2CC2)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C37H45ClF3N5O9S/c1-19(37(39,40)41)54-35(50)43-30(21-6-4-3-5-7-21)33(48)46-18-23(55-32-26-14-22(38)10-13-25(26)29(53-2)17-42-32)15-28(46)31(47)44-36(16-27(36)20-8-9-20)34(49)45-56(51,52)24-11-12-24/h10,13-14,17,19-21,23-24,27-28,30H,3-9,11-12,15-16,18H2,1-2H3,(H,43,50)(H,44,47)(H,45,49)/t19-,23-,27+,28+,30+,36-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452534
PNG
(CHEMBL4210795)
Show SMILES COc1cc2ccc3cc2cc1CCCCCCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C40H54N4O9S/c1-38(2,3)33-35(46)44-23-39(52-5,22-31(44)34(45)42-40(21-30(40)24-11-12-24)36(47)43-54(49,50)29-15-16-29)28-14-13-25-20-32(51-4)26(18-27(25)19-28)10-8-6-7-9-17-53-37(48)41-33/h13-14,18-20,24,29-31,33H,6-12,15-17,21-23H2,1-5H3,(H,41,48)(H,42,45)(H,43,47)/t30-,31-,33+,39-,40+/m0/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50287594
PNG
(Asunaprevir | BMS 650032 | BMS-650032)
Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Genome polyprotein


(Hepatitis C virus)		BDBM50452518
PNG
(CHEMBL4204453)
Show SMILES COc1cc2ccc3cc2cc1CCCCC(C)(C)COC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C41H56N4O9S/c1-9-28-21-41(28,36(48)44-55(50,51)30-15-16-30)43-34(46)31-22-40(53-8)23-45(31)35(47)33(38(2,3)4)42-37(49)54-24-39(5,6)17-11-10-12-26-18-27-19-29(40)14-13-25(27)20-32(26)52-7/h9,13-14,18-20,28,30-31,33H,1,10-12,15-17,21-24H2,2-8H3,(H,42,49)(H,43,46)(H,44,48)/t28-,31+,33-,40+,41-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452534
PNG
(CHEMBL4210795)
Show SMILES COc1cc2ccc3cc2cc1CCCCCCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C40H54N4O9S/c1-38(2,3)33-35(46)44-23-39(52-5,22-31(44)34(45)42-40(21-30(40)24-11-12-24)36(47)43-54(49,50)29-15-16-29)28-14-13-25-20-32(51-4)26(18-27(25)19-28)10-8-6-7-9-17-53-37(48)41-33/h13-14,18-20,24,29-31,33H,6-12,15-17,21-23H2,1-5H3,(H,41,48)(H,42,45)(H,43,47)/t30-,31-,33+,39-,40+/m0/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452535
PNG
(CHEMBL4205832)
Show SMILES COc1cc2ccc3cc2cc1CCCCCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C38H50N4O9S/c1-7-26-20-38(26,34(45)41-52(47,48)28-14-15-28)40-32(43)29-21-37(50-6)22-42(29)33(44)31(36(2,3)4)39-35(46)51-16-10-8-9-11-24-17-25-18-27(37)13-12-23(25)19-30(24)49-5/h7,12-13,17-19,26,28-29,31H,1,8-11,14-16,20-22H2,2-6H3,(H,39,46)(H,40,43)(H,41,45)/t26-,29+,31-,37+,38-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452518
PNG
(CHEMBL4204453)
Show SMILES COc1cc2ccc3cc2cc1CCCCC(C)(C)COC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C41H56N4O9S/c1-9-28-21-41(28,36(48)44-55(50,51)30-15-16-30)43-34(46)31-22-40(53-8)23-45(31)35(47)33(38(2,3)4)42-37(49)54-24-39(5,6)17-11-10-12-26-18-27-19-29(40)14-13-25(27)20-32(26)52-7/h9,13-14,18-20,28,30-31,33H,1,10-12,15-17,21-24H2,2-8H3,(H,42,49)(H,43,46)(H,44,48)/t28-,31+,33-,40+,41-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452545
PNG
(CHEMBL4210743)
