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Compile Data Set for Download or QSAR

Found 211 hits with Last Name = 'adachi' and Initial = 't'   
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
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50370763
PNG
(CHEMBL1203926)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4N(CCN4CCCCC4)CCn3c2c1
Show InChI InChI=1S/C30H37N3O2/c34-30(35)23-13-14-24-27(21-23)33-20-19-32(18-17-31-15-7-2-8-16-31)26-12-6-5-11-25(26)29(33)28(24)22-9-3-1-4-10-22/h5-6,11-14,21-22H,1-4,7-10,15-20H2,(H,34,35)
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n/an/a 9n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199051
PNG
(3-benzyloxy-12-cyclohexyl-6,7-dihydro-5-oxa-7a-aza...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccc(OCc5ccccc5)cc4OCCn3c2c1
Show InChI InChI=1S/C30H29NO4/c32-30(33)22-11-13-24-26(17-22)31-15-16-34-27-18-23(35-19-20-7-3-1-4-8-20)12-14-25(27)29(31)28(24)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,17-18,21H,2,5-6,9-10,15-16,19H2,(H,32,33)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50370761
PNG
(CHEMBL1204385)
Show SMILES CN(C)CCN1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12
Show InChI InChI=1S/C27H33N3O2/c1-28(2)14-15-29-16-17-30-24-18-20(27(31)32)12-13-21(24)25(19-8-4-3-5-9-19)26(30)22-10-6-7-11-23(22)29/h6-7,10-13,18-19H,3-5,8-9,14-17H2,1-2H3,(H,31,32)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199043
PNG
(13-cyclohexyl-5-methyl-6,7-dihydro-5H-benzo[5,6][1...)
Show SMILES CN1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12
Show InChI InChI=1S/C24H26N2O2/c1-25-13-14-26-21-15-17(24(27)28)11-12-18(21)22(16-7-3-2-4-8-16)23(26)19-9-5-6-10-20(19)25/h5-6,9-12,15-16H,2-4,7-8,13-14H2,1H3,(H,27,28)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50370762
PNG
(CHEMBL1203925)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4NCCn3c2c1
Show InChI InChI=1S/C23H24N2O2/c26-23(27)16-10-11-18-20(14-16)25-13-12-24-19-9-5-4-8-17(19)22(25)21(18)15-6-2-1-3-7-15/h4-5,8-11,14-15,24H,1-3,6-7,12-13H2,(H,26,27)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199042
PNG
(13-cyclohexyl-5-(dimethylcarbamoylmethyl)-6,7-dihy...)
Show SMILES CN(C)C(=O)CN1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12
Show InChI InChI=1S/C27H31N3O3/c1-28(2)24(31)17-29-14-15-30-23-16-19(27(32)33)12-13-20(23)25(18-8-4-3-5-9-18)26(30)21-10-6-7-11-22(21)29/h6-7,10-13,16,18H,3-5,8-9,14-15,17H2,1-2H3,(H,32,33)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199046
PNG
(13-cyclohexyl-5-(2-phenylethyl)-6,7-dihydro-5H-ben...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4N(CCc4ccccc4)CCn3c2c1
