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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'alexandre' and Initial = 'f'   
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)
BDBM50142916
PNG
((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...)
Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)NC(=O)OC3CCCC3)cc(nc2c1)-c1csc(NC(C)C)n1 |r,c:22|
Show InChI InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



IDENIX Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay


Bioorg Med Chem Lett 24: 4444-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)
BDBM50023510
PNG
(CHEMBL3326826)
Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4cc(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:47,@:7|
Show InChI InChI=1S/C37H46N6O7S2/c1-22(2)29-21-51-32(39-29)28-18-31(26-12-11-25(49-5)17-27(26)38-28)50-20-24-16-30-33(44)42(4)15-9-7-6-8-10-23-19-37(23,40-35(46)43(24)30)34(45)41-52(47,48)36(3)13-14-36/h8,10-12,17-18,21-24,30H,6-7,9,13-16,19-20H2,1-5H3,(H,40,46)(H,41,45)/b10-8-/t23-,24-,30-,37-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



IDENIX Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay


Bioorg Med Chem Lett 24: 4444-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)
BDBM50023579
PNG
(CHEMBL3326830)
Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4c(Cl)c(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:48,@:7|
Show InChI InChI=1S/C37H45ClN6O7S2/c1-21(2)26-20-52-32(40-26)25-17-29(24-11-12-28(50-5)30(38)31(24)39-25)51-19-23-16-27-33(45)43(4)15-9-7-6-8-10-22-18-37(22,41-35(47)44(23)27)34(46)42-53(48,49)36(3)13-14-36/h8,10-12,17,20-23,27H,6-7,9,13-16,18-19H2,1-5H3,(H,41,47)(H,42,46)/b10-8-/t22-,23-,27-,37-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



IDENIX Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay


Bioorg Med Chem Lett 24: 4444-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)
BDBM50023508
PNG
(CHEMBL3326539)
Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@@H](COc3cc(nc4cc(OC)ccc34)-c3ccccc3)C[C@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1CC1 |r,c:45,@:7|
Show InChI InChI=1S/C36H41N5O7S/c1-40-17-9-4-3-8-12-24-21-36(24,34(43)39-49(45,46)27-14-15-27)38-35(44)41-25(18-31(41)33(40)42)22-48-32-20-29(23-10-6-5-7-11-23)37-30-19-26(47-2)13-16-28(30)32/h5-8,10-13,16,19-20,24-25,27,31H,3-4,9,14-15,17-18,21-22H2,1-2H3,(H,38,44)(H,39,43)/b12-8-/t24-,25+,31+,36-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



IDENIX Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay


Bioorg Med Chem Lett 24: 4444-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)
BDBM50023578
PNG
(CHEMBL3326829)
Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4c(C)c(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:48,@:7|
Show InChI InChI=1S/C38H48N6O7S2/c1-22(2)28-21-52-33(40-28)27-18-31(26-12-13-30(50-6)23(3)32(26)39-27)51-20-25-17-29-34(45)43(5)16-10-8-7-9-11-24-19-38(24,41-36(47)44(25)29)35(46)42-53(48,49)37(4)14-15-37/h9,11-13,18,21-22,24-25,29H,7-8,10,14-17,19-20H2,1-6H3,(H,41,47)(H,42,46)/b11-9-/t24-,25-,29-,38-/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



IDENIX Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay


Bioorg Med Chem Lett 24: 4444-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50138406
PNG
(3TC Triphosphate | CHEMBL1230 | LAMIVUDINE | Lamiv...)
Show SMILES Nc1ccn([C@@H]2CS[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|
Show InChI InChI=1S/C8H14N3O12P3S/c9-5-1-2-11(8(12)10-5)6-4-27-7(21-6)3-20-25(16,17)23-26(18,19)22-24(13,14)15/h1-2,6-7H,3-4H2,(H,16,17)(H,18,19)(H2,9,10,12)(H2,13,14,15)/t6-,7+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Idenix an MSD Company

Curated by ChEMBL


Assay Description
Inhibition of full-length wild-type HIV1 reverse transcriptase expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before addition of t...


