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Compile Data Set for Download or QSAR

Found 297 hits with Last Name = 'duff' and Initial = 'kj'   
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
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220180
PNG
(CHEMBL243669 | N-[3-fluoro-4'-(trifluoromethyl)-4-...)
Show SMILES NS(=O)(=O)Nc1ccc(cc1F)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H10F4N2O2S/c14-11-7-9(3-6-12(11)19-22(18,20)21)8-1-4-10(5-2-8)13(15,16)17/h1-7,19H,(H2,18,20,21)
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3.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KSP motor domain by ATPase assay


J Med Chem 50: 4939-52 (2007)


Article DOI: 10.1021/jm070435y
BindingDB Entry DOI: 10.7270/Q29023H4
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220182
PNG
(CHEMBL390629 | N-[4'-(trifluoromethyl)-4-biphenyly...)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H11F3N2O2S/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)18-21(17,19)20/h1-8,18H,(H2,17,19,20)
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6.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KSP motor domain by ATPase assay


J Med Chem 50: 4939-52 (2007)


Article DOI: 10.1021/jm070435y
BindingDB Entry DOI: 10.7270/Q29023H4
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50079596
PNG
(((S)-1-{N'-[2-((S)-1-Benzyloxycarbonylamino-3-meth...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1csc(n1)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C31H39N5O6S/c1-20(2)15-24(33-30(39)41-17-22-11-7-5-8-12-22)27(37)35-36-28(38)26-19-43-29(32-26)25(16-21(3)4)34-31(40)42-18-23-13-9-6-10-14-23/h5-14,19-21,24-25H,15-18H2,1-4H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)/t24-,25-/m0/s1
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10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against human osteoclast cathepsin K


Bioorg Med Chem Lett 9: 1907-10 (1999)


Article DOI: 10.1016/s0960-894x(99)00322-4
BindingDB Entry DOI: 10.7270/Q2M61JGJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cathepsin K


(Homo sapiens (Human))
BDBM50079595
PNG
(((R)-1-{[2-((S)-1-Benzyloxycarbonylamino-3-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)c1nc(cs1)C(=O)NN1CC[C@@](CC(C)C)(NC(=O)OCc2ccccc2)C1=O
Show InChI InChI=1S/C33H41N5O6S/c1-22(2)17-26(35-31(41)43-19-24-11-7-5-8-12-24)29-34-27(21-45-29)28(39)37-38-16-15-33(30(38)40,18-23(3)4)36-32(42)44-20-25-13-9-6-10-14-25/h5-14,21-23,26H,15-20H2,1-4H3,(H,35,41)(H,36,42)(H,37,39)/t26-,33-/m0/s1
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33n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against human osteoclast cathepsin K


Bioorg Med Chem Lett 9: 1907-10 (1999)


Article DOI: 10.1016/s0960-894x(99)00322-4
BindingDB Entry DOI: 10.7270/Q2M61JGJ
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220169
PNG
(CHEMBL244933 | N-[4'-(trifluoromethyl)-4-biphenyly...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H12F3NO2S/c1-21(19,20)18-13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(15,16)17/h2-9,18H,1H3
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120n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KSP motor domain by ATPase assay


J Med Chem 50: 4939-52 (2007)


Article DOI: 10.1021/jm070435y
BindingDB Entry DOI: 10.7270/Q29023H4
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50079597
PNG
(((R)-1-{[2-((S)-1-Benzyloxycarbonylamino-3-methyl-...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)c1nc(cs1)C(=O)NN1CC[C@@H](NC(=O)OCc2ccccc2)C1=O
Show InChI InChI=1S/C29H33N5O6S/c1-19(2)15-23(32-29(38)40-17-21-11-7-4-8-12-21)26-30-24(18-41-26)25(35)33-34-14-13-22(27(34)36)31-28(37)39-16-20-9-5-3-6-10-20/h3-12,18-19,22-23H,13-17H2,1-2H3,(H,31,37)(H,32,38)(H,33,35)/t22-,23+/m1/s1
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330n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against human osteoclast cathepsin K


Bioorg Med Chem Lett 9: 1907-10 (1999)


