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Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'yoshida' and Initial = 'r'   
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
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508967
PNG
(CHEMBL3944613)
Show SMILES OC(=O)c1cn(CC2(CCCC2)n2ccc3cccnc23)cc(O)c1=O
Show InChI InChI=1S/C19H19N3O4/c23-15-11-21(10-14(16(15)24)18(25)26)12-19(6-1-2-7-19)22-9-5-13-4-3-8-20-17(13)22/h3-5,8-11,23H,1-2,6-7,12H2,(H,25,26)
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM105203
PNG
(6-(4-Fluorophenyl)-3-hydroxy-5-[4-(1H-1, 2, 3, 4-t...)
Show SMILES Oc1cc(-c2ccc(cc2)-c2nnn[nH]2)c([nH]c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C18H12FN5O2/c19-13-7-5-11(6-8-13)16-14(9-15(25)18(26)20-16)10-1-3-12(4-2-10)17-21-23-24-22-17/h1-9,25H,(H,20,26)(H,21,22,23,24)
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508966
PNG
(CHEMBL4452342)
Show SMILES CN(Cc1cc(=O)c(O)cn1-c1ccc(cc1)-c1nnn[nH]1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClN6O2/c1-26(15-8-4-14(21)5-9-15)11-17-10-18(28)19(29)12-27(17)16-6-2-13(3-7-16)20-22-24-25-23-20/h2-10,12,29H,11H2,1H3,(H,22,23,24,25)
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508959
PNG
(CHEMBL4439208)
Show SMILES COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(C(O)=O)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C25H24N2O6/c1-33-13-12-26-15-19(20(16-8-4-2-5-9-16)17-10-6-3-7-11-17)27-14-18(25(31)32)22(28)23(29)21(27)24(26)30/h2-11,14,19-20,29H,12-13,15H2,1H3,(H,31,32)/t19-/m1/s1
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508952
PNG
(CHEMBL4513495)
Show SMILES CN1C[C@H](C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C22H20N2O3/c1-23-14-17(24-13-12-18(25)21(26)20(24)22(23)27)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,17,19,26H,14H2,1H3/t17-/m1/s1
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508974
PNG
(CHEMBL4462899)
Show SMILES COCCN1CN(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H23N3O4/c1-30-15-14-24-16-26(25-13-12-19(27)22(28)21(25)23(24)29)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,20,28H,14-16H2,1H3
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508951
PNG
(CHEMBL4593284)
Show SMILES COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(OC)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C25H26N2O5/c1-31-14-13-26-15-19(27-16-20(32-2)23(28)24(29)22(27)25(26)30)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19,21,29H,13-15H2,1-2H3/t19-/m1/s1
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508969
PNG
(CHEMBL4452525)
Show SMILES COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(Cl)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C24H23ClN2O4/c1-31-13-12-26-15-19(27-14-18(25)22(28)23(29)21(27)24(26)30)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,19-20,29H,12-13,15H2,1H3/t19-/m1/s1
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508973
PNG
(CHEMBL4468072)
Show SMILES COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C24H24N2O4/c1-30-15-14-25-16-19(26-13-12-20(27)23(28)22(26)24(25)29)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,19,21,28H,14-16H2,1H3/t19-/m1/s1
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508968
PNG
(CHEMBL4471885)
Show SMILES COCCN1CN(C(c2ccccc2)c2ccccc2)n2cc(C(O)=O)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C24H23N3O6/c1-33-13-12-25-15-27(19(16-8-4-2-5-9-16)17-10-6-3-7-11-17)26-14-18(24(31)32)21(28)22(29)20(26)23(25)30/h2-11,14,19,29H,12-13,15H2,1H3,(H,31,32)
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508976
PNG
(CHEMBL4440459)
Show SMILES CN1CN(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O
Show InChI InChI=1S/C21H19N3O3/c1-22-14-24(23-13-12-17(25)20(26)19(23)21(22)27)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,18,26H,14H2,1H3
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508963
PNG
(CHEMBL4539860)
