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Compile Data Set for Download or QSAR

Found 1427 hits with Last Name = 'raboisson' and Initial = 'pj'   
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)		BDBM123407
PNG
(US8741926, 91)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)NCCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:22|
Show InChI InChI=1S/C37H46N6O7S2/c1-21(2)28-20-51-34(40-28)27-17-31(26-13-14-30(49-4)22(3)32(26)39-27)50-24-16-29-33(44)41-37(35(45)42-52(47,48)25-11-12-25)18-23(37)10-8-6-5-7-9-15-38-36(46)43(29)19-24/h8,10,13-14,17,20-21,23-25,29H,5-7,9,11-12,15-16,18-19H2,1-4H3,(H,38,46)(H,41,44)(H,42,45)/b10-8-/t23-,24-,29+,37-/m1/s1
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US Patent
 0.0500 -59.8n/an/an/an/an/a7.530



Janssen R&D Ireland; Medivir AB

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US8741926 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XBC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM123410
PNG
(US8741926, 82 | US8754106, 82 | US8754106, 91)
Show SMILES COc1ccc2c(O[C@H]3C[C@@H]4[C@@H](C3)C(=O)N[C@@]3(C[C@H]3\C=C/CCCCCNC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:21|
Show InChI InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-36(41-30)29-18-32(26-13-14-31(49-4)22(3)33(26)40-29)50-24-16-27-28(17-24)35(45)42-38(37(46)43-52(47,48)25-11-12-25)19-23(38)10-8-6-5-7-9-15-39-34(27)44/h8,10,13-14,18,20-21,23-25,27-28H,5-7,9,11-12,15-17,19H2,1-4H3,(H,39,44)(H,42,45)(H,43,46)/b10-8-/t23-,24+,27-,28-,38-/m1/s1
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 0.0500n/an/an/an/an/an/an/an/a



Janssen R&D Ireland; Medivir AB

US Patent


Assay Description
The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...

US Patent US8754106 (2014)


BindingDB Entry DOI: 10.7270/Q2V40SWX
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM124106
PNG
(US8754106, 56)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22|
Show InChI InChI=1S/C37H44ClN5O7S2/c1-20(2)28-19-51-34(40-28)27-17-30(24-12-13-29(49-4)31(38)32(24)39-27)50-22-15-25-26(16-22)35(45)43(3)14-8-6-5-7-9-21-18-37(21,41-33(25)44)36(46)42-52(47,48)23-10-11-23/h7,9,12-13,17,19-23,25-26H,5-6,8,10-11,14-16,18H2,1-4H3,(H,41,44)(H,42,46)/b9-7-/t21-,22-,25-,26-,37-/m1/s1
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 0.100n/an/an/an/an/an/an/an/a



Janssen R&D Ireland; Medivir AB

US Patent


Assay Description
The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...

US Patent US8754106 (2014)


BindingDB Entry DOI: 10.7270/Q2V40SWX
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236571
PNG
(US9365582, 13)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2cccc(C)c2n1 |r,c:21|
Show InChI InChI=1S/C33H42N4O7S/c1-4-43-28-18-27(24-12-9-10-20(2)29(24)34-28)44-22-16-25-26(17-22)31(39)37(3)15-8-6-5-7-11-21-19-33(21,35-30(25)38)32(40)36-45(41,42)23-13-14-23/h7,9-12,18,21-23,25-26H,4-6,8,13-17,19H2,1-3H3,(H,35,38)(H,36,40)/b11-7-/t21-,22-,25-,26-,33-/m1/s1
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 0.100n/an/an/an/an/an/a7.5n/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM123413
PNG
(US8741926, 94 | US8754106, 94)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)NCCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22|
Show InChI InChI=1S/C36H43ClN6O7S2/c1-20(2)26-19-51-33(40-26)25-16-29(24-12-13-28(49-3)30(37)31(24)39-25)50-22-15-27-32(44)41-36(34(45)42-52(47,48)23-10-11-23)17-21(36)9-7-5-4-6-8-14-38-35(46)43(27)18-22/h7,9,12-13,16,19-23,27H,4-6,8,10-11,14-15,17-18H2,1-3H3,(H,38,46)(H,41,44)(H,42,45)/b9-7-/t21-,22-,27+,36-/m1/s1
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 0.100n/an/an/an/an/an/an/an/a



Janssen R&D Ireland; Medivir AB

US Patent


Assay Description
The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...