Article DOI: 10.1016/s0960-894x(99)00322-4
BindingDB Entry DOI: 10.7270/Q2M61JGJ
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220180
PNG
(CHEMBL243669 | N-[3-fluoro-4'-(trifluoromethyl)-4-...)
Show SMILES NS(=O)(=O)Nc1ccc(cc1F)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H10F4N2O2S/c14-11-7-9(3-6-12(11)19-22(18,20)21)8-1-4-10(5-2-8)13(15,16)17/h1-7,19H,(H2,18,20,21)
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KSP motor domain by ATPase assay


J Med Chem 50: 4939-52 (2007)


Article DOI: 10.1021/jm070435y
BindingDB Entry DOI: 10.7270/Q29023H4
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181559
PNG
(1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BEN...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC2CC2)c2ccc(F)cc12
Show InChI InChI=1S/C21H18FN3O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10H2,(H,23,24)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1b NS5B RNA polymerase


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181559
PNG
(1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BEN...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC2CC2)c2ccc(F)cc12
Show InChI InChI=1S/C21H18FN3O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10H2,(H,23,24)
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220195
PNG
(CHEMBL243885 | N-[4'-(trifluoromethyl)-4-biphenyly...)
Show SMILES NC(=S)Nc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2S/c15-14(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)19-13(18)20/h1-8H,(H3,18,19,20)
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n/an/a 11n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KSP motor domain by ATPase assay


J Med Chem 50: 4939-52 (2007)


Article DOI: 10.1021/jm070435y
BindingDB Entry DOI: 10.7270/Q29023H4
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181650
PNG
(1-(2-cyclopropylethyl)-3-(1,1-dioxo-1,4-dihydro-1-...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC2CC2)c2ccccc12
Show InChI InChI=1S/C21H19N3O4S/c25-19-14-5-1-3-7-16(14)24(12-11-13-9-10-13)21(26)18(19)20-22-15-6-2-4-8-17(15)29(27,28)23-20/h1-8,13,25H,9-12H2,(H,22,23)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181559
PNG
(1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BEN...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC2CC2)c2ccc(F)cc12
Show InChI InChI=1S/C21H18FN3O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10H2,(H,23,24)
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 2a NS5B RNA polymerase


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220185
PNG
(1-(3-fluoro-4'-(trifluoromethyl)biphenyl-4-yl)urea...)
Show SMILES NC(=O)Nc1ccc(cc1F)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H10F4N2O/c15-11-7-9(3-6-12(11)20-13(19)21)8-1-4-10(5-2-8)14(16,17)18/h1-7H,(H3,19,20,21)
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n/an/a 15n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KSP motor domain by ATPase assay


J Med Chem 50: 4939-52 (2007)


Article DOI: 10.1021/jm070435y
BindingDB Entry DOI: 10.7270/Q29023H4
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220159
PNG
(CHEMBL389589 | N-[3'-fluoro-4'-(trifluoromethyl)-1...)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C13H10F4N2O2S/c14-12-7-9(3-6-11(12)13(15,16)17)8-1-4-10(5-2-8)19-22(18,20)21/h1-7,19H,(H2,18,20,21)
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n/an/a 15n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KSP motor domain by ATPase assay


J Med Chem 50: 4939-52 (2007)


Article DOI: 10.1021/jm070435y
BindingDB Entry DOI: 10.7270/Q29023H4
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220182
PNG
(CHEMBL390629 | N-[4'-(trifluoromethyl)-4-biphenyly...)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H11F3N2O2S/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)18-21(17,19)20/h1-8,18H,(H2,17,19,20)
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n/an/a 18n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KSP motor domain by ATPase assay


J Med Chem 50: 4939-52 (2007)


Article DOI: 10.1021/jm070435y
BindingDB Entry DOI: 10.7270/Q29023H4
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181560
PNG
(3-(1,1-dioxo-1,4-dihydro-1lambda*6*-benzo[1,2,4]th...)
Show SMILES CC(C)CCn1c2ccc(F)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C21H20FN3O4S/c1-12(2)9-10-25-16-8-7-13(22)11-14(16)19(26)18(21(25)27)20-23-15-5-3-4-6-17(15)30(28,29)24-20/h3-8,11-12,26H,9-10H2,1-2H3,(H,23,24)
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Spermidine synthase