Show InChI InChI=1S/C31H32N2O2/c34-31(35)24-15-16-25-28(21-24)33-20-19-32(18-17-22-9-3-1-4-10-22)27-14-8-7-13-26(27)30(33)29(25)23-11-5-2-6-12-23/h1,3-4,7-10,13-16,21,23H,2,5-6,11-12,17-20H2,(H,34,35)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199058
PNG
(12-cyclohexyl-6,7-dihydro-5-oxa-7a-azadibenzo[a,e]...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4OCCn3c2c1
Show InChI InChI=1S/C23H23NO3/c25-23(26)16-10-11-17-19(14-16)24-12-13-27-20-9-5-4-8-18(20)22(24)21(17)15-6-2-1-3-7-15/h4-5,8-11,14-15H,1-3,6-7,12-13H2,(H,25,26)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199048
PNG
(13-cyclohexyl-5-iso-propyl-6,7-dihydro-5H-benzo[5,...)
Show SMILES CC(C)N1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12
Show InChI InChI=1S/C26H30N2O2/c1-17(2)27-14-15-28-23-16-19(26(29)30)12-13-20(23)24(18-8-4-3-5-9-18)25(28)21-10-6-7-11-22(21)27/h6-7,10-13,16-18H,3-5,8-9,14-15H2,1-2H3,(H,29,30)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199049
PNG
(12-cyclohexyl-6,7-dihydro-5-thia-7a-azadibenzo[a,e...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4SCCn3c2c1
Show InChI InChI=1S/C23H23NO2S/c25-23(26)16-10-11-17-19(14-16)24-12-13-27-20-9-5-4-8-18(20)22(24)21(17)15-6-2-1-3-7-15/h4-5,8-11,14-15H,1-3,6-7,12-13H2,(H,25,26)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199047
PNG
(13-cyclohexyl-5-benzyl-6,7-dihydro-5H-benzo[5,6][1...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4N(Cc4ccccc4)CCn3c2c1
Show InChI InChI=1S/C30H30N2O2/c33-30(34)23-15-16-24-27(19-23)32-18-17-31(20-21-9-3-1-4-10-21)26-14-8-7-13-25(26)29(32)28(24)22-11-5-2-6-12-22/h1,3-4,7-10,13-16,19,22H,2,5-6,11-12,17-18,20H2,(H,33,34)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199050
PNG
(2-[(12-cyclohexyl-6,7-dihydro-5-oxa-7a-aza-dibenzo...)
Show SMILES CC(C)(NC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4OCCn3c2c1)C(O)=O
Show InChI InChI=1S/C27H30N2O4/c1-27(2,26(31)32)28-25(30)18-12-13-19-21(16-18)29-14-15-33-22-11-7-6-10-20(22)24(29)23(19)17-8-4-3-5-9-17/h6-7,10-13,16-17H,3-5,8-9,14-15H2,1-2H3,(H,28,30)(H,31,32)
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n/an/a 46n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199054
PNG
(14-cyclohexyl-7,8-dihydro-6H-indole[1,2e][1,5]benz...)
Show SMILES OC(=O)c1ccc2C(C3CCCCC3)=C3C(CCCOc4ccccc34)c2c1
Show InChI InChI=1S/C25H26O3/c26-25(27)17-12-13-19-21(15-17)18-10-6-14-28-22-11-5-4-9-20(22)24(18)23(19)16-7-2-1-3-8-16/h4-5,9,11-13,15-16,18H,1-3,6-8,10,14H2,(H,26,27)
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n/an/a 47n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199056
PNG
(13-cyclohexyl-6,7-dihydro-5H-benzo[3,4]azepino[1,2...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4CCCn3c2c1