US Patent US8754106 (2014)


BindingDB Entry DOI: 10.7270/Q2V40SWX
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236565
PNG
(US9365582, 5)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc(OC)cc2n1 |r,c:21|
Show InChI InChI=1S/C33H42N4O8S/c1-4-44-29-18-28(24-13-10-21(43-3)17-27(24)34-29)45-22-15-25-26(16-22)31(39)37(2)14-8-6-5-7-9-20-19-33(20,35-30(25)38)32(40)36-46(41,42)23-11-12-23/h7,9-10,13,17-18,20,22-23,25-26H,4-6,8,11-12,14-16,19H2,1-3H3,(H,35,38)(H,36,40)/b9-7-/t20-,22-,25-,26-,33-/m1/s1
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 0.100n/an/an/an/an/an/a7.5n/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236566
PNG
(US9365582, 7)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc(OC)c(Br)c2n1 |r,c:21|
Show InChI InChI=1S/C33H41BrN4O8S/c1-4-45-27-17-26(22-12-13-25(44-3)28(34)29(22)35-27)46-20-15-23-24(16-20)31(40)38(2)14-8-6-5-7-9-19-18-33(19,36-30(23)39)32(41)37-47(42,43)21-10-11-21/h7,9,12-13,17,19-21,23-24H,4-6,8,10-11,14-16,18H2,1-3H3,(H,36,39)(H,37,41)/b9-7-/t19-,20-,23-,24-,33-/m1/s1
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 0.100n/an/an/an/an/an/a7.5n/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM123413
PNG
(US8741926, 94 | US8754106, 94)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)NCCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22|
Show InChI InChI=1S/C36H43ClN6O7S2/c1-20(2)26-19-51-33(40-26)25-16-29(24-12-13-28(49-3)30(37)31(24)39-25)50-22-15-27-32(44)41-36(34(45)42-52(47,48)23-10-11-23)17-21(36)9-7-5-4-6-8-14-38-35(46)43(27)18-22/h7,9,12-13,16,19-23,27H,4-6,8,10-11,14-15,17-18H2,1-3H3,(H,38,46)(H,41,44)(H,42,45)/b9-7-/t21-,22-,27+,36-/m1/s1
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 0.100 -58.0n/an/an/an/an/a7.530



Janssen R&D Ireland; Medivir AB

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US8741926 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XBC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM123411
PNG
(US8741926, 56)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/C3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22|
Show InChI InChI=1S/C37H44ClN5O7S2/c1-20(2)28-19-51-34(40-28)27-17-30(24-12-13-29(49-4)31(38)32(24)39-27)50-22-15-25-26(16-22)35(45)43(3)14-8-6-5-7-9-21-18-37(21,41-33(25)44)36(46)42-52(47,48)23-10-11-23/h7,9,12-13,17,19-23,25-26H,5-6,8,10-11,14-16,18H2,1-4H3,(H,41,44)(H,42,46)/b9-7-/t21?,22-,25-,26-,37-/m1/s1
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 0.100 -58.0n/an/an/an/an/a7.530



Janssen R&D Ireland; Medivir AB

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US8741926 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XBC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM123415
PNG
(US8741926, 95 | US8754106, 95)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)NCCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3(C)CC3)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22|
Show InChI InChI=1S/C37H45ClN6O7S2/c1-21(2)26-20-52-33(41-26)25-17-29(24-11-12-28(50-4)30(38)31(24)40-25)51-23-16-27-32(45)42-37(34(46)43-53(48,49)36(3)13-14-36)18-22(37)10-8-6-5-7-9-15-39-35(47)44(27)19-23/h8,10-12,17,20-23,27H,5-7,9,13-16,18-19H2,1-4H3,(H,39,47)(H,42,45)(H,43,46)/b10-8-/t22-,23-,27+,37-/m1/s1
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 0.100 -58.0n/an/an/an/an/a7.530



