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Patent code US9422333

Compile Data Set for Download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Genome polyprotein [1027-1207,D168A]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241941
PNG
(US9422333, I-6)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])-[#6](=O)-[#7]-1-[#6]-[#6]2-[#6@@H](-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-1-[#6]-[#6]-[#6]-1)-[#6](=O)-[#6](-[#7])=O)C2([#6])[#6] |r,w:27.28|
Show InChI InChI=1S/C30H46N4O7/c1-16(2)13-18(35)11-12-20(33-28(40)41-29(3,4)5)27(39)34-15-19-22(30(19,6)7)23(34)26(38)32-21(24(36)25(31)37)14-17-9-8-10-17/h13,17,19-23H,8-12,14-15H2,1-7H3,(H2,31,37)(H,32,38)(H,33,40)/t19?,20-,21?,22-,23-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 25n/an/an/an/a7.825



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_02) from In Vitro Resistance Studies of HCV Serine Protease Inhibitors, 2004, JBC, vol. 279, No. 17, p...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241941
PNG
(US9422333, I-6)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])-[#6](=O)-[#7]-1-[#6]-[#6]2-[#6@@H](-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-1-[#6]-[#6]-[#6]-1)-[#6](=O)-[#6](-[#7])=O)C2([#6])[#6] |r,w:27.28|
Show InChI InChI=1S/C30H46N4O7/c1-16(2)13-18(35)11-12-20(33-28(40)41-29(3,4)5)27(39)34-15-19-22(30(19,6)7)23(34)26(38)32-21(24(36)25(31)37)14-17-9-8-10-17/h13,17,19-23H,8-12,14-15H2,1-7H3,(H2,31,37)(H,32,38)(H,33,40)/t19?,20-,21?,22-,23-/m0/s1
PDB

UniProtKB/TrEMBL

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UniChem
US Patent
n/an/a 53n/an/an/an/a7.825



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_02) from In Vitro Resistance Studies of HCV Serine Protease Inhibitors, 2004, JBC, vol. 279, No. 17, p...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1207,D168A]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241942
PNG
(US9422333, I-11)
Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](CNC(=O)C=C)NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C36H50N8O7/c1-3-9-25(31(46)35(50)40-23-14-15-23)41-34(49)30-24-13-8-12-22(24)20-44(30)36(51)27(19-39-28(45)4-2)42-33(48)29(21-10-6-5-7-11-21)43-32(47)26-18-37-16-17-38-26/h4,16-18,21-25,27,29-30H,2-3,5-15,19-20H2,1H3,(H,39,45)(H,40,50)(H,41,49)(H,42,48)(H,43,47)/t22-,24-,25-,27-,29-,30-/m0/s1
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 98n/an/an/an/a7.825



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_02) from In Vitro Resistance Studies of HCV Serine Protease Inhibitors, 2004, JBC, vol. 279, No. 17, p...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241943
PNG
(US9422333, I-23)
Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](CNC(=O)C=C)NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(OC(=O)C(F)(F)F)C(=O)NC1CC1 |r,w:43.47|
Show InChI InChI=1S/C38H51F3N8O8/c1-3-9-25(31(35(54)45-23-14-15-23)57-37(56)38(39,40)41)46-34(53)30-24-13-8-12-22(24)20-49(30)36(55)27(19-44-28(50)4-2)47-33(52)29(21-10-6-5-7-11-21)48-32(51)26-18-42-16-17-43-26/h4,16-18,21-25,27,29-31H,2-3,5-15,19-20H2,1H3,(H,44,50)(H,45,54)(H,46,53)(H,47,52)(H,48,51)/t22-,24-,25-,27-,29-,30-,31?/m0/s1
PDB