Show InChI InChI=1S/C24H25NO2/c26-24(27)18-12-13-20-21(15-18)25-14-6-10-16-7-4-5-11-19(16)23(25)22(20)17-8-2-1-3-9-17/h4-5,7,11-13,15,17H,1-3,6,8-10,14H2,(H,26,27)
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n/an/a 77n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181941
PNG
(2-(4-(benzhydryloxy)-2-fluorophenyl)-1-cyclohexyl-...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2ccccc2)cc1F
Show InChI InChI=1S/C33H29FN2O3/c34-28-21-26(39-31(22-10-4-1-5-11-22)23-12-6-2-7-13-23)17-18-27(28)32-35-29-20-24(33(37)38)16-19-30(29)36(32)25-14-8-3-9-15-25/h1-2,4-7,10-13,16-21,25,31H,3,8-9,14-15H2,(H,37,38)
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n/an/a 96n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199053
PNG
(5-acetyl-13-cyclohexyl-6,7-dihydro-5H-benzo[5,6][1...)
Show SMILES CC(=O)N1CCn2c(c(C3CCCCC3)c3ccc(cc23)C(O)=O)-c2ccccc12
Show InChI InChI=1S/C25H26N2O3/c1-16(28)26-13-14-27-22-15-18(25(29)30)11-12-19(22)23(17-7-3-2-4-8-17)24(27)20-9-5-6-10-21(20)26/h5-6,9-12,15,17H,2-4,7-8,13-14H2,1H3,(H,29,30)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199059
PNG
(2-(4-(benzyloxy)phenyl)-3-cyclohexyl-1-methyl-1H-i...)
Show SMILES Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C29H29NO3/c1-30-26-18-23(29(31)32)14-17-25(26)27(21-10-6-3-7-11-21)28(30)22-12-15-24(16-13-22)33-19-20-8-4-2-5-9-20/h2,4-5,8-9,12-18,21H,3,6-7,10-11,19H2,1H3,(H,31,32)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199052
PNG
(11-cyclohexyl-5-oxa-6a-azabenzo[a]fluorene-8-carbo...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4OCn3c2c1
Show InChI InChI=1S/C22H21NO3/c24-22(25)15-10-11-16-18(12-15)23-13-26-19-9-5-4-8-17(19)21(23)20(16)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2,(H,24,25)
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n/an/a 140n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199045
PNG
(12-cyclohexyl-5,6-dihydroindolo[2,1-a]isoquinoline...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4CCn3c2c1
Show InChI InChI=1S/C23H23NO2/c25-23(26)17-10-11-19-20(14-17)24-13-12-15-6-4-5-9-18(15)22(24)21(19)16-7-2-1-3-8-16/h4-6,9-11,14,16H,1-3,7-8,12-13H2,(H,25,26)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50199057
PNG
(11-cyclohexyl-6H-isoindolo[2,1-a]indole-3-carboxyl...)
Show SMILES OC(=O)c1ccc2c(C3CCCCC3)c3-c4ccccc4Cn3c2c1
Show InChI InChI=1S/C22H21NO2/c24-22(25)15-10-11-18-19(12-15)23-13-16-8-4-5-9-17(16)21(23)20(18)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2,(H,24,25)
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n/an/a 210n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HCV NS5B RNA polymerase