Janssen R&D Ireland; Medivir AB

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US8741926 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XBC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM123415
PNG
(US8741926, 95 | US8754106, 95)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)NCCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3(C)CC3)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22|
Show InChI InChI=1S/C37H45ClN6O7S2/c1-21(2)26-20-52-33(41-26)25-17-29(24-11-12-28(50-4)30(38)31(24)40-25)51-23-16-27-32(45)42-37(34(46)43-53(48,49)36(3)13-14-36)18-22(37)10-8-6-5-7-9-15-39-35(47)44(27)19-23/h8,10-12,17,20-23,27H,5-7,9,13-16,18-19H2,1-4H3,(H,39,47)(H,42,45)(H,43,46)/b10-8-/t22-,23-,27+,37-/m1/s1
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 0.100n/an/an/an/an/an/an/an/a



Janssen R&D Ireland; Medivir AB

US Patent


Assay Description
The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...

US Patent US8754106 (2014)


BindingDB Entry DOI: 10.7270/Q2V40SWX
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236563
PNG
(US9365582, 3)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc(OC)c(C)c2n1 |r,c:21|
Show InChI InChI=1S/C34H44N4O8S/c1-5-45-29-18-28(24-13-14-27(44-4)20(2)30(24)35-29)46-22-16-25-26(17-22)32(40)38(3)15-9-7-6-8-10-21-19-34(21,36-31(25)39)33(41)37-47(42,43)23-11-12-23/h8,10,13-14,18,21-23,25-26H,5-7,9,11-12,15-17,19H2,1-4H3,(H,36,39)(H,37,41)/b10-8-/t21-,22-,25-,26-,34-/m1/s1
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 0.100n/an/an/an/an/an/a7.5n/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236573
PNG
(US9365582, 15)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc3OCOc3c2n1 |r,c:21|
Show InChI InChI=1S/C33H40N4O9S/c1-3-43-27-16-26(22-11-12-25-29(28(22)34-27)45-18-44-25)46-20-14-23-24(15-20)31(39)37(2)13-7-5-4-6-8-19-17-33(19,35-30(23)38)32(40)36-47(41,42)21-9-10-21/h6,8,11-12,16,19-21,23-24H,3-5,7,9-10,13-15,17-18H2,1-2H3,(H,35,38)(H,36,40)/b8-6-/t19-,20-,23-,24-,33-/m1/s1
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 0.200n/an/an/an/an/an/a7.5n/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM123414
PNG
(US8741926, 48 | US8754106, 48)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3(C)CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:22|
Show InChI InChI=1S/C39H49N5O7S2/c1-22(2)30-21-52-35(41-30)29-19-32(26-12-13-31(50-6)23(3)33(26)40-29)51-25-17-27-28(18-25)36(46)44(5)16-10-8-7-9-11-24-20-39(24,42-34(27)45)37(47)43-53(48,49)38(4)14-15-38/h9,11-13,19,21-22,24-25,27-28H,7-8,10,14-18,20H2,1-6H3,(H,42,45)(H,43,47)/b11-9-/t24-,25-,27-,28-,39-/m1/s1
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 0.25 -55.7n/an/an/an/an/a7.530



Janssen R&D Ireland; Medivir AB

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US8741926 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XBC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM123414
PNG
(US8741926, 48 | US8754106, 48)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3(C)CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:22|
Show InChI InChI=1S/C39H49N5O7S2/c1-22(2)30-21-52-35(41-30)29-19-32(26-12-13-31(50-6)23(3)33(26)40-29)51-25-17-27-28(18-25)36(46)44(5)16-10-8-7-9-11-24-20-39(24,42-34(27)45)37(47)43-53(48,49)38(4)14-15-38/h9,11-13,19,21-22,24-25,27-28H,7-8,10,14-18,20H2,1-6H3,(H,42,45)(H,43,47)/b11-9-/t24-,25-,27-,28-,39-/m1/s1
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 0.25n/an/an/an/an/an/an/an/a



Janssen R&D Ireland; Medivir AB

US Patent


Assay Description
The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...