Show SMILES COc1cc2ccc3cc2cc1CCCC(C)(C)CCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C42H58N4O9S/c1-39(2,3)34-36(48)46-24-41(54-7,23-32(46)35(47)44-42(22-31(42)25-10-11-25)37(49)45-56(51,52)30-14-15-30)29-13-12-26-21-33(53-6)27(19-28(26)20-29)9-8-16-40(4,5)17-18-55-38(50)43-34/h12-13,19-21,25,30-32,34H,8-11,14-18,22-24H2,1-7H3,(H,43,50)(H,44,47)(H,45,49)/t31-,32-,34+,41-,42+/m0/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50287594
PNG
(Asunaprevir | BMS 650032 | BMS-650032)
Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C35H46ClN5O9S/c1-9-19-16-35(19,31(44)40-51(46,47)22-11-12-22)39-28(42)25-15-21(49-29-24-14-20(36)10-13-23(24)26(48-8)17-37-29)18-41(25)30(43)27(33(2,3)4)38-32(45)50-34(5,6)7/h9-10,13-14,17,19,21-22,25,27H,1,11-12,15-16,18H2,2-8H3,(H,38,45)(H,39,42)(H,40,44)/t19-,21-,25+,27-,35-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Genome polyprotein


(Hepatitis C virus)		BDBM50452538
PNG
(CHEMBL4211245)
Show SMILES COC(=O)N1CCCOc2cc3cc(ccc3cc2OC)[C@@]2(C[C@H](N(C2)C(=O)[C@@H](NC(=O)OCC1)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC |r|
Show InChI InChI=1S/C41H55N5O12S/c1-39(2,3)33-35(48)46-23-40(56-6,22-30(46)34(47)43-41(21-29(41)24-8-9-24)36(49)44-59(52,53)28-12-13-28)27-11-10-25-19-31(54-4)32(20-26(25)18-27)57-16-7-14-45(38(51)55-5)15-17-58-37(50)42-33/h10-11,18-20,24,28-30,33H,7-9,12-17,21-23H2,1-6H3,(H,42,50)(H,43,47)(H,44,49)/t29-,30-,33+,40-,41+/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50198324
PNG
(CHEMBL3933212)
Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)O[C@H](C)C(F)(F)F)C2CCCCC2)C(=O)N[C@@]2(C[C@H]2C2CC2)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C37H45ClF3N5O9S/c1-19(37(39,40)41)54-35(50)43-30(21-6-4-3-5-7-21)33(48)46-18-23(55-32-26-14-22(38)10-13-25(26)29(53-2)17-42-32)15-28(46)31(47)44-36(16-27(36)20-8-9-20)34(49)45-56(51,52)24-11-12-24/h10,13-14,17,19-21,23-24,27-28,30H,3-9,11-12,15-16,18H2,1-2H3,(H,43,50)(H,44,47)(H,45,49)/t19-,23-,27+,28+,30+,36-/m1/s1
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n/an/an/an/a 4.5n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452543
PNG
(CHEMBL4207524)
Show SMILES COc1cc2ccc3cc2cc1OCCCN(CCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C)C1CC1 |r|
Show InChI InChI=1S/C42H57N5O10S/c1-40(2,3)35-37(49)47-24-41(55-5,23-32(47)36(48)44-42(22-31(42)25-7-8-25)38(50)45-58(52,53)30-13-14-30)28-10-9-26-20-33(54-4)34(21-27(26)19-28)56-17-6-15-46(29-11-12-29)16-18-57-39(51)43-35/h9-10,19-21,25,29-32,35H,6-8,11-18,22-24H2,1-5H3,(H,43,51)(H,44,48)(H,45,50)/t31-,32-,35+,41-,42+/m0/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452547
PNG
(CHEMBL4209552)
Show SMILES COc1cc2ccc3cc2cc1CCCCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C37H48N4O9S/c1-7-25-19-37(25,33(44)40-51(46,47)27-13-14-27)39-31(42)28-20-36(49-6)21-41(28)32(43)30(35(2,3)4)38-34(45)50-15-9-8-10-23-16-24-17-26(36)12-11-22(24)18-29(23)48-5/h7,11-12,16-18,25,27-28,30H,1,8-10,13-15,19-21H2,2-6H3,(H,38,45)(H,39,42)(H,40,44)/t25-,28+,30-,36+,37-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452545
PNG
(CHEMBL4210743)