J Med Chem 61: 9218-9228 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00141
BindingDB Entry DOI: 10.7270/Q2NC63TK
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)
BDBM50023509
PNG
(CHEMBL3326540)
Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4c(F)c(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:48,@:7|
Show InChI InChI=1S/C37H45FN6O7S2/c1-21(2)26-20-52-32(40-26)25-17-29(24-11-12-28(50-5)30(38)31(24)39-25)51-19-23-16-27-33(45)43(4)15-9-7-6-8-10-22-18-37(22,41-35(47)44(23)27)34(46)42-53(48,49)36(3)13-14-36/h8,10-12,17,20-23,27H,6-7,9,13-16,18-19H2,1-5H3,(H,41,47)(H,42,46)/b10-8-/t22-,23-,27-,37-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



IDENIX Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay


Bioorg Med Chem Lett 24: 4444-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)
BDBM50023507
PNG
(CHEMBL3326538)
Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4cc(OC)ccc34)-c3ccccc3)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1CC1 |r,c:45,@:7|
Show InChI InChI=1S/C36H41N5O7S/c1-40-17-9-4-3-8-12-24-21-36(24,34(43)39-49(45,46)27-14-15-27)38-35(44)41-25(18-31(41)33(40)42)22-48-32-20-29(23-10-6-5-7-11-23)37-30-19-26(47-2)13-16-28(30)32/h5-8,10-13,16,19-20,24-25,27,31H,3-4,9,14-15,17-18,21-22H2,1-2H3,(H,38,44)(H,39,43)/b12-8-/t24-,25-,31-,36-/m0/s1
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n/an/a 45n/an/an/an/an/an/a



IDENIX Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay


Bioorg Med Chem Lett 24: 4444-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50459813
PNG
(CHEMBL4205384)
Show SMILES Cc1cn(C2CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C2)C#C)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H19N2O13P3/c1-3-13(7-26-30(22,23)28-31(24,25)27-29(19,20)21)5-9(4-10(13)16)15-6-8(2)11(17)14-12(15)18/h1,6,9-10,16H,4-5,7H2,2H3,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)
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n/an/a 114n/an/an/an/an/an/a



Idenix an MSD Company

Curated by ChEMBL


Assay Description
Inhibition of full-length wild-type HIV1 reverse transcriptase expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before addition of t...


J Med Chem 61: 9218-9228 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00141
BindingDB Entry DOI: 10.7270/Q2NC63TK
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426312
PNG
(US10513534, Compound 401)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
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n/an/a<250n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein [S283T]


(Hepatitis C virus genotype 1b (isolate Japanese) (...)
BDBM347262
PNG
(US10202411, Compound 308)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](CO)[C@H]1O |r|
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n/an/a<250n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10202411 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9F67
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM347262
PNG
(US10202411, Compound 308)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](CO)[C@H]1O |r|
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n/an/a<250n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10202411 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9F67
More data for this
Ligand-Target Pair
Genome polyprotein [S283T]


(Hepatitis C virus genotype 1b (isolate Japanese) (...)
BDBM347260
PNG
(US10202411, Compound 305)
Show SMILES OC[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)n1ccc(=O)[nH]c1=O |r|
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n/an/a<250n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10202411 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9F67
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM347260
PNG
(US10202411, Compound 305)
Show SMILES OC[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)n1ccc(=O)[nH]c1=O |r|
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n/an/a<250n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10202411 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9F67
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM347259
PNG
(US10202411, Compound 302)
Show SMILES O[C@@H]1[C@H](CF)[C@@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
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n/an/a<250n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10202411 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9F67
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426315
PNG
(US10513534, Compound 403)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1ccc2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H18ClN4O12P3/c1-12(13)8(18)7(4-26-31(22,23)29-32(24,25)28-30(19,20)21)27-11(12)17-3-2-6-9(14)15-5-16-10(6)17/h2-3,5,7-8,11,18H,4H2,1H3,(H,22,23)(H,24,25)(H2,14,15,16)(H2,19,20,21)/p-1/t7-,8-,11-,12-/m1/s1
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n/an/a<250n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent




US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426317
PNG
(US10513534, Compound 405)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1cnc2c1nc(N)[nH]c2=O |r|
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n/an/a<250n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent




US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426318
PNG
(US10513534, Compound 406)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C11H17ClN5O12P3/c1-11(12)7(18)5(2-26-31(22,23)29-32(24,25)28-30(19,20)21)27-10(11)17-4-16-6-8(13)14-3-15-9(6)17/h3-5,7,10,18H,2H2,1H3,(H,22,23)(H,24,25)(H2,13,14,15)(H2,19,20,21)/p-1/t5-,7-,10-,11-/m1/s1
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n/an/a<250n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426319
PNG
(US10513534, Compound 407)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1cc(F)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H17ClFN4O12P3/c1-12(13)8(19)6(3-27-32(23,24)30-33(25,26)29-31(20,21)22)28-11(12)18-2-5(14)7-9(15)16-4-17-10(7)18/h2,4,6,8,11,19H,3H2,1H3,(H,23,24)(H,25,26)(H2,15,16,17)(H2,20,21,22)/p-1/t6-,8-,11-,12-/m1/s1
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n/an/a<250n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent




US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein [S283T]


(Hepatitis C virus genotype 1b (isolate Japanese) (...)
BDBM347259
PNG
(US10202411, Compound 302)
Show SMILES O[C@@H]1[C@H](CF)[C@@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
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n/an/a<250n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10202411 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9F67
More data for this
Ligand-Target Pair
Genome polyprotein [S283T]


(Hepatitis C virus genotype 1b (isolate Japanese) (...)
BDBM347266
PNG
(US10202411, Compound 330)
Show SMILES Nc1nc(N)c2ncn([C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)[C@@H](CO)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C11H19N6O13P3/c12-8-6-9(16-11(13)15-8)17(3-14-6)10-7(19)4(1-18)5(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-5,7,10,18-19H,1-2H2,(H,23,24)(H,25,26)(H2,20,21,22)(H4,12,13,15,16)/p-3/t4-,5-,7-,10-/m1/s1
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n/an/a<250n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10202411 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9F67
More data for this
Ligand-Target Pair
Genome polyprotein [S283T]


(Hepatitis C virus genotype 1b (isolate Japanese) (...)
BDBM347265
PNG
(US10202411, Compound 327)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](CF)[C@H]1O |r|
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n/an/a<250n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10202411 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9F67
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM347265
PNG
(US10202411, Compound 327)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](CF)[C@H]1O |r|
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n/an/a<250n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10202411 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9F67
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50459816
PNG
(CHEMBL518606)
Show SMILES Nc1nc(F)nc2n(cnc12)[C@H]1C[C@H](O)[C@@](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(O1)C#C |r|
Show InChI InChI=1S/C12H15FN5O12P3/c1-2-12(4-27-32(23,24)30-33(25,26)29-31(20,21)22)6(19)3-7(28-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19H,3-4H2,(H,23,24)(H,25,26)(H2,14,16,17)(H2,20,21,22)/t6-,7+,12+/m0/s1
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n/an/a 263n/an/an/an/an/an/a



Idenix an MSD Company

Curated by ChEMBL


Assay Description
Inhibition of full-length wild-type HIV1 reverse transcriptase expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before addition of t...


J Med Chem 61: 9218-9228 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00141
BindingDB Entry DOI: 10.7270/Q2NC63TK
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)
BDBM50023581
PNG
(CHEMBL3326537)
Show SMILES [H][C@]12C[C@@]1(NC(=O)[C@@]1([H])C[C@H](COc3cc(nc4cc(OC)ccc34)-c3ccccc3)N1C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1CC1 |r,c:45|
Show InChI InChI=1S/C36H41N5O7S/c1-40-17-9-4-3-8-12-24-21-36(24,34(43)39-49(45,46)27-14-15-27)38-33(42)31-18-25(41(31)35(40)44)22-48-32-20-29(23-10-6-5-7-11-23)37-30-19-26(47-2)13-16-28(30)32/h5-8,10-13,16,19-20,24-25,27,31H,3-4,9,14-15,17-18,21-22H2,1-2H3,(H,38,42)(H,39,43)/b12-8-/t24-,25+,31+,36-/m0/s1
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n/an/a 278n/an/an/an/an/an/a