US Patent US8754106 (2014)


BindingDB Entry DOI: 10.7270/Q2V40SWX
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM123412
PNG
(US8741926, 57 | US8754106, 57)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3(C)CC3)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22|
Show InChI InChI=1S/C38H46ClN5O7S2/c1-21(2)28-20-52-34(41-28)27-18-30(24-11-12-29(50-5)31(39)32(24)40-27)51-23-16-25-26(17-23)35(46)44(4)15-9-7-6-8-10-22-19-38(22,42-33(25)45)36(47)43-53(48,49)37(3)13-14-37/h8,10-12,18,20-23,25-26H,6-7,9,13-17,19H2,1-5H3,(H,42,45)(H,43,47)/b10-8-/t22-,23-,25-,26-,38-/m1/s1
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 0.300n/an/an/an/an/an/an/an/a



Janssen R&D Ireland; Medivir AB

US Patent


Assay Description
The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...

US Patent US8754106 (2014)


BindingDB Entry DOI: 10.7270/Q2V40SWX
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM123412
PNG
(US8741926, 57 | US8754106, 57)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3(C)CC3)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22|
Show InChI InChI=1S/C38H46ClN5O7S2/c1-21(2)28-20-52-34(41-28)27-18-30(24-11-12-29(50-5)31(39)32(24)40-27)51-23-16-25-26(17-23)35(46)44(4)15-9-7-6-8-10-22-19-38(22,42-33(25)45)36(47)43-53(48,49)37(3)13-14-37/h8,10-12,18,20-23,25-26H,6-7,9,13-17,19H2,1-5H3,(H,42,45)(H,43,47)/b10-8-/t22-,23-,25-,26-,38-/m1/s1
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 0.300 -55.3n/an/an/an/an/a7.530



Janssen R&D Ireland; Medivir AB

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US8741926 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XBC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50336504
PNG
((2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl...)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:22|
Show InChI InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1
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 0.5n/an/an/an/an/an/an/an/a



Janssen R&D Ireland; Medivir AB

US Patent


Assay Description
The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...

US Patent US8754106 (2014)


BindingDB Entry DOI: 10.7270/Q2V40SWX
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236569
PNG
(US9365582, 11)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2cccc(Cl)c2n1 |r,c:21|
Show InChI InChI=1S/C32H39ClN4O7S/c1-3-43-27-17-26(22-10-8-11-25(33)28(22)34-27)44-20-15-23-24(16-20)30(39)37(2)14-7-5-4-6-9-19-18-32(19,35-29(23)38)31(40)36-45(41,42)21-12-13-21/h6,8-11,17,19-21,23-24H,3-5,7,12-16,18H2,1-2H3,(H,35,38)(H,36,40)/b9-6-/t19-,20-,23-,24-,32-/m1/s1
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 0.5n/an/an/an/an/an/a7.5n/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM50336504
PNG
((2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl...)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:22|
Show InChI InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1
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US Patent
 0.5 -54.0n/an/an/an/an/a7.530



Janssen R&D Ireland; Medivir AB

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US8741926 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XBC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236567
PNG
(US9365582, 9)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(=O)NS(=O)(=O)C2CC2)c2ccc3OCCc3c2n1 |r,c:21|
Show InChI InChI=1S/C34H42N4O8S/c1-3-44-29-18-28(23-11-12-27-24(13-15-45-27)30(23)35-29)46-21-16-25-26(17-21)32(40)38(2)14-7-5-4-6-8-20-19-34(20,36-31(25)39)33(41)37-47(42,43)22-9-10-22/h6,8,11-12,18,20-22,25-26H,3-5,7,9-10,13-17,19H2,1-2H3,(H,36,39)(H,37,41)/b8-6-/t20-,21-,25-,26-,34-/m1/s1
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 0.800n/an/an/an/an/an/a7.5n/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM123408
PNG
(US8741926, 55)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/C3C[C@]3(NC4=O)C(O)=O)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22|
Show InChI InChI=1S/C34H39ClN4O6S/c1-18(2)25-17-46-31(37-25)24-15-27(21-10-11-26(44-4)28(35)29(21)36-24)45-20-13-22-23(14-20)32(41)39(3)12-8-6-5-7-9-19-16-34(19,33(42)43)38-30(22)40/h7,9-11,15,17-20,22-23H,5-6,8,12-14,16H2,1-4H3,(H,38,40)(H,42,43)/b9-7-/t19?,20-,22-,23-,34-/m1/s1
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 5 -48.2n/an/an/an/an/a7.530