Show SMILES COc1cc2ccc3cc2cc1CCCC(C)(C)CCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C42H58N4O9S/c1-39(2,3)34-36(48)46-24-41(54-7,23-32(46)35(47)44-42(22-31(42)25-10-11-25)37(49)45-56(51,52)30-14-15-30)29-13-12-26-21-33(53-6)27(19-28(26)20-29)9-8-16-40(4,5)17-18-55-38(50)43-34/h12-13,19-21,25,30-32,34H,8-11,14-18,22-24H2,1-7H3,(H,43,50)(H,44,47)(H,45,49)/t31-,32-,34+,41-,42+/m0/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452522
PNG
(CHEMBL4211655)
Show SMILES CO[C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)OCCCCCOc1ccc3ccc2cc3c1)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C37H48N4O9S/c1-6-25-20-37(25,33(44)40-51(46,47)28-14-15-28)39-31(42)29-21-36(48-5)22-41(29)32(43)30(35(2,3)4)38-34(45)50-17-9-7-8-16-49-27-13-11-23-10-12-26(36)18-24(23)19-27/h6,10-13,18-19,25,28-30H,1,7-9,14-17,20-22H2,2-5H3,(H,38,45)(H,39,42)(H,40,44)/t25-,29+,30-,36+,37-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452539
PNG
(CHEMBL4213684)
Show SMILES COc1cc2ccc3cc2cc1CCCCC(C)(C)COC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C42H58N4O9S/c1-39(2,3)34-36(48)46-23-41(54-7,22-32(46)35(47)44-42(21-31(42)25-11-12-25)37(49)45-56(51,52)30-15-16-30)29-14-13-26-20-33(53-6)27(18-28(26)19-29)10-8-9-17-40(4,5)24-55-38(50)43-34/h13-14,18-20,25,30-32,34H,8-12,15-17,21-24H2,1-7H3,(H,43,50)(H,44,47)(H,45,49)/t31-,32-,34+,41-,42+/m0/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452539
PNG
(CHEMBL4213684)
Show SMILES COc1cc2ccc3cc2cc1CCCCC(C)(C)COC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C42H58N4O9S/c1-39(2,3)34-36(48)46-23-41(54-7,22-32(46)35(47)44-42(21-31(42)25-11-12-25)37(49)45-56(51,52)30-15-16-30)29-14-13-26-20-33(53-6)27(18-28(26)19-29)10-8-9-17-40(4,5)24-55-38(50)43-34/h13-14,18-20,25,30-32,34H,8-12,15-17,21-24H2,1-7H3,(H,43,50)(H,44,47)(H,45,49)/t31-,32-,34+,41-,42+/m0/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452522
PNG
(CHEMBL4211655)
Show SMILES CO[C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)OCCCCCOc1ccc3ccc2cc3c1)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C37H48N4O9S/c1-6-25-20-37(25,33(44)40-51(46,47)28-14-15-28)39-31(42)29-21-36(48-5)22-41(29)32(43)30(35(2,3)4)38-34(45)50-17-9-7-8-16-49-27-13-11-23-10-12-26(36)18-24(23)19-27/h6,10-13,18-19,25,28-30H,1,7-9,14-17,20-22H2,2-5H3,(H,38,45)(H,39,42)(H,40,44)/t25-,29+,30-,36+,37-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452543
PNG
(CHEMBL4207524)
Show SMILES COc1cc2ccc3cc2cc1OCCCN(CCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C)C1CC1 |r|
Show InChI InChI=1S/C42H57N5O10S/c1-40(2,3)35-37(49)47-24-41(55-5,23-32(47)36(48)44-42(22-31(42)25-7-8-25)38(50)45-58(52,53)30-13-14-30)28-10-9-26-20-33(54-4)34(21-27(26)19-28)56-17-6-15-46(29-11-12-29)16-18-57-39(51)43-35/h9-10,19-21,25,29-32,35H,6-8,11-18,22-24H2,1-5H3,(H,43,51)(H,44,48)(H,45,50)/t31-,32-,35+,41-,42+/m0/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452547
PNG
(CHEMBL4209552)
Show SMILES COc1cc2ccc3cc2cc1CCCCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C37H48N4O9S/c1-7-25-19-37(25,33(44)40-51(46,47)27-13-14-27)39-31(42)28-20-36(49-6)21-41(28)32(43)30(35(2,3)4)38-34(45)50-15-9-8-10-23-16-24-17-26(36)12-11-22(24)18-29(23)48-5/h7,11-12,16-18,25,27-28,30H,1,8-10,13-15,19-21H2,2-6H3,(H,38,45)(H,39,42)(H,40,44)/t25-,28+,30-,36+,37-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452546