UniProtKB/TrEMBL

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US Patent
n/an/a>111n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241942
PNG
(US9422333, I-11)
Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](CNC(=O)C=C)NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C36H50N8O7/c1-3-9-25(31(46)35(50)40-23-14-15-23)41-34(49)30-24-13-8-12-22(24)20-44(30)36(51)27(19-39-28(45)4-2)42-33(48)29(21-10-6-5-7-11-21)43-32(47)26-18-37-16-17-38-26/h4,16-18,21-25,27,29-30H,2-3,5-15,19-20H2,1H3,(H,39,45)(H,40,50)(H,41,49)(H,42,48)(H,43,47)/t22-,24-,25-,27-,29-,30-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 232n/an/an/an/a7.825



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_02) from In Vitro Resistance Studies of HCV Serine Protease Inhibitors, 2004, JBC, vol. 279, No. 17, p...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241940
PNG
(US9422333, I-1)
Show SMILES CC(C)(C)NC(=O)N[C@@H](CNC(=O)C=C)C(=O)N1CC2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r,w:25.26|
Show InChI InChI=1S/C27H42N6O6/c1-7-18(34)29-12-17(31-25(39)32-26(2,3)4)24(38)33-13-15-19(27(15,5)6)20(33)23(37)30-16(21(35)22(28)36)11-14-9-8-10-14/h7,14-17,19-20H,1,8-13H2,2-6H3,(H2,28,36)(H,29,34)(H,30,37)(H2,31,32,39)/t15?,16?,17-,19-,20-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
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PC sid
UniChem
US Patent
n/an/a 290n/an/an/an/a7.825



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_02) from In Vitro Resistance Studies of HCV Serine Protease Inhibitors, 2004, JBC, vol. 279, No. 17, p...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1207,D168A]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241940
PNG
(US9422333, I-1)
Show SMILES CC(C)(C)NC(=O)N[C@@H](CNC(=O)C=C)C(=O)N1CC2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r,w:25.26|
Show InChI InChI=1S/C27H42N6O6/c1-7-18(34)29-12-17(31-25(39)32-26(2,3)4)24(38)33-13-15-19(27(15,5)6)20(33)23(37)30-16(21(35)22(28)36)11-14-9-8-10-14/h7,14-17,19-20H,1,8-13H2,2-6H3,(H2,28,36)(H,29,34)(H,30,37)(H2,31,32,39)/t15?,16?,17-,19-,20-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 312n/an/an/an/a7.825