Janssen R&D Ireland; Medivir AB

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US8741926 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XBC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM124105
PNG
(US8754106, 55)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(C)CCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)cc(nc2c1Cl)-c1nc(cs1)C(C)C |r,c:22|
Show InChI InChI=1S/C34H39ClN4O6S/c1-18(2)25-17-46-31(37-25)24-15-27(21-10-11-26(44-4)28(35)29(21)36-24)45-20-13-22-23(14-20)32(41)39(3)12-8-6-5-7-9-19-16-34(19,33(42)43)38-30(22)40/h7,9-11,15,17-20,22-23H,5-6,8,12-14,16H2,1-4H3,(H,38,40)(H,42,43)/b9-7-/t19-,20-,22-,23-,34-/m1/s1
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 5n/an/an/an/an/an/an/an/a



Janssen R&D Ireland; Medivir AB

US Patent


Assay Description
The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...

US Patent US8754106 (2014)


BindingDB Entry DOI: 10.7270/Q2V40SWX
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236568
PNG
(US9365582, 10)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2cccc(Cl)c2n1 |r,c:21|
Show InChI InChI=1S/C29H34ClN3O6/c1-3-38-24-15-23(19-10-8-11-22(30)25(19)31-24)39-18-13-20-21(14-18)27(35)33(2)12-7-5-4-6-9-17-16-29(17,28(36)37)32-26(20)34/h6,8-11,15,17-18,20-21H,3-5,7,12-14,16H2,1-2H3,(H,32,34)(H,36,37)/b9-6-/t17?,18-,20-,21-,29-/m1/s1
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 7.70n/an/an/an/an/an/a7.5n/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM123410
PNG
(US8741926, 82 | US8754106, 82 | US8754106, 91)
Show SMILES COc1ccc2c(O[C@H]3C[C@@H]4[C@@H](C3)C(=O)N[C@@]3(C[C@H]3\C=C/CCCCCNC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:21|
Show InChI InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-36(41-30)29-18-32(26-13-14-31(49-4)22(3)33(26)40-29)50-24-16-27-28(17-24)35(45)42-38(37(46)43-52(47,48)25-11-12-25)19-23(38)10-8-6-5-7-9-15-39-34(27)44/h8,10,13-14,18,20-21,23-25,27-28H,5-7,9,11-12,15-17,19H2,1-4H3,(H,39,44)(H,42,45)(H,43,46)/b10-8-/t23-,24+,27-,28-,38-/m1/s1
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 9.40 -46.6n/an/an/an/an/a7.530



Janssen R&D Ireland; Medivir AB

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US8741926 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XBC
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM123410
PNG
(US8741926, 82 | US8754106, 82 | US8754106, 91)
Show SMILES COc1ccc2c(O[C@H]3C[C@@H]4[C@@H](C3)C(=O)N[C@@]3(C[C@H]3\C=C/CCCCCNC4=O)C(=O)NS(=O)(=O)C3CC3)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:21|
Show InChI InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-36(41-30)29-18-32(26-13-14-31(49-4)22(3)33(26)40-29)50-24-16-27-28(17-24)35(45)42-38(37(46)43-52(47,48)25-11-12-25)19-23(38)10-8-6-5-7-9-15-39-34(27)44/h8,10,13-14,18,20-21,23-25,27-28H,5-7,9,11-12,15-17,19H2,1-4H3,(H,39,44)(H,42,45)(H,43,46)/b10-8-/t23-,24+,27-,28-,38-/m1/s1
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 9.40n/an/an/an/an/an/an/an/a



Janssen R&D Ireland; Medivir AB

US Patent


Assay Description
The aim of this in vitro assay was to measure the inhibition of HCV NS3/4A protease complexes by the compounds of the present invention. This assay p...