J Med Chem 49: 6950-3 (2006)


Article DOI: 10.1021/jm0610245
BindingDB Entry DOI: 10.7270/Q2XD12GM
More data for this
Ligand-Target Pair
CD22


(Homo sapiens)
BDBM50274307
PNG
(CHEMBL511111 | p-Methoxyphenyl (3,5,9-trideoxy-5-g...)
Show SMILES COc1ccc(O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O3)[C@H](O)[C@H](O)CNCc3ccc(cc3)-c3ccccc3O)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C37H46N2O16/c1-51-21-10-12-22(13-11-21)53-35-33(48)32(47)31(46)27(54-35)18-52-37(36(49)50)14-25(42)29(39-28(44)17-40)34(55-37)30(45)26(43)16-38-15-19-6-8-20(9-7-19)23-4-2-3-5-24(23)41/h2-13,25-27,29-35,38,40-43,45-48H,14-18H2,1H3,(H,39,44)(H,49,50)/t25-,26+,27+,29+,30+,31-,32-,33+,34+,35+,37+/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
CD22


(Homo sapiens)
BDBM50274303
PNG
(CHEMBL502862 | p-Methoxyphenyl (3,5,9-trideoxy-5-g...)
Show SMILES COc1ccc(O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O3)[C@H](O)[C@H](O)CNCc3ccc(cc3)-c3ccc(O)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C37H46N2O16/c1-51-23-10-12-24(13-11-23)53-35-33(48)32(47)31(46)27(54-35)18-52-37(36(49)50)14-25(42)29(39-28(44)17-40)34(55-37)30(45)26(43)16-38-15-19-2-4-20(5-3-19)21-6-8-22(41)9-7-21/h2-13,25-27,29-35,38,40-43,45-48H,14-18H2,1H3,(H,39,44)(H,49,50)/t25-,26+,27+,29+,30+,31-,32-,33+,34+,35+,37+/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181938
PNG
(1-Cyclohexyl-2-[2-fluoro-4-(phenyl-pyridin-3-yl-me...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2cccnc2)cc1F
Show InChI InChI=1S/C32H28FN3O3/c33-27-19-25(39-30(21-8-3-1-4-9-21)23-10-7-17-34-20-23)14-15-26(27)31-35-28-18-22(32(37)38)13-16-29(28)36(31)24-11-5-2-6-12-24/h1,3-4,7-10,13-20,24,30H,2,5-6,11-12H2,(H,37,38)
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n/an/a 270n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181936
PNG
(2-[4-(biphenyl-2-ylmethoxy)-phenyl]-1-cyclohexyl-1...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C33H30N2O3/c36-33(37)25-17-20-31-30(21-25)34-32(35(31)27-12-5-2-6-13-27)24-15-18-28(19-16-24)38-22-26-11-7-8-14-29(26)23-9-3-1-4-10-23/h1,3-4,7-11,14-21,27H,2,5-6,12-13,22H2,(H,36,37)
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n/an/a 300n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181927
PNG
(2-(4-(bis(4-fluorophenyl)methoxy)-2-fluorophenyl)-...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1F
Show InChI InChI=1S/C33H27F3N2O3/c34-23-11-6-20(7-12-23)31(21-8-13-24(35)14-9-21)41-26-15-16-27(28(36)19-26)32-37-29-18-22(33(39)40)10-17-30(29)38(32)25-4-2-1-3-5-25/h6-19,25,31H,1-5H2,(H,39,40)
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n/an/a 300n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181947
PNG
(2-[4-(2-biphenyl-2-yl-ethoxy)-phenyl]-1-cyclohexyl...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCCc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C34H32N2O3/c37-34(38)27-17-20-32-31(23-27)35-33(36(32)28-12-5-2-6-13-28)26-15-18-29(19-16-26)39-22-21-25-11-7-8-14-30(25)24-9-3-1-4-10-24/h1,3-4,7-11,14-20,23,28H,2,5-6,12-13,21-22H2,(H,37,38)
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n/an/a 340n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181943
PNG
(2-[4-(biphenyl-3-ylmethoxy)-phenyl]-1-cyclohexyl-1...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCc2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C33H30N2O3/c36-33(37)27-16-19-31-30(21-27)34-32(35(31)28-12-5-2-6-13-28)25-14-17-29(18-15-25)38-22-23-8-7-11-26(20-23)24-9-3-1-4-10-24/h1,3-4,7-11,14-21,28H,2,5-6,12-13,22H2,(H,36,37)
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n/an/a 390n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
CD22


(Homo sapiens)
BDBM50274292
PNG
(CHEMBL509768 | p-Methoxyphenyl (3,5,9-trideoxy-5-g...)
Show SMILES COc1ccc(O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O3)[C@H](O)[C@H](O)CNC(=O)c3ccc(cc3)-c3ccc(O)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C37H44N2O17/c1-52-22-10-12-23(13-11-22)54-35-32(48)31(47)30(46)26(55-35)17-53-37(36(50)51)14-24(42)28(39-27(44)16-40)33(56-37)29(45)25(43)15-38-34(49)20-4-2-18(3-5-20)19-6-8-21(41)9-7-19/h2-13,24-26,28-33,35,40-43,45-48H,14-17H2,1H3,(H,38,49)(H,39,44)(H,50,51)/t24-,25+,26+,28+,29+,30-,31-,32+,33+,35+,37+/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
CD22