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_02) from In Vitro Resistance Studies of HCV Serine Protease Inhibitors, 2004, JBC, vol. 279, No. 17, p...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1207,D168A]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241941
PNG
(US9422333, I-6)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])-[#6](=O)-[#7]-1-[#6]-[#6]2-[#6@@H](-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-1-[#6]-[#6]-[#6]-1)-[#6](=O)-[#6](-[#7])=O)C2([#6])[#6] |r,w:27.28|
Show InChI InChI=1S/C30H46N4O7/c1-16(2)13-18(35)11-12-20(33-28(40)41-29(3,4)5)27(39)34-15-19-22(30(19,6)7)23(34)26(38)32-21(24(36)25(31)37)14-17-9-8-10-17/h13,17,19-23H,8-12,14-15H2,1-7H3,(H2,31,37)(H,32,38)(H,33,40)/t19?,20-,21?,22-,23-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 321n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1207,A156S]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241943
PNG
(US9422333, I-23)
Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](CNC(=O)C=C)NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(OC(=O)C(F)(F)F)C(=O)NC1CC1 |r,w:43.47|
Show InChI InChI=1S/C38H51F3N8O8/c1-3-9-25(31(35(54)45-23-14-15-23)57-37(56)38(39,40)41)46-34(53)30-24-13-8-12-22(24)20-49(30)36(55)27(19-44-28(50)4-2)47-33(52)29(21-10-6-5-7-11-21)48-32(51)26-18-42-16-17-43-26/h4,16-18,21-25,27,29-31H,2-3,5-15,19-20H2,1H3,(H,44,50)(H,45,54)(H,46,53)(H,47,52)(H,48,51)/t22-,24-,25-,27-,29-,30-,31?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
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UniChem
US Patent
n/an/a 412n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241941
PNG
(US9422333, I-6)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])-[#6](=O)-[#7]-1-[#6]-[#6]2-[#6@@H](-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-1-[#6]-[#6]-[#6]-1)-[#6](=O)-[#6](-[#7])=O)C2([#6])[#6] |r,w:27.28|
Show InChI InChI=1S/C30H46N4O7/c1-16(2)13-18(35)11-12-20(33-28(40)41-29(3,4)5)27(39)34-15-19-22(30(19,6)7)23(34)26(38)32-21(24(36)25(31)37)14-17-9-8-10-17/h13,17,19-23H,8-12,14-15H2,1-7H3,(H2,31,37)(H,32,38)(H,33,40)/t19?,20-,21?,22-,23-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 456n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241943
PNG
(US9422333, I-23)
Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](CNC(=O)C=C)NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(OC(=O)C(F)(F)F)C(=O)NC1CC1 |r,w:43.47|
Show InChI InChI=1S/C38H51F3N8O8/c1-3-9-25(31(35(54)45-23-14-15-23)57-37(56)38(39,40)41)46-34(53)30-24-13-8-12-22(24)20-49(30)36(55)27(19-44-28(50)4-2)47-33(52)29(21-10-6-5-7-11-21)48-32(51)26-18-42-16-17-43-26/h4,16-18,21-25,27,29-31H,2-3,5-15,19-20H2,1H3,(H,44,50)(H,45,54)(H,46,53)(H,47,52)(H,48,51)/t22-,24-,25-,27-,29-,30-,31?/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 463n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1207,D168A]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241943
PNG
(US9422333, I-23)
Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](CNC(=O)C=C)NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(OC(=O)C(F)(F)F)C(=O)NC1CC1 |r,w:43.47|
Show InChI InChI=1S/C38H51F3N8O8/c1-3-9-25(31(35(54)45-23-14-15-23)57-37(56)38(39,40)41)46-34(53)30-24-13-8-12-22(24)20-49(30)36(55)27(19-44-28(50)4-2)47-33(52)29(21-10-6-5-7-11-21)48-32(51)26-18-42-16-17-43-26/h4,16-18,21-25,27,29-31H,2-3,5-15,19-20H2,1H3,(H,44,50)(H,45,54)(H,46,53)(H,47,52)(H,48,51)/t22-,24-,25-,27-,29-,30-,31?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 508n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1207,R155K]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241940
PNG
(US9422333, I-1)
Show SMILES CC(C)(C)NC(=O)N[C@@H](CNC(=O)C=C)C(=O)N1CC2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r,w:25.26|
Show InChI InChI=1S/C27H42N6O6/c1-7-18(34)29-12-17(31-25(39)32-26(2,3)4)24(38)33-13-15-19(27(15,5)6)20(33)23(37)30-16(21(35)22(28)36)11-14-9-8-10-14/h7,14-17,19-20H,1,8-13H2,2-6H3,(H2,28,36)(H,29,34)(H,30,37)(H2,31,32,39)/t15?,16?,17-,19-,20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 928n/an/an/an/a7.825