US Patent US8754106 (2014)


BindingDB Entry DOI: 10.7270/Q2V40SWX
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236570
PNG
(US9365582, 12)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2cccc(C)c2n1 |r,c:21|
Show InChI InChI=1S/C30H37N3O6/c1-4-38-25-16-24(21-12-9-10-18(2)26(21)31-25)39-20-14-22-23(15-20)28(35)33(3)13-8-6-5-7-11-19-17-30(19,29(36)37)32-27(22)34/h7,9-12,16,19-20,22-23H,4-6,8,13-15,17H2,1-3H3,(H,32,34)(H,36,37)/b11-7-/t19-,20-,22-,23-,30-/m1/s1
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 17n/an/an/an/an/an/a7.5n/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236562
PNG
(US9365582, 2)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2ccc(OC)c(C)c2n1 |r,c:21|
Show InChI InChI=1S/C31H39N3O7/c1-5-40-26-16-25(21-11-12-24(39-4)18(2)27(21)32-26)41-20-14-22-23(15-20)29(36)34(3)13-9-7-6-8-10-19-17-31(19,30(37)38)33-28(22)35/h8,10-12,16,19-20,22-23H,5-7,9,13-15,17H2,1-4H3,(H,33,35)(H,37,38)/b10-8-/t19-,20-,22-,23-,31-/m1/s1
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 37n/an/an/an/an/an/a7.5n/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236564
PNG
(US9365582, 4)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2ccc(OC)cc2n1 |r,c:21|
Show InChI InChI=1S/C30H37N3O7/c1-4-39-26-16-25(21-11-10-19(38-3)15-24(21)31-26)40-20-13-22-23(14-20)28(35)33(2)12-8-6-5-7-9-18-17-30(18,29(36)37)32-27(22)34/h7,9-11,15-16,18,20,22-23H,4-6,8,12-14,17H2,1-3H3,(H,32,34)(H,36,37)/b9-7-/t18-,20-,22-,23-,30-/m1/s1
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 46n/an/an/an/an/an/a7.5n/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein [1027-1711]


(Hepatitis C virus genotype 1a (strain H77) (HCV))		BDBM236572
PNG
(US9365582, 14)
Show SMILES CCOc1cc(O[C@@H]2C[C@@H]3[C@@H](C2)C(=O)N(C)CCCC\C=C/[C@@H]2C[C@]2(NC3=O)C(O)=O)c2ccc3OCOc3c2n1 |r,c:21|
Show InChI InChI=1S/C30H35N3O8/c1-3-38-24-14-23(19-9-10-22-26(25(19)31-24)40-16-39-22)41-18-12-20-21(13-18)28(35)33(2)11-7-5-4-6-8-17-15-30(17,29(36)37)32-27(20)34/h6,8-10,14,17-18,20-21H,3-5,7,11-13,15-16H2,1-2H3,(H,32,34)(H,36,37)/b8-6-/t17-,18-,20-,21-,30-/m1/s1
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 58n/an/an/an/an/an/a7.5n/a



Janssen Sciences Ireland UC

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US9365582 (2016)


BindingDB Entry DOI: 10.7270/Q2VM4B5G
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)		BDBM123409
PNG
(US8741926, 81)
Show SMILES COc1ccc2c(O[C@H]3C[C@@H]4[C@@H](C3)C(=O)N[C@@]3(C[C@H]3\C=C/CCCCCNC4=O)C(O)=O)cc(nc2c1C)-c1nc(cs1)C(C)C |r,c:21|
Show InChI InChI=1S/C35H42N4O6S/c1-19(2)27-18-46-33(38-27)26-16-29(23-11-12-28(44-4)20(3)30(23)37-26)45-22-14-24-25(15-22)32(41)39-35(34(42)43)17-21(35)10-8-6-5-7-9-13-36-31(24)40/h8,10-12,16,18-19,21-22,24-25H,5-7,9,13-15,17H2,1-4H3,(H,36,40)(H,39,41)(H,42,43)/b10-8-/t21-,22+,24-,25-,35-/m1/s1
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US Patent
 1.00E+3 -34.8n/an/an/an/an/a7.530



Janssen R&D Ireland; Medivir AB

US Patent


Assay Description
The inhibition of full-length hepatitis C NS3 protease enzyme was measured essentially as described in Poliakov, 2002 Prot Expression & Purification ...