PNG
(CHEMBL4216353)
Show SMILES COc1cc2ccc3cc2cc1CCCCCCCCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C41H56N4O9S/c1-7-29-23-41(29,37(48)44-55(50,51)31-17-18-31)43-35(46)32-24-40(53-6)25-45(32)36(47)34(39(2,3)4)42-38(49)54-19-13-11-9-8-10-12-14-27-20-28-21-30(40)16-15-26(28)22-33(27)52-5/h7,15-16,20-22,29,31-32,34H,1,8-14,17-19,23-25H2,2-6H3,(H,42,49)(H,43,46)(H,44,48)/t29-,32+,34-,40+,41-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452538
PNG
(CHEMBL4211245)
Show SMILES COC(=O)N1CCCOc2cc3cc(ccc3cc2OC)[C@@]2(C[C@H](N(C2)C(=O)[C@@H](NC(=O)OCC1)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC |r|
Show InChI InChI=1S/C41H55N5O12S/c1-39(2,3)33-35(48)46-23-40(56-6,22-30(46)34(47)43-41(21-29(41)24-8-9-24)36(49)44-59(52,53)28-12-13-28)27-11-10-25-19-31(54-4)32(20-26(25)18-27)57-16-7-14-45(38(51)55-5)15-17-58-37(50)42-33/h10-11,18-20,24,28-30,33H,7-9,12-17,21-23H2,1-6H3,(H,42,50)(H,43,47)(H,44,49)/t29-,30-,33+,40-,41+/m0/s1
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n/an/an/an/a 18n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452546
PNG
(CHEMBL4216353)
Show SMILES COc1cc2ccc3cc2cc1CCCCCCCCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C41H56N4O9S/c1-7-29-23-41(29,37(48)44-55(50,51)31-17-18-31)43-35(46)32-24-40(53-6)25-45(32)36(47)34(39(2,3)4)42-38(49)54-19-13-11-9-8-10-12-14-27-20-28-21-30(40)16-15-26(28)22-33(27)52-5/h7,15-16,20-22,29,31-32,34H,1,8-14,17-19,23-25H2,2-6H3,(H,42,49)(H,43,46)(H,44,48)/t29-,32+,34-,40+,41-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452521
PNG
(CHEMBL4216640)
Show SMILES CO[C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)OCCCCCOc1ccc3ccc2cc3c1)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C38H50N4O9S/c1-36(2,3)31-33(44)42-22-37(49-4,26-12-10-23-11-13-27(19-25(23)18-26)50-16-6-5-7-17-51-35(46)39-31)21-30(42)32(43)40-38(20-29(38)24-8-9-24)34(45)41-52(47,48)28-14-15-28/h10-13,18-19,24,28-31H,5-9,14-17,20-22H2,1-4H3,(H,39,46)(H,40,43)(H,41,45)/t29-,30-,31+,37-,38+/m0/s1
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n/an/an/an/a 27n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452523
PNG
(CHEMBL4212349)
Show SMILES COc1ccc2cc(ccc2c1)[C@@]1(C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC |r|
Show InChI InChI=1S/C37H50N4O9S/c1-10-24-19-37(24,32(44)40-51(46,47)27-15-16-27)39-30(42)28-20-36(49-9,25-13-11-23-18-26(48-8)14-12-22(23)17-25)21-41(28)31(43)29(34(2,3)4)38-33(45)50-35(5,6)7/h10-14,17-18,24,27-29H,1,15-16,19-21H2,2-9H3,(H,38,45)(H,39,42)(H,40,44)/t24-,28+,29-,36+,37-/m1/s1
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n/an/an/an/a 34n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452521
PNG
(CHEMBL4216640)