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_02) from In Vitro Resistance Studies of HCV Serine Protease Inhibitors, 2004, JBC, vol. 279, No. 17, p...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1207,A156T]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241943
PNG
(US9422333, I-23)
Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](CNC(=O)C=C)NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(OC(=O)C(F)(F)F)C(=O)NC1CC1 |r,w:43.47|
Show InChI InChI=1S/C38H51F3N8O8/c1-3-9-25(31(35(54)45-23-14-15-23)57-37(56)38(39,40)41)46-34(53)30-24-13-8-12-22(24)20-49(30)36(55)27(19-44-28(50)4-2)47-33(52)29(21-10-6-5-7-11-21)48-32(51)26-18-42-16-17-43-26/h4,16-18,21-25,27,29-31H,2-3,5-15,19-20H2,1H3,(H,44,50)(H,45,54)(H,46,53)(H,47,52)(H,48,51)/t22-,24-,25-,27-,29-,30-,31?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 985n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1207,R155K]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241941
PNG
(US9422333, I-6)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])-[#6](=O)-[#7]-1-[#6]-[#6]2-[#6@@H](-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-1-[#6]-[#6]-[#6]-1)-[#6](=O)-[#6](-[#7])=O)C2([#6])[#6] |r,w:27.28|
Show InChI InChI=1S/C30H46N4O7/c1-16(2)13-18(35)11-12-20(33-28(40)41-29(3,4)5)27(39)34-15-19-22(30(19,6)7)23(34)26(38)32-21(24(36)25(31)37)14-17-9-8-10-17/h13,17,19-23H,8-12,14-15H2,1-7H3,(H2,31,37)(H,32,38)(H,33,40)/t19?,20-,21?,22-,23-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 1.05E+3n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1207,C159S]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241940
PNG
(US9422333, I-1)
Show SMILES CC(C)(C)NC(=O)N[C@@H](CNC(=O)C=C)C(=O)N1CC2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r,w:25.26|
Show InChI InChI=1S/C27H42N6O6/c1-7-18(34)29-12-17(31-25(39)32-26(2,3)4)24(38)33-13-15-19(27(15,5)6)20(33)23(37)30-16(21(35)22(28)36)11-14-9-8-10-14/h7,14-17,19-20H,1,8-13H2,2-6H3,(H2,28,36)(H,29,34)(H,30,37)(H2,31,32,39)/t15?,16?,17-,19-,20-/m0/s1
PDB

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n/an/a 1.09E+3n/an/an/an/a7.825



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_02) from In Vitro Resistance Studies of HCV Serine Protease Inhibitors, 2004, JBC, vol. 279, No. 17, p...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1207,D168A]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241942
PNG
(US9422333, I-11)
Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](CNC(=O)C=C)NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C36H50N8O7/c1-3-9-25(31(46)35(50)40-23-14-15-23)41-34(49)30-24-13-8-12-22(24)20-44(30)36(51)27(19-39-28(45)4-2)42-33(48)29(21-10-6-5-7-11-21)43-32(47)26-18-37-16-17-38-26/h4,16-18,21-25,27,29-30H,2-3,5-15,19-20H2,1H3,(H,39,45)(H,40,50)(H,41,49)(H,42,48)(H,43,47)/t22-,24-,25-,27-,29-,30-/m0/s1
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n/an/a 1.15E+3n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241940
PNG
(US9422333, I-1)
Show SMILES CC(C)(C)NC(=O)N[C@@H](CNC(=O)C=C)C(=O)N1CC2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r,w:25.26|
Show InChI InChI=1S/C27H42N6O6/c1-7-18(34)29-12-17(31-25(39)32-26(2,3)4)24(38)33-13-15-19(27(15,5)6)20(33)23(37)30-16(21(35)22(28)36)11-14-9-8-10-14/h7,14-17,19-20H,1,8-13H2,2-6H3,(H2,28,36)(H,29,34)(H,30,37)(H2,31,32,39)/t15?,16?,17-,19-,20-/m0/s1
PDB

UniProtKB/TrEMBL

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n/an/a 1.33E+3n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241942
PNG
(US9422333, I-11)
Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](CNC(=O)C=C)NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C36H50N8O7/c1-3-9-25(31(46)35(50)40-23-14-15-23)41-34(49)30-24-13-8-12-22(24)20-44(30)36(51)27(19-39-28(45)4-2)42-33(48)29(21-10-6-5-7-11-21)43-32(47)26-18-37-16-17-38-26/h4,16-18,21-25,27,29-30H,2-3,5-15,19-20H2,1H3,(H,39,45)(H,40,50)(H,41,49)(H,42,48)(H,43,47)/t22-,24-,25-,27-,29-,30-/m0/s1
PDB