US Patent US8741926 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XBC
More data for this
Ligand-Target Pair
Hemagglutinin


()		BDBM611021
PNG
(US10626108, Compound 15)
Show SMILES Cc1nc(nc(N[C@H]2CCC[C@H](C2)NC(=O)c2cnn[nH]2)c1F)-c1c[nH]c2c(F)cc(F)cc12 |r,$;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;$|
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n/an/a 0.200n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2TX3KH8
More data for this
Ligand-Target Pair
Polymerase basic protein 2


(Influenza A virus (strain A/WS/1933 H1N1))		BDBM552303
PNG
(US11312727, Compound 123A)
Show SMILES Oc1c2C(=O)N3CN([C@H](c4ccccc4C4CC4)c4cccc(Cl)c4OC\C=C\C3)n2ccc1=O |r,t:30|
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
EN PA FRET inhibition assay was performed using a 19 nucleotide synthetic oligoribonucleotide substrate: 5′-FAM-AUUUUGUUUUUAAUAUUUC-BHQ-3′...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2P272BG
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529372
PNG
(US11198699, Compound 2)
Show SMILES CC[C@]1(CCc2ccc3ccc(N)nc3n2)C[C@H]([C@@H]2OC(C)(C)O[C@H]12)n1ccc2c(N)ncnc12 |r|
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Assay 1: Compounds were tested for inhibition of methyltransferase activity in a radioisotope filter binding assay, similar to previously described i...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Polymerase basic protein 2


(Influenza A virus (strain A/WS/1933 H1N1))		BDBM552356
PNG
((17a*R,*E)-24,25-difluoro-12-hydroxy-2,6,9,17a-tet...)
Show SMILES Oc1c2C(=O)N3CN([C@@H]4c5ccccc5SCc5c(F)c(F)cc(OC\C=C/C3)c45)n2ccc1=O |r,c:27|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
EN PA FRET inhibition assay was performed using a 19 nucleotide synthetic oligoribonucleotide substrate: 5′-FAM-AUUUUGUUUUUAAUAUUUC-BHQ-3′...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2P272BG
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529374
PNG
(US11198699, Compound 4 | US11198699, Compound 42)
Show SMILES C[C@]1(CCc2cc(F)c3ccc(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncc(F)c12 |r|
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TBA

Assay Description
Assay 1: Compounds were tested for inhibition of methyltransferase activity in a radioisotope filter binding assay, similar to previously described i...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529374
PNG
(US11198699, Compound 4 | US11198699, Compound 42)
Show SMILES C[C@]1(CCc2cc(F)c3ccc(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncc(F)c12 |r|
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TBA

Assay Description
Assay 2: Compounds were tested for inhibition of methyltransferase activity in 384-well plate assay format using mass spectrometry technology. In thi...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529375
PNG
(US11198699, Compound 5)
Show SMILES CC1(C)O[C@H]2[C@@H](C[C@@](CCc3cc(F)c4cc(Cl)c(N)nc4c3)(C=O)[C@H]2O1)n1ccc2c(Cl)ncnc12 |r|
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TBA

Assay Description
Assay 1: Compounds were tested for inhibition of methyltransferase activity in a radioisotope filter binding assay, similar to previously described i...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529375
PNG
(US11198699, Compound 5)
Show SMILES CC1(C)O[C@H]2[C@@H](C[C@@](CCc3cc(F)c4cc(Cl)c(N)nc4c3)(C=O)[C@H]2O1)n1ccc2c(Cl)ncnc12 |r|
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TBA