Show SMILES CC(C)N1C[C@H](C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C24H24N2O3/c1-16(2)26-15-19(25-14-13-20(27)23(28)22(25)24(26)29)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,16,19,21,28H,15H2,1-2H3/t19-/m1/s1
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508970
PNG
(CHEMBL4463676)
Show SMILES COCCN1C[C@H](Cc2ccccc2)n2cc(C(O)=O)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C19H20N2O6/c1-27-8-7-20-10-13(9-12-5-3-2-4-6-12)21-11-14(19(25)26)16(22)17(23)15(21)18(20)24/h2-6,11,13,23H,7-10H2,1H3,(H,25,26)/t13-/m0/s1
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM346898
PNG
(US10202379, Reference Example 557)
Show SMILES COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(C)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C25H26N2O4/c1-17-15-27-20(16-26(13-14-31-2)25(30)22(27)24(29)23(17)28)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15,20-21,29H,13-14,16H2,1-2H3/t20-/m1/s1
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508964
PNG
(CHEMBL4465872)
Show SMILES CC(C)N1CN(C(c2ccccc2)c2ccccc2)n2ccc(=O)c(O)c2C1=O
Show InChI InChI=1S/C23H23N3O3/c1-16(2)24-15-26(25-14-13-19(27)22(28)21(25)23(24)29)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,16,20,28H,15H2,1-2H3
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508960
PNG
(CHEMBL4473580)
Show SMILES CCOC(=O)c1cn2[C@H](CN(CCOC)C(=O)c2c(O)c1=O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H28N2O6/c1-3-35-27(33)20-16-29-21(17-28(14-15-34-2)26(32)23(29)25(31)24(20)30)22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16,21-22,31H,3,14-15,17H2,1-2H3/t21-/m1/s1
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508962
PNG
(CHEMBL4439050)
Show SMILES COCCN1C[C@H](C(c2ccccc2)c2ccccc2)n2cc(N)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C24H25N3O4/c1-31-13-12-26-15-19(27-14-18(25)22(28)23(29)21(27)24(26)30)20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,19-20,29H,12-13,15,25H2,1H3/t19-/m1/s1
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508971
PNG
(CHEMBL4535763)
Show SMILES COCCN1CN(Cc2ccc(F)cc2)n2cc(C(O)=O)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C18H18FN3O6/c1-28-7-6-20-10-21(8-11-2-4-12(19)5-3-11)22-9-13(18(26)27)15(23)16(24)14(22)17(20)25/h2-5,9,24H,6-8,10H2,1H3,(H,26,27)
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Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50122448
PNG
(CHEMBL463590 | L-742001)
Show SMILES OC(=O)C(\O)=C\C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,14,26H,10-13,15-16H2,(H,28,29)/b20-14-
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n/an/a 430n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508975
PNG
(CHEMBL4457315)
Show SMILES Oc1cc2cc(ccc2oc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C15H9FO3/c16-12-4-1-9(2-5-12)10-3-6-14-11(7-10)8-13(17)15(18)19-14/h1-8,17H
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n/an/a 500n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508965
PNG
(CHEMBL4521905)
Show SMILES Oc1c2C(=O)N(Cc3ccco3)CN(C(c3ccccc3)c3ccccc3)n2ccc1=O
Show InChI InChI=1S/C25H21N3O4/c29-21-13-14-27-23(24(21)30)25(31)26(16-20-12-7-15-32-20)17-28(27)22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-15,22,30H,16-17H2
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n/an/a 588n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50385531
PNG
(CHEMBL2040602)
Show SMILES COc1ccc(C=c2[nH]c(=CC(C)C)c(=O)n(O)c2=O)cc1 |w:10.10,6.5|
Show InChI InChI=1S/C16H18N2O4/c1-10(2)8-13-15(19)18(21)16(20)14(17-13)9-11-4-6-12(22-3)7-5-11/h4-10,17,21H,1-3H3
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n/an/a 800n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50390688
PNG
(CHEMBL2070214)
Show SMILES Oc1ccc(CCNC(=O)c2cc3cc(O)c(O)cc3[nH]2)cc1O
Show InChI InChI=1S/C17H16N2O5/c20-13-2-1-9(5-14(13)21)3-4-18-17(24)12-6-10-7-15(22)16(23)8-11(10)19-12/h1-2,5-8,19-23H,3-4H2,(H,18,24)
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n/an/a 940n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus CEN