UniProtKB/TrEMBL

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n/an/a 1.74E+3n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1207,C159S]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241941
PNG
(US9422333, I-6)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])-[#6](=O)-[#7]-1-[#6]-[#6]2-[#6@@H](-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-1-[#6]-[#6]-[#6]-1)-[#6](=O)-[#6](-[#7])=O)C2([#6])[#6] |r,w:27.28|
Show InChI InChI=1S/C30H46N4O7/c1-16(2)13-18(35)11-12-20(33-28(40)41-29(3,4)5)27(39)34-15-19-22(30(19,6)7)23(34)26(38)32-21(24(36)25(31)37)14-17-9-8-10-17/h13,17,19-23H,8-12,14-15H2,1-7H3,(H2,31,37)(H,32,38)(H,33,40)/t19?,20-,21?,22-,23-/m0/s1
PDB

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n/an/a 2.07E+3n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1207,D168A]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241940
PNG
(US9422333, I-1)
Show SMILES CC(C)(C)NC(=O)N[C@@H](CNC(=O)C=C)C(=O)N1CC2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r,w:25.26|
Show InChI InChI=1S/C27H42N6O6/c1-7-18(34)29-12-17(31-25(39)32-26(2,3)4)24(38)33-13-15-19(27(15,5)6)20(33)23(37)30-16(21(35)22(28)36)11-14-9-8-10-14/h7,14-17,19-20H,1,8-13H2,2-6H3,(H2,28,36)(H,29,34)(H,30,37)(H2,31,32,39)/t15?,16?,17-,19-,20-/m0/s1
PDB

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n/an/a 2.55E+3n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1207,C159S]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241942
PNG
(US9422333, I-11)
Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](CNC(=O)C=C)NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C36H50N8O7/c1-3-9-25(31(46)35(50)40-23-14-15-23)41-34(49)30-24-13-8-12-22(24)20-44(30)36(51)27(19-39-28(45)4-2)42-33(48)29(21-10-6-5-7-11-21)43-32(47)26-18-37-16-17-38-26/h4,16-18,21-25,27,29-30H,2-3,5-15,19-20H2,1H3,(H,39,45)(H,40,50)(H,41,49)(H,42,48)(H,43,47)/t22-,24-,25-,27-,29-,30-/m0/s1
PDB

UniProtKB/SwissProt

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n/an/a>3.00E+3n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1207,C159S]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241940
PNG
(US9422333, I-1)
Show SMILES CC(C)(C)NC(=O)N[C@@H](CNC(=O)C=C)C(=O)N1CC2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r,w:25.26|
Show InChI InChI=1S/C27H42N6O6/c1-7-18(34)29-12-17(31-25(39)32-26(2,3)4)24(38)33-13-15-19(27(15,5)6)20(33)23(37)30-16(21(35)22(28)36)11-14-9-8-10-14/h7,14-17,19-20H,1,8-13H2,2-6H3,(H2,28,36)(H,29,34)(H,30,37)(H2,31,32,39)/t15?,16?,17-,19-,20-/m0/s1
PDB

UniProtKB/SwissProt

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n/an/a>3.00E+3n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1207,R155K]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241942
PNG
(US9422333, I-11)
Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](CNC(=O)C=C)NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C36H50N8O7/c1-3-9-25(31(46)35(50)40-23-14-15-23)41-34(49)30-24-13-8-12-22(24)20-44(30)36(51)27(19-39-28(45)4-2)42-33(48)29(21-10-6-5-7-11-21)43-32(47)26-18-37-16-17-38-26/h4,16-18,21-25,27,29-30H,2-3,5-15,19-20H2,1H3,(H,39,45)(H,40,50)(H,41,49)(H,42,48)(H,43,47)/t22-,24-,25-,27-,29-,30-/m0/s1
PDB