Assay Description
Assay 2: Compounds were tested for inhibition of methyltransferase activity in 384-well plate assay format using mass spectrometry technology. In thi...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529377
PNG
(US11198699, Compound 7)
Show SMILES Nc1ncnc2n(ccc12)[C@@H]1[C@H]2C[C@@]2([C@H](O)c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@H]1O |r|
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Assay Description
Assay 1: Compounds were tested for inhibition of methyltransferase activity in a radioisotope filter binding assay, similar to previously described i...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529379
PNG
(US11198699, Compound 9)
Show SMILES Nc1nc2cc(OC[C@@]3(F)C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)ccc2cc1Br |r|
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Assay 1: Compounds were tested for inhibition of methyltransferase activity in a radioisotope filter binding assay, similar to previously described i...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529372
PNG
(US11198699, Compound 2)
Show SMILES CC[C@]1(CCc2ccc3ccc(N)nc3n2)C[C@H]([C@@H]2OC(C)(C)O[C@H]12)n1ccc2c(N)ncnc12 |r|
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Assay 2: Compounds were tested for inhibition of methyltransferase activity in 384-well plate assay format using mass spectrometry technology. In thi...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Polymerase basic protein 2


(Influenza A virus (strain A/WS/1933 H1N1))		BDBM552337
PNG
(US11312727, Compound 136A)
Show SMILES Oc1c2C(=O)N3CN([C@H](c4ccccc4C4CC4)c4ccc(F)c(F)c4OC\C=C/C3)n2ccc1=O |r,c:31|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
EN PA FRET inhibition assay was performed using a 19 nucleotide synthetic oligoribonucleotide substrate: 5′-FAM-AUUUUGUUUUUAAUAUUUC-BHQ-3′...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2P272BG
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529379
PNG
(US11198699, Compound 9)
Show SMILES Nc1nc2cc(OC[C@@]3(F)C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)ccc2cc1Br |r|
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TBA

Assay Description
Assay 2: Compounds were tested for inhibition of methyltransferase activity in 384-well plate assay format using mass spectrometry technology. In thi...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529380
PNG
(US11198699, Compound 10)
Show SMILES Cc1cc2ccc(OC[C@@]3(C)C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)cc2nc1N |r|
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TBA

Assay Description
Assay 1: Compounds were tested for inhibition of methyltransferase activity in a radioisotope filter binding assay, similar to previously described i...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529380
PNG
(US11198699, Compound 10)
Show SMILES Cc1cc2ccc(OC[C@@]3(C)C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)cc2nc1N |r|
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Assay Description
Assay 2: Compounds were tested for inhibition of methyltransferase activity in 384-well plate assay format using mass spectrometry technology. In thi...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529382
PNG
(US11198699, Compound 12 | US11198699, Compound 38)
Show SMILES C[C@]1(CCc2ccc3ccc(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|
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TBA

Assay Description
Assay 1: Compounds were tested for inhibition of methyltransferase activity in a radioisotope filter binding assay, similar to previously described i...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529382
PNG
(US11198699, Compound 12 | US11198699, Compound 38)
Show SMILES C[C@]1(CCc2ccc3ccc(N)nc3c2)C[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r|
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Assay Description
Assay 2: Compounds were tested for inhibition of methyltransferase activity in 384-well plate assay format using mass spectrometry technology. In thi...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529383
PNG
(US11198699, Compound 13)
Show SMILES Nc1ccc2ccc(CC[C@@]34C[C@@H]3[C@H]([C@H](O)[C@@H]4O)n3ccc4c(N)ncnc34)cc2n1 |r|
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Assay Description
Assay 1: Compounds were tested for inhibition of methyltransferase activity in a radioisotope filter binding assay, similar to previously described i...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
Methylosome protein 50/Protein arginine N-methyltransferase 5


(Homo sapiens (Human))		BDBM529383
PNG
(US11198699, Compound 13)
Show SMILES Nc1ccc2ccc(CC[C@@]34C[C@@H]3[C@H]([C@H](O)[C@@H]4O)n3ccc4c(N)ncnc34)cc2n1 |r|
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Assay Description
Assay 2: Compounds were tested for inhibition of methyltransferase activity in 384-well plate assay format using mass spectrometry technology. In thi...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2WS8XD6
More data for this
Ligand-Target Pair
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