Show SMILES CO[C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)OCCCCCOc1ccc3ccc2cc3c1)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C38H50N4O9S/c1-36(2,3)31-33(44)42-22-37(49-4,26-12-10-23-11-13-27(19-25(23)18-26)50-16-6-5-7-17-51-35(46)39-31)21-30(42)32(43)40-38(20-29(38)24-8-9-24)34(45)41-52(47,48)28-14-15-28/h10-13,18-19,24,28-31H,5-9,14-17,20-22H2,1-4H3,(H,39,46)(H,40,43)(H,41,45)/t29-,30-,31+,37-,38+/m0/s1
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n/an/an/an/a 35n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452533
PNG
(CHEMBL4211385)
Show SMILES COc1cc2ccc3cc2cc1CCCCCCCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C40H54N4O9S/c1-7-28-22-40(28,36(47)43-54(49,50)30-16-17-30)42-34(45)31-23-39(52-6)24-44(31)35(46)33(38(2,3)4)41-37(48)53-18-12-10-8-9-11-13-26-19-27-20-29(39)15-14-25(27)21-32(26)51-5/h7,14-15,19-21,28,30-31,33H,1,8-13,16-18,22-24H2,2-6H3,(H,41,48)(H,42,45)(H,43,47)/t28-,31+,33-,39+,40-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452536
PNG
(CHEMBL4215939)
Show SMILES COc1cc2ccc(cc2cc1C=C)[C@@]1(C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC |r|
Show InChI InChI=1S/C39H52N4O9S/c1-11-23-17-25-18-27(14-13-24(25)19-30(23)50-9)38(51-10)21-29(43(22-38)33(45)31(36(3,4)5)40-35(47)52-37(6,7)8)32(44)41-39(20-26(39)12-2)34(46)42-53(48,49)28-15-16-28/h11-14,17-19,26,28-29,31H,1-2,15-16,20-22H2,3-10H3,(H,40,47)(H,41,44)(H,42,46)/t26-,29+,31-,38+,39-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452528
PNG
(CHEMBL4217267)
Show SMILES COc1cc2ccc3cc2cc1OCCCN(C)CCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C14H19N/c1-3-4-8-11-15-12-13(2)14-9-6-5-7-10-14/h3,5-10,13,15H,11-12H2,1-2H3/t4?,13-/m1/s1
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n/an/an/an/a 52n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452523
PNG
(CHEMBL4212349)
Show SMILES COc1ccc2cc(ccc2c1)[C@@]1(C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC |r|
Show InChI InChI=1S/C37H50N4O9S/c1-10-24-19-37(24,32(44)40-51(46,47)27-15-16-27)39-30(42)28-20-36(49-9,25-13-11-23-18-26(48-8)14-12-22(23)17-25)21-41(28)31(43)29(34(2,3)4)38-33(45)50-35(5,6)7/h10-14,17-18,24,27-29H,1,15-16,19-21H2,2-9H3,(H,38,45)(H,39,42)(H,40,44)/t24-,28+,29-,36+,37-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452542
PNG
(CHEMBL4207303)
Show SMILES COc1cc2ccc3cc2cc1OCCCN(CCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C)C(C)C |r|
Show InChI InChI=1S/C42H59N5O10S/c1-25(2)46-15-8-17-56-34-21-28-19-29(12-11-27(28)20-33(34)54-6)41(55-7)23-32(47(24-41)37(49)35(40(3,4)5)43-39(51)57-18-16-46)36(48)44-42(22-31(42)26-9-10-26)38(50)45-58(52,53)30-13-14-30/h11-12,19-21,25-26,30-32,35H,8-10,13-18,22-24H2,1-7H3,(H,43,51)(H,44,48)(H,45,50)/t31-,32-,35+,41-,42+/m0/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452528
PNG
(CHEMBL4217267)
Show SMILES COc1cc2ccc3cc2cc1OCCCN(C)CCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C14H19N/c1-3-4-8-11-15-12-13(2)14-9-6-5-7-10-14/h3,5-10,13,15H,11-12H2,1-2H3/t4?,13-/m1/s1
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n/an/an/an/a 69n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452533
PNG
(CHEMBL4211385)
Show SMILES COc1cc2ccc3cc2cc1CCCCCCCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C |r|