IDENIX Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay


Bioorg Med Chem Lett 24: 4444-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50459815
PNG
(CHEMBL4216055)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C1)C#C
Show InChI InChI=1S/C13H18N5O12P3/c1-2-13(5-28-32(24,25)30-33(26,27)29-31(21,22)23)4-7(3-8(13)19)18-6-15-9-10(18)16-12(14)17-11(9)20/h1,6-8,19H,3-5H2,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,16,17,20)
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n/an/a 324n/an/an/an/an/an/a



Idenix an MSD Company

Curated by ChEMBL


Assay Description
Inhibition of full-length wild-type HIV1 reverse transcriptase expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before addition of t...


J Med Chem 61: 9218-9228 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00141
BindingDB Entry DOI: 10.7270/Q2NC63TK
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50459812
PNG
(CHEMBL4214561)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C1)C#N
Show InChI InChI=1S/C12H17N6O12P3/c13-3-12(4-28-32(24,25)30-33(26,27)29-31(21,22)23)2-6(1-7(12)19)18-5-15-8-9(18)16-11(14)17-10(8)20/h5-7,19H,1-2,4H2,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,16,17,20)
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n/an/a 444n/an/an/an/an/an/a



Idenix an MSD Company

Curated by ChEMBL


Assay Description
Inhibition of full-length wild-type HIV1 reverse transcriptase expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before addition of t...


J Med Chem 61: 9218-9228 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00141
BindingDB Entry DOI: 10.7270/Q2NC63TK
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50459817
PNG
(CHEMBL4211088)
Show SMILES Cc1cn(C2CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C2)C#N)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H18N3O13P3/c1-7-4-15(11(18)14-10(7)17)8-2-9(16)12(3-8,5-13)6-26-30(22,23)28-31(24,25)27-29(19,20)21/h4,8-9,16H,2-3,6H2,1H3,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)
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n/an/a 523n/an/an/an/an/an/a



Idenix an MSD Company

Curated by ChEMBL


Assay Description
Inhibition of full-length wild-type HIV1 reverse transcriptase expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before addition of t...


J Med Chem 61: 9218-9228 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00141
BindingDB Entry DOI: 10.7270/Q2NC63TK
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM347268
PNG
(US10202411, Compound 332)
Show SMILES Cc1cn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)[C@@H](CO)[C@H]2O)c(=O)[nH]c1=O |r|
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n/an/a 625n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10202411 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9F67
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM347266
PNG
(US10202411, Compound 330)
Show SMILES Nc1nc(N)c2ncn([C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)[C@@H](CO)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C11H19N6O13P3/c12-8-6-9(16-11(13)15-8)17(3-14-6)10-7(19)4(1-18)5(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-5,7,10,18-19H,1-2H2,(H,23,24)(H,25,26)(H2,20,21,22)(H4,12,13,15,16)/p-3/t4-,5-,7-,10-/m1/s1
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n/an/a 625n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10202411 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9F67
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM347261
PNG
(US10202411, Compound 307)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](CO)[C@H]1O |r|
Show InChI InChI=1S/C11H18N5O13P3/c12-9-7-10(14-3-13-9)16(4-15-7)11-8(18)5(1-17)6(27-11)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-6,8,11,17-18H,1-2H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,6-,8-,11-/m1/s1
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n/an/a 625n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10202411 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9F67
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)
BDBM50023577
PNG
(CHEMBL3326828)
Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4c(Cl)c(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1CC1 |r,c:48,@:7|
Show InChI InChI=1S/C36H43ClN6O7S2/c1-20(2)26-19-51-32(39-26)25-16-29(24-12-13-28(49-4)30(37)31(24)38-25)50-18-22-15-27-33(44)42(3)14-8-6-5-7-9-21-17-36(21,40-35(46)43(22)27)34(45)41-52(47,48)23-10-11-23/h7,9,12-13,16,19-23,27H,5-6,8,10-11,14-15,17-18H2,1-4H3,(H,40,46)(H,41,45)/b9-7-/t21-,22-,27-,36-/m0/s1
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n/an/a<1.00E+3n/an/an/an/an/an/a