(Homo sapiens)
BDBM50274300
PNG
(CHEMBL509633 | p-Methoxyphenyl (9-(4-biphenyl)meth...)
Show SMILES COc1ccc(O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O3)[C@H](O)[C@H](O)CNCc3ccc(cc3)-c3ccccc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C37H46N2O15/c1-50-23-11-13-24(14-12-23)52-35-33(47)32(46)31(45)27(53-35)19-51-37(36(48)49)15-25(41)29(39-28(43)18-40)34(54-37)30(44)26(42)17-38-16-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-14,25-27,29-35,38,40-42,44-47H,15-19H2,1H3,(H,39,43)(H,48,49)/t25-,26+,27+,29+,30+,31-,32-,33+,34+,35+,37+/m0/s1
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n/an/a 470n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181952
PNG
(2-[4-(biphenyl-2-yloxy)-phenyl]-1-cyclohexyl-1H-be...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(Oc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C32H28N2O3/c35-32(36)24-17-20-29-28(21-24)33-31(34(29)25-11-5-2-6-12-25)23-15-18-26(19-16-23)37-30-14-8-7-13-27(30)22-9-3-1-4-10-22/h1,3-4,7-10,13-21,25H,2,5-6,11-12H2,(H,35,36)
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n/an/a 580n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181923
PNG
(2-(4-(benzhydryloxy)phenyl)-1-cyclohexyl-1H-benzo[...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C33H30N2O3/c36-33(37)26-18-21-30-29(22-26)34-32(35(30)27-14-8-3-9-15-27)25-16-19-28(20-17-25)38-31(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-2,4-7,10-13,16-22,27,31H,3,8-9,14-15H2,(H,36,37)
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n/an/a 590n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181926
PNG
(2-{4-[Bis-(4-dimethylcarbamoyl-phenyl)-methoxy]-2-...)
Show SMILES CN(C)C(=O)c1ccc(cc1)C(Oc1ccc(-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c(F)c1)c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C39H39FN4O5/c1-42(2)37(45)26-14-10-24(11-15-26)35(25-12-16-27(17-13-25)38(46)43(3)4)49-30-19-20-31(32(40)23-30)36-41-33-22-28(39(47)48)18-21-34(33)44(36)29-8-6-5-7-9-29/h10-23,29,35H,5-9H2,1-4H3,(H,47,48)
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n/an/a 640n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181922
PNG
(2-(4-(bis(3-fluorophenyl)methoxy)phenyl)-1-cyclohe...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2cccc(F)c2)c2cccc(F)c2)cc1
Show InChI InChI=1S/C33H28F2N2O3/c34-25-8-4-6-22(18-25)31(23-7-5-9-26(35)19-23)40-28-15-12-21(13-16-28)32-36-29-20-24(33(38)39)14-17-30(29)37(32)27-10-2-1-3-11-27/h4-9,12-20,27,31H,1-3,10-11H2,(H,38,39)
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n/an/a 760n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181933
PNG
(2-(4-(bis(4-fluorophenyl)methoxy)phenyl)-1-cyclohe...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H28F2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39)
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n/an/a 800n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181941
PNG
(2-(4-(benzhydryloxy)-2-fluorophenyl)-1-cyclohexyl-...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2ccccc2)cc1F
Show InChI InChI=1S/C33H29FN2O3/c34-28-21-26(39-31(22-10-4-1-5-11-22)23-12-6-2-7-13-23)17-18-27(28)32-35-29-20-24(33(37)38)16-19-30(29)36(32)25-14-8-3-9-15-25/h1-2,4-7,10-13,16-21,25,31H,3,8-9,14-15H2,(H,37,38)
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n/an/a 800n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181951
PNG
(1-cyclohexyl-2-(4-(3-phenylpropoxy)phenyl)-1H-benz...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCCCc2ccccc2)cc1
Show InChI InChI=1S/C29H30N2O3/c32-29(33)23-15-18-27-26(20-23)30-28(31(27)24-11-5-2-6-12-24)22-13-16-25(17-14-22)34-19-7-10-21-8-3-1-4-9-21/h1,3-4,8-9,13-18,20,24H,2,5-7,10-12,19H2,(H,32,33)
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n/an/a 800n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181938
PNG
(1-Cyclohexyl-2-[2-fluoro-4-(phenyl-pyridin-3-yl-me...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2cccnc2)cc1F
Show InChI InChI=1S/C32H28FN3O3/c33-27-19-25(39-30(21-8-3-1-4-9-21)23-10-7-17-34-20-23)14-15-26(27)31-35-28-18-22(32(37)38)13-16-29(28)36(31)24-11-5-2-6-12-24/h1,3-4,7-10,13-20,24,30H,2,5-6,11-12H2,(H,37,38)
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n/an/a 800n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181927
PNG
(2-(4-(bis(4-fluorophenyl)methoxy)-2-fluorophenyl)-...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1F
Show InChI InChI=1S/C33H27F3N2O3/c34-23-11-6-20(7-12-23)31(21-8-13-24(35)14-9-21)41-26-15-16-27(28(36)19-26)32-37-29-18-22(33(39)40)10-17-30(29)38(32)25-4-2-1-3-5-25/h6-19,25,31H,1-5H2,(H,39,40)
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PubMed
n/an/a 840n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
CD22