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508957
PNG
(CHEMBL4466776)
Show SMILES COCCN1C[C@H](CCc2ccccc2)n2cc(C(O)=O)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C20H22N2O6/c1-28-10-9-21-11-14(8-7-13-5-3-2-4-6-13)22-12-15(20(26)27)17(23)18(24)16(22)19(21)25/h2-6,12,14,24H,7-11H2,1H3,(H,26,27)/t14-/m0/s1
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n/an/a 1.35E+3n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508961
PNG
(CHEMBL4449735)
Show SMILES CNC(=O)c1cn2[C@H](CN(CCOC)C(=O)c2c(O)c1=O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H27N3O5/c1-27-25(32)19-15-29-20(16-28(13-14-34-2)26(33)22(29)24(31)23(19)30)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15,20-21,31H,13-14,16H2,1-2H3,(H,27,32)/t20-/m1/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50122448
PNG
(CHEMBL463590 | L-742001)
Show SMILES OC(=O)C(\O)=C\C(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H24ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,14,26H,10-13,15-16H2,(H,28,29)/b20-14-
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n/an/a 2.21E+3n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508972
PNG
(CHEMBL4589956)
Show SMILES COCCN1C[C@H](C(C)C)n2cc(C(O)=O)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C15H20N2O6/c1-8(2)10-7-16(4-5-23-3)14(20)11-13(19)12(18)9(15(21)22)6-17(10)11/h6,8,10,19H,4-5,7H2,1-3H3,(H,21,22)/t10-/m1/s1
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n/an/a 2.99E+3n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508958
PNG
(CHEMBL4586765)
Show SMILES COCCN1C[C@H](CC(C)C)n2cc(C(O)=O)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C16H22N2O6/c1-9(2)6-10-7-17(4-5-24-3)15(21)12-14(20)13(19)11(16(22)23)8-18(10)12/h8-10,20H,4-7H2,1-3H3,(H,22,23)/t10-/m0/s1
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n/an/a 9.31E+3n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508955
PNG
(CHEMBL4474376)
Show SMILES COCCN1C[C@@H](Cc2ccccc2)n2cc(C(O)=O)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C19H20N2O6/c1-27-8-7-20-10-13(9-12-5-3-2-4-6-12)21-11-14(19(25)26)16(22)17(23)15(21)18(20)24/h2-6,11,13,23H,7-10H2,1H3,(H,25,26)/t13-/m1/s1
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n/an/a 2.74E+4n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508956
PNG
(CHEMBL4445105)
Show SMILES COCCN1C[C@H](c2ccccc2)n2cc(C(O)=O)c(=O)c(O)c2C1=O |r|
Show InChI InChI=1S/C18H18N2O6/c1-26-8-7-19-10-13(11-5-3-2-4-6-11)20-9-12(18(24)25)15(21)16(22)14(20)17(19)23/h2-6,9,13,22H,7-8,10H2,1H3,(H,24,25)/t13-/m1/s1
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n/an/a 2.78E+4n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508953
PNG
(CHEMBL4435971)
Show SMILES COCCN1CCn2cc(C(O)=O)c(=O)c(O)c2C1=O
Show InChI InChI=1S/C12H14N2O6/c1-20-5-4-13-2-3-14-6-7(12(18)19)9(15)10(16)8(14)11(13)17/h6,16H,2-5H2,1H3,(H,18,19)
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n/an/a 6.86E+4n/an/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/WSN/1933(H1N1)) CEN using m7G[5']-ppp-[5'] [m2'-O]GAA UAU(-Cy3) GCA UCA CUA GUA AGC UUU GCU CUA(-BHQ2)-3' as subst...


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair
Polymerase acidic protein


(Hepatitis C virus)
BDBM50508954
PNG
(CHEMBL4217762)
Show SMILES O=C1N\C(S\C1=C1/C(=O)Nc2ccccc12)=N/N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C19H11N5O3S/c25-16-13(9-5-1-3-7-11(9)20-16)15-18(27)22-19(28-15)24-23-14-10-6-2-4-8-12(10)21-17(14)26/h1-8H,(H,20,25)(H,21,23,26)(H,22,24,27)/b15-13-
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n/an/an/a 1.10E+3n/an/an/an/an/a



Shionogi & Company

Curated by ChEMBL


Assay Description
Binding affinity to Influenza A virus CEN expressed in Escherichia coli by isothermal titration calorimetry


J Med Chem 62: 8101-8114 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00861
BindingDB Entry DOI: 10.7270/Q2K35XZJ
More data for this
Ligand-Target Pair