UniProtKB/SwissProt

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n/an/a>3.00E+3n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1207,A156S]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241940
PNG
(US9422333, I-1)
Show SMILES CC(C)(C)NC(=O)N[C@@H](CNC(=O)C=C)C(=O)N1CC2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r,w:25.26|
Show InChI InChI=1S/C27H42N6O6/c1-7-18(34)29-12-17(31-25(39)32-26(2,3)4)24(38)33-13-15-19(27(15,5)6)20(33)23(37)30-16(21(35)22(28)36)11-14-9-8-10-14/h7,14-17,19-20H,1,8-13H2,2-6H3,(H2,28,36)(H,29,34)(H,30,37)(H2,31,32,39)/t15?,16?,17-,19-,20-/m0/s1
PDB

UniProtKB/SwissProt

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UniChem
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n/an/a>3.00E+3n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1207,A156S]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241941
PNG
(US9422333, I-6)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])-[#6](=O)-[#7]-1-[#6]-[#6]2-[#6@@H](-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-1-[#6]-[#6]-[#6]-1)-[#6](=O)-[#6](-[#7])=O)C2([#6])[#6] |r,w:27.28|
Show InChI InChI=1S/C30H46N4O7/c1-16(2)13-18(35)11-12-20(33-28(40)41-29(3,4)5)27(39)34-15-19-22(30(19,6)7)23(34)26(38)32-21(24(36)25(31)37)14-17-9-8-10-17/h13,17,19-23H,8-12,14-15H2,1-7H3,(H2,31,37)(H,32,38)(H,33,40)/t19?,20-,21?,22-,23-/m0/s1
PDB

UniProtKB/SwissProt

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n/an/a>3.00E+3n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1207,A156S]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241942
PNG
(US9422333, I-11)
Show SMILES CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@H](CNC(=O)C=C)NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)C(=O)NC1CC1 |r|
Show InChI InChI=1S/C36H50N8O7/c1-3-9-25(31(46)35(50)40-23-14-15-23)41-34(49)30-24-13-8-12-22(24)20-44(30)36(51)27(19-39-28(45)4-2)42-33(48)29(21-10-6-5-7-11-21)43-32(47)26-18-37-16-17-38-26/h4,16-18,21-25,27,29-30H,2-3,5-15,19-20H2,1H3,(H,39,45)(H,40,50)(H,41,49)(H,42,48)(H,43,47)/t22-,24-,25-,27-,29-,30-/m0/s1
PDB

UniProtKB/SwissProt

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n/an/a>3.00E+3n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1207,R155K]


(Hepatitis C virus genotype 1b (isolate Con1) (HCV))		BDBM241940
PNG
(US9422333, I-1)
Show SMILES CC(C)(C)NC(=O)N[C@@H](CNC(=O)C=C)C(=O)N1CC2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C |r,w:25.26|
Show InChI InChI=1S/C27H42N6O6/c1-7-18(34)29-12-17(31-25(39)32-26(2,3)4)24(38)33-13-15-19(27(15,5)6)20(33)23(37)30-16(21(35)22(28)36)11-14-9-8-10-14/h7,14-17,19-20H,1,8-13H2,2-6H3,(H2,28,36)(H,29,34)(H,30,37)(H2,31,32,39)/t15?,16?,17-,19-,20-/m0/s1
PDB

UniProtKB/SwissProt

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n/an/a>3.00E+3n/an/an/an/a7.5n/a



Celgene Avilomics Research, Inc.

US Patent


Assay Description
The protocol is a modified FRET-based assay (v_03) developed to evaluate compound potency, rank-order and resistance profiles against wild type and C...

US Patent US9422333 (2016)


BindingDB Entry DOI: 10.7270/Q2B27T6P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%