(Homo sapiens (Human))
BDBM50095449
PNG
(2-[1-(2-Amino-ethyl)-6-(3-amino-propylamino)-hexyl...)
Show SMILES NCCCNCCCCCC(CCN)SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C21H38N8O3S/c22-7-4-10-25-9-3-1-2-5-14(6-8-23)33-11-15-17(30)18(31)21(32-15)29-13-28-16-19(24)26-12-27-20(16)29/h12-15,17-18,21,25,30-31H,1-11,22-23H2,(H2,24,26,27)/t14?,15-,17-,18-,21-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Inhibition of spermine synthase activity in rat ventral prostrate was evaluated at 100 uM


J Med Chem 32: 1300-7 (1989)


Article DOI: 10.1021/jm00126a026
BindingDB Entry DOI: 10.7270/Q2VH5Q1K
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181589
PNG
(1-(3,3-dimethylbutyl)-3-(1,1-dioxo-1,4-dihydrobenz...)
Show SMILES CC(C)(C)CCn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C22H23N3O4S/c1-22(2,3)12-13-25-16-10-6-4-8-14(16)19(26)18(21(25)27)20-23-15-9-5-7-11-17(15)30(28,29)24-20/h4-11,26H,12-13H2,1-3H3,(H,23,24)
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n/an/a 21n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181569
PNG
(CHEMBL425221 | [3-(1,1-dioxo-1,4-dihydrobenzo[1,2,...)
Show SMILES CC(C)CCn1c2ccc(NCC(O)=O)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C23H24N4O6S/c1-13(2)9-10-27-17-8-7-14(24-12-19(28)29)11-15(17)21(30)20(23(27)31)22-25-16-5-3-4-6-18(16)34(32,33)26-22/h3-8,11,13,24,30H,9-10,12H2,1-2H3,(H,25,26)(H,28,29)
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n/an/a 21n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181588
PNG
(3-(1,1-dioxo-1,2-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES COc1ccc2n(CCC(C)C)c(=O)c(C3=Nc4ccccc4S(=O)(=O)N3)c(O)c2c1
Show InChI InChI=1S/C22H23N3O5S/c1-13(2)10-11-25-17-9-8-14(30-3)12-15(17)20(26)19(22(25)27)21-23-16-6-4-5-7-18(16)31(28,29)24-21/h4-9,12-13,26H,10-11H2,1-3H3,(H,23,24)
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n/an/a 23n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181584
PNG
(4-[3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-...)
Show SMILES CC(C)CCn1c2ccc(OCC(N)=O)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C23H24N4O6S/c1-13(2)9-10-27-17-8-7-14(33-12-19(24)28)11-15(17)21(29)20(23(27)30)22-25-16-5-3-4-6-18(16)34(31,32)26-22/h3-8,11,13,29H,9-10,12H2,1-2H3,(H2,24,28)(H,25,26)
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n/an/a 24n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220201
PNG
(CHEMBL243431 | N-[3-amino-4'-(trifluoromethyl)-4-b...)
Show SMILES Nc1cc(ccc1NS(N)(=O)=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H12F3N3O2S/c14-13(15,16)10-4-1-8(2-5-10)9-3-6-12(11(17)7-9)19-22(18,20)21/h1-7,19H,17H2,(H2,18,20,21)
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n/an/a 24n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KSP motor domain by ATPase assay


J Med Chem 50: 4939-52 (2007)


Article DOI: 10.1021/jm070435y
BindingDB Entry DOI: 10.7270/Q29023H4
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181583
PNG
(3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(Cc2ccoc2)c2ccccc12
Show InChI InChI=1S/C21H15N3O5S/c25-19-14-5-1-3-7-16(14)24(11-13-9-10-29-12-13)21(26)18(19)20-22-15-6-2-4-8-17(15)30(27,28)23-20/h1-10,12,25H,11H2,(H,22,23)
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n/an/a 27n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220155
PNG
(CHEMBL244697 | N-[3'-nitro-4'-(trifluoromethyl)-4-...)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)-c1ccc(c(c1)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C13H10F3N3O4S/c14-13(15,16)11-6-3-9(7-12(11)19(20)21)8-1-4-10(5-2-8)18-24(17,22)23/h1-7,18H,(H2,17,22,23)
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n/an/a 28n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KSP motor domain by ATPase assay


J Med Chem 50: 4939-52 (2007)