(Homo sapiens)
BDBM50274296
PNG
(CHEMBL501599 | p-Methoxyphenyl (3,5,9-trideoxy-5-g...)
Show SMILES COc1ccc(O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O3)[C@H](O)[C@H](O)CNC(=O)Cc3ccc(cc3)-c3ccc(O)cc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C38H46N2O17/c1-53-23-10-12-24(13-11-23)55-36-34(50)33(49)32(48)27(56-36)18-54-38(37(51)52)15-25(43)30(40-29(46)17-41)35(57-38)31(47)26(44)16-39-28(45)14-19-2-4-20(5-3-19)21-6-8-22(42)9-7-21/h2-13,25-27,30-36,41-44,47-50H,14-18H2,1H3,(H,39,45)(H,40,46)(H,51,52)/t25-,26+,27+,30+,31+,32-,33-,34+,35+,36+,38+/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181932
PNG
(2-(4-(bis(4-chlorophenyl)methoxy)phenyl)-1-cyclohe...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C33H28Cl2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39)
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n/an/a 930n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181926
PNG
(2-{4-[Bis-(4-dimethylcarbamoyl-phenyl)-methoxy]-2-...)
Show SMILES CN(C)C(=O)c1ccc(cc1)C(Oc1ccc(-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c(F)c1)c1ccc(cc1)C(=O)N(C)C
Show InChI InChI=1S/C39H39FN4O5/c1-42(2)37(45)26-14-10-24(11-15-26)35(25-12-16-27(17-13-25)38(46)43(3)4)49-30-19-20-31(32(40)23-30)36-41-33-22-28(39(47)48)18-21-34(33)44(36)29-8-6-5-7-9-29/h10-23,29,35H,5-9H2,1-4H3,(H,47,48)
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n/an/a 950n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181924
PNG
(1-cyclohexyl-2-(4-(2,2-diphenylethoxy)phenyl)-1H-b...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C34H32N2O3/c37-34(38)27-18-21-32-31(22-27)35-33(36(32)28-14-8-3-9-15-28)26-16-19-29(20-17-26)39-23-30(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-2,4-7,10-13,16-22,28,30H,3,8-9,14-15,23H2,(H,37,38)
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n/an/a 980n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
CD22


(Homo sapiens)
BDBM50274291
PNG
(CHEMBL502788 | p-Methoxyphenyl (3,5,9-trideoxy-5-g...)
Show SMILES COc1ccc(O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O3)[C@H](O)[C@H](O)CNC(=O)Cc3ccc4ccccc4c3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C36H44N2O16/c1-50-21-8-10-22(11-9-21)52-34-32(47)31(46)30(45)25(53-34)17-51-36(35(48)49)14-23(40)28(38-27(43)16-39)33(54-36)29(44)24(41)15-37-26(42)13-18-6-7-19-4-2-3-5-20(19)12-18/h2-12,23-25,28-34,39-41,44-47H,13-17H2,1H3,(H,37,42)(H,38,43)(H,48,49)/t23-,24+,25+,28+,29+,30-,31-,32+,33+,34+,36+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181925
PNG
(1-cyclohexyl-2-(4-(5-phenylpentyloxy)phenyl)-1H-be...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCCCCCc2ccccc2)cc1
Show InChI InChI=1S/C31H34N2O3/c34-31(35)25-17-20-29-28(22-25)32-30(33(29)26-13-7-2-8-14-26)24-15-18-27(19-16-24)36-21-9-3-6-12-23-10-4-1-5-11-23/h1,4-5,10-11,15-20,22,26H,2-3,6-9,12-14,21H2,(H,34,35)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181935
PNG
(1-Cyclohexyl-2-[4-(di-pyridin-3-yl-methoxy)-2-fluo...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2cccnc2)c2cccnc2)cc1F
Show InChI InChI=1S/C31H27FN4O3/c32-26-17-24(39-29(21-6-4-14-33-18-21)22-7-5-15-34-19-22)11-12-25(26)30-35-27-16-20(31(37)38)10-13-28(27)36(30)23-8-2-1-3-9-23/h4-7,10-19,23,29H,1-3,8-9H2,(H,37,38)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
CD22