Show InChI InChI=1S/C40H54N4O9S/c1-7-28-22-40(28,36(47)43-54(49,50)30-16-17-30)42-34(45)31-23-39(52-6)24-44(31)35(46)33(38(2,3)4)41-37(48)53-18-12-10-8-9-11-13-26-19-27-20-29(39)15-14-25(27)21-32(26)51-5/h7,14-15,19-21,28,30-31,33H,1,8-13,16-18,22-24H2,2-6H3,(H,41,48)(H,42,45)(H,43,47)/t28-,31+,33-,39+,40-/m1/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452542
PNG
(CHEMBL4207303)
Show SMILES COc1cc2ccc3cc2cc1OCCCN(CCOC(=O)N[C@H](C(=O)N1C[C@]3(C[C@H]1C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC)C(C)(C)C)C(C)C |r|
Show InChI InChI=1S/C42H59N5O10S/c1-25(2)46-15-8-17-56-34-21-28-19-29(12-11-27(28)20-33(34)54-6)41(55-7)23-32(47(24-41)37(49)35(40(3,4)5)43-39(51)57-18-16-46)36(48)44-42(22-31(42)26-9-10-26)38(50)45-58(52,53)30-13-14-30/h11-12,19-21,25-26,30-32,35H,8-10,13-18,22-24H2,1-7H3,(H,43,51)(H,44,48)(H,45,50)/t31-,32-,35+,41-,42+/m0/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452541
PNG
(CHEMBL4217305)
Show SMILES COc1ccc2cc(ccc2c1)[C@@]1(C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC |r|
Show InChI InChI=1S/C38H52N4O9S/c1-35(2,3)30(39-34(46)51-36(4,5)6)32(44)42-21-37(50-8,25-13-11-24-18-26(49-7)14-12-23(24)17-25)20-29(42)31(43)40-38(19-28(38)22-9-10-22)33(45)41-52(47,48)27-15-16-27/h11-14,17-18,22,27-30H,9-10,15-16,19-21H2,1-8H3,(H,39,46)(H,40,43)(H,41,45)/t28-,29-,30+,37-,38+/m0/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452541
PNG
(CHEMBL4217305)
Show SMILES COc1ccc2cc(ccc2c1)[C@@]1(C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC |r|
Show InChI InChI=1S/C38H52N4O9S/c1-35(2,3)30(39-34(46)51-36(4,5)6)32(44)42-21-37(50-8,25-13-11-24-18-26(49-7)14-12-23(24)17-25)20-29(42)31(43)40-38(19-28(38)22-9-10-22)33(45)41-52(47,48)27-15-16-27/h11-14,17-18,22,27-30H,9-10,15-16,19-21H2,1-8H3,(H,39,46)(H,40,43)(H,41,45)/t28-,29-,30+,37-,38+/m0/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452537
PNG
(CHEMBL4212654)
Show SMILES COc1ccc2cc(ccc2c1)[C@@]1(C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC |r|
Show InChI InChI=1S/C38H49F3N4O9S/c1-34(2,3)29(42-33(49)54-35(4,5)38(39,40)41)31(47)45-20-36(53-7,24-12-10-23-17-25(52-6)13-11-22(23)16-24)19-28(45)30(46)43-37(18-27(37)21-8-9-21)32(48)44-55(50,51)26-14-15-26/h10-13,16-17,21,26-29H,8-9,14-15,18-20H2,1-7H3,(H,42,49)(H,43,46)(H,44,48)/t27-,28-,29+,36-,37+/m0/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50452537
PNG
(CHEMBL4212654)
Show SMILES COc1ccc2cc(ccc2c1)[C@@]1(C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C1CC1)C(=O)NS(=O)(=O)C1CC1)OC |r|
Show InChI InChI=1S/C38H49F3N4O9S/c1-34(2,3)29(42-33(49)54-35(4,5)38(39,40)41)31(47)45-20-36(53-7,24-12-10-23-17-25(52-6)13-11-22(23)16-24)19-28(45)30(46)43-37(18-27(37)21-8-9-21)32(48)44-55(50,51)26-14-15-26/h10-13,16-17,21,26-29H,8-9,14-15,18-20H2,1-7H3,(H,42,49)(H,43,46)(H,44,48)/t27-,28-,29+,36-,37+/m0/s1
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Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...

Bioorg Med Chem Lett 28: 43-48 (2018)


Article DOI: 10.1016/j.bmcl.2017.11.005
BindingDB Entry DOI: 10.7270/Q2KP84RB
More data for this
Ligand-Target Pair