IDENIX Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay


Bioorg Med Chem Lett 24: 4444-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)
BDBM50023576
PNG
(CHEMBL3326827)
Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4c(C)c(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1CC1 |r,c:48,@:7|
Show InChI InChI=1S/C37H46N6O7S2/c1-21(2)28-20-51-33(39-28)27-17-31(26-13-14-30(49-5)22(3)32(26)38-27)50-19-24-16-29-34(44)42(4)15-9-7-6-8-10-23-18-37(23,40-36(46)43(24)29)35(45)41-52(47,48)25-11-12-25/h8,10,13-14,17,20-21,23-25,29H,6-7,9,11-12,15-16,18-19H2,1-5H3,(H,40,46)(H,41,45)/b10-8-/t23-,24-,29-,37-/m0/s1
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IDENIX Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay


Bioorg Med Chem Lett 24: 4444-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C virus)
BDBM50023580
PNG
(CHEMBL3326536)
Show SMILES [H][C@]12C[C@@]1(NC(=O)[C@]1([H])C[C@@H](COc3cc(nc4cc(OC)ccc34)-c3ccccc3)N1C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1CC1 |r,c:45|
Show InChI InChI=1S/C36H41N5O7S/c1-40-17-9-4-3-8-12-24-21-36(24,34(43)39-49(45,46)27-14-15-27)38-33(42)31-18-25(41(31)35(40)44)22-48-32-20-29(23-10-6-5-7-11-23)37-30-19-26(47-2)13-16-28(30)32/h5-8,10-13,16,19-20,24-25,27,31H,3-4,9,14-15,17-18,21-22H2,1-2H3,(H,38,42)(H,39,43)/b12-8-/t24-,25-,31-,36-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



IDENIX Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay


Bioorg Med Chem Lett 24: 4444-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.002
BindingDB Entry DOI: 10.7270/Q20C4XBK
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50459814
PNG
(CHEMBL4211602)
Show SMILES Nc1nc(F)nc2n(cnc12)C1CC(O)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)(C1)C#C
Show InChI InChI=1S/C13H17FN5O11P3/c1-2-13(5-28-32(24,25)30-33(26,27)29-31(21,22)23)4-7(3-8(13)20)19-6-16-9-10(15)17-12(14)18-11(9)19/h1,6-8,20H,3-5H2,(H,24,25)(H,26,27)(H2,15,17,18)(H2,21,22,23)
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n/an/a 3.46E+3n/an/an/an/an/an/a



Idenix an MSD Company

Curated by ChEMBL


Assay Description
Inhibition of full-length wild-type HIV1 reverse transcriptase expressed in Escherichia coli BL21(DE3) pre-incubated for 30 mins before addition of t...


J Med Chem 61: 9218-9228 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00141
BindingDB Entry DOI: 10.7270/Q2NC63TK
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM347264
PNG
(US10202411, Compound 326)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](CF)[C@H]1O |r|
Show InChI InChI=1S/C11H17FN5O12P3/c12-1-5-6(2-26-31(22,23)29-32(24,25)28-30(19,20)21)27-11(8(5)18)17-4-16-7-9(13)14-3-15-10(7)17/h3-6,8,11,18H,1-2H2,(H,22,23)(H,24,25)(H2,13,14,15)(H2,19,20,21)/t5-,6-,8-,11-/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10202411 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9F67
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426314
PNG
(US10513534, Compound 402)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1ccc(N)nc1=O |r|
Show InChI InChI=1S/C10H17ClN3O13P3/c1-10(11)7(15)5(25-8(10)14-3-2-6(12)13-9(14)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/p-1/t5-,7-,8-,10-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM347272
PNG
(US10202411, Compound 402)
Show SMILES OC[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP([O-])([O-])=O)n1ccc(=O)[nH]c1=O |r|
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10202411 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9F67
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM347258
PNG
(US10202411, Compound 301)
Show SMILES O[C@H]1[C@@H](O[C@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)[C@H]1C(F)F)n1ccc(=O)[nH]c1=O |r|
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10202411 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9F67
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM347263
PNG
(US10202411, Compound 325)
Show SMILES OC[C@@H]1[C@@H](COP(O)(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@H]([C@@H]1F)n1ccc(=O)[nH]c1=O |r|
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10202411 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9F67
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426315
PNG
(US10513534, Compound 403)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1ccc2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H18ClN4O12P3/c1-12(13)8(18)7(4-26-31(22,23)29-32(24,25)28-30(19,20)21)27-11(12)17-3-2-6-9(14)15-5-16-10(6)17/h2-3,5,7-8,11,18H,4H2,1H3,(H,22,23)(H,24,25)(H2,14,15,16)(H2,19,20,21)/p-1/t7-,8-,11-,12-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.25E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426312
PNG
(US10513534, Compound 401)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1ccc(=O)[nH]c1=O |r|
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.25E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent




US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426322
PNG
(US10513534, Compound 410)
Show SMILES Cc1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)[C@@H](O)[C@@]2(C)Cl)c(=O)[nH]c1=O |r|
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.25E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426323
PNG
(US10513534, Compound 411)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1cc(F)c(=O)[nH]c1=O |r|
PDB

UniProtKB/SwissProt

B.MOAD
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KEGG
PC cid
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UniChem
US Patent
n/an/a 6.25E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426321
PNG
(US10513534, Compound 409)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1cc(F)c(N)nc1=O |r|
Show InChI InChI=1S/C10H16ClFN3O13P3/c1-10(11)6(16)5(26-8(10)15-2-4(12)7(13)14-9(15)17)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h2,5-6,8,16H,3H2,1H3,(H,21,22)(H,23,24)(H2,13,14,17)(H2,18,19,20)/p-1/t5-,6-,8-,10-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.25E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426320
PNG
(US10513534, Compound 408)
Show SMILES Cc1cn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP([O-])([O-])=O)[C@@H](O)[C@@]2(C)Cl)c(=O)nc1N |r|
Show InChI InChI=1S/C11H19ClN3O13P3/c1-5-3-15(10(17)14-8(5)13)9-11(2,12)7(16)6(26-9)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-7,9,16H,4H2,1-2H3,(H,21,22)(H,23,24)(H2,13,14,17)(H2,18,19,20)/p-2/t6-,7-,9-,11-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.25E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426319
PNG
(US10513534, Compound 407)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1cc(F)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C12H17ClFN4O12P3/c1-12(13)8(19)6(3-27-32(23,24)30-33(25,26)29-31(20,21)22)28-11(12)18-2-5(14)7-9(15)16-4-17-10(7)18/h2,4,6,8,11,19H,3H2,1H3,(H,23,24)(H,25,26)(H2,15,16,17)(H2,20,21,22)/p-1/t6-,8-,11-,12-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.25E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426318
PNG
(US10513534, Compound 406)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C11H17ClN5O12P3/c1-11(12)7(18)5(2-26-31(22,23)29-32(24,25)28-30(19,20)21)27-10(11)17-4-16-6-8(13)14-3-15-9(6)17/h3-5,7,10,18H,2H2,1H3,(H,22,23)(H,24,25)(H2,13,14,15)(H2,19,20,21)/p-1/t5-,7-,10-,11-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.25E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent




US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM426317
PNG
(US10513534, Compound 405)
Show SMILES C[C@@]1(Cl)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)([O-])=O)O[C@H]1n1cnc2c1nc(N)[nH]c2=O |r|
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.25E+3n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; UNIVERSITE DE MONTPELLIER

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10513534 (2019)


BindingDB Entry DOI: 10.7270/Q2BC41XJ
More data for this
Ligand-Target Pair
Genome polyprotein


(Hepatitis C Virus (Virus))
BDBM347270
PNG
(US10202411, Compound 335)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](CO)[C@@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)O1 |r|
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
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UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



IDENIX PHARMACEUTICALS LLC

US Patent


Assay Description
Test compounds in the form of nucleoside triphosphates were examined for inhibitory activity against purified HCV polymerase in a standard assay. Bac...


US Patent US10202411 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9F67
More data for this
Ligand-Target Pair
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