(Homo sapiens)
BDBM50274289
PNG
(CHEMBL503830 | p-Methoxyphenyl (9-(4-biphenylcarbo...)
Show SMILES COc1ccc(O[C@@H]2O[C@H](CO[C@@]3(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O3)[C@H](O)[C@H](O)CNC(=O)c3ccc(cc3)-c3ccccc3)C(O)=O)[C@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C37H44N2O16/c1-51-22-11-13-23(14-12-22)53-35-32(47)31(46)30(45)26(54-35)18-52-37(36(49)50)15-24(41)28(39-27(43)17-40)33(55-37)29(44)25(42)16-38-34(48)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-14,24-26,28-33,35,40-42,44-47H,15-18H2,1H3,(H,38,48)(H,39,43)(H,49,50)/t24-,25+,26+,28+,29+,30-,31-,32+,33+,35+,37+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Binding affinity to biotinylated human CD22-human IgG1 chimeric protein expressed in mouse J558LST6 cells by flow cytometry


J Med Chem 51: 6665-81 (2008)


Article DOI: 10.1021/jm8000696
BindingDB Entry DOI: 10.7270/Q23X86GN
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181929
PNG
(1-cyclohexyl-2-(4-(dip-tolylmethoxy)phenyl)-1H-ben...)
Show SMILES Cc1ccc(cc1)C(Oc1ccc(cc1)-c1nc2cc(ccc2n1C1CCCCC1)C(O)=O)c1ccc(C)cc1
Show InChI InChI=1S/C35H34N2O3/c1-23-8-12-25(13-9-23)33(26-14-10-24(2)11-15-26)40-30-19-16-27(17-20-30)34-36-31-22-28(35(38)39)18-21-32(31)37(34)29-6-4-3-5-7-29/h8-22,29,33H,3-7H2,1-2H3,(H,38,39)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181944
PNG
(2-(4-(4-chlorobenzyloxy)phenyl)-1-cyclopentyl-1H-b...)
Show SMILES OC(=O)c1ccc2n(C3CCCC3)c(nc2c1)-c1ccc(OCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H23ClN2O3/c27-20-10-5-17(6-11-20)16-32-22-12-7-18(8-13-22)25-28-23-15-19(26(30)31)9-14-24(23)29(25)21-3-1-2-4-21/h5-15,21H,1-4,16H2,(H,30,31)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181942
PNG
(1-cyclohexyl-2-(4-(2-phenoxyethoxy)phenyl)-1H-benz...)
Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OCCOc2ccccc2)cc1
Show InChI InChI=1S/C28H28N2O4/c31-28(32)21-13-16-26-25(19-21)29-27(30(26)22-7-3-1-4-8-22)20-11-14-24(15-12-20)34-18-17-33-23-9-5-2-6-10-23/h2,5-6,9-16,19,22H,1,3-4,7-8,17-18H2,(H,31,32)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181930
PNG
(2-(4-(3,4-dichlorobenzyloxy)phenyl)-1-cyclopentyl-...)
Show SMILES OC(=O)c1ccc2n(C3CCCC3)c(nc2c1)-c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C26H22Cl2N2O3/c27-21-11-5-16(13-22(21)28)15-33-20-9-6-17(7-10-20)25-29-23-14-18(26(31)32)8-12-24(23)30(25)19-3-1-2-4-19/h5-14,19H,1-4,15H2,(H,31,32)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase


Bioorg Med Chem Lett 16: 1859-63 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.032
BindingDB Entry DOI: 10.7270/Q2BK1BX6
More data for this
Ligand-Target Pair
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