Article DOI: 10.1021/jm070435y
BindingDB Entry DOI: 10.7270/Q29023H4
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220176
PNG
(CHEMBL242181 | N-[4-(2,2-difluoro-1,3-benzodioxol-...)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)-c1ccc2OC(F)(F)Oc2c1
Show InChI InChI=1S/C13H10F2N2O4S/c14-13(15)20-11-6-3-9(7-12(11)21-13)8-1-4-10(5-2-8)17-22(16,18)19/h1-7,17H,(H2,16,18,19)
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n/an/a 31n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KSP motor domain by ATPase assay


J Med Chem 50: 4939-52 (2007)


Article DOI: 10.1021/jm070435y
BindingDB Entry DOI: 10.7270/Q29023H4
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM30406
PNG
(CHEMBL176058 | benzo[1,2,4]thiadiazine-1,1-dioxide...)
Show SMILES CC(C)CCn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C21H21N3O4S/c1-13(2)11-12-24-16-9-5-3-7-14(16)19(25)18(21(24)26)20-22-15-8-4-6-10-17(15)29(27,28)23-20/h3-10,13,25H,11-12H2,1-2H3,(H,22,23)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181634
PNG
(6-Amino-1-(2-cyclopropylethyl)-3-(1,1-dioxo-1,4-di...)
Show SMILES Nc1ccc2n(CCC3CC3)c(=O)c(C3=Nc4ccccc4S(=O)(=O)N3)c(O)c2c1
Show InChI InChI=1S/C21H20N4O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10,22H2,(H,23,24)
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181570
PNG
(5-chloro-3-(1,1-dioxo-1,2-dihydrobenzo[1,2,4]thiad...)
Show SMILES CC(C)CCn1c2cccc(Cl)c2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C21H20ClN3O4S/c1-12(2)10-11-25-15-8-5-6-13(22)17(15)19(26)18(21(25)27)20-23-14-7-3-4-9-16(14)30(28,29)24-20/h3-9,12,26H,10-11H2,1-2H3,(H,23,24)
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n/an/a 33n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181567
PNG
(4-[3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-...)
Show SMILES CC(C)CCn1c2ccc(OCC#N)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C23H22N4O5S/c1-14(2)9-11-27-18-8-7-15(32-12-10-24)13-16(18)21(28)20(23(27)29)22-25-17-5-3-4-6-19(17)33(30,31)26-22/h3-8,13-14,28H,9,11-12H2,1-2H3,(H,25,26)
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n/an/a 34n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181646
PNG
(1-(3-bromobenzyl)-3-(1,1-dioxo-1,4-dihydrobenzo[1,...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(Cc2cccc(Br)c2)c2ccccc12
Show InChI InChI=1S/C23H16BrN3O4S/c24-15-7-5-6-14(12-15)13-27-18-10-3-1-8-16(18)21(28)20(23(27)29)22-25-17-9-2-4-11-19(17)32(30,31)26-22/h1-12,28H,13H2,(H,25,26)
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n/an/a 36n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220162
PNG
(CHEMBL243883 | N-[4'-(trifluoromethyl)-4-biphenyly...)
Show SMILES NC(=O)Nc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O/c15-14(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)19-13(18)20/h1-8H,(H3,18,19,20)
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n/an/a 39n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KSP motor domain by ATPase assay


J Med Chem 50: 4939-52 (2007)


Article DOI: 10.1021/jm070435y
BindingDB Entry DOI: 10.7270/Q29023H4
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181666
PNG
(3-(1,1-dioxo-1,4-dihydro-1-benzo[1,2,4]thiadiazin-...)
Show SMILES CC1CC1Cn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1/C21H19N3O4S/c1-12-10-13(12)11-24-16-8-4-2-6-14(16)19(25)18(21(24)26)20-22-15-7-3-5-9-17(15)29(27,28)23-20/h2-9,12-13,25H,10-11H2,1H3,(H,22,23)
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n/an/a 41n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181579
PNG
(6-chloro-3-(1,1-dioxo-1,2-dihydrobenzo[1,2,4]thiad...)
Show SMILES CC(C)CCn1c2ccc(Cl)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C21H20ClN3O4S/c1-12(2)9-10-25-16-8-7-13(22)11-14(16)19(26)18(21(25)27)20-23-15-5-3-4-6-17(15)30(28,29)24-20/h3-8,11-12,26H,9-10H2,1-2H3,(H,23,24)
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n/an/a 43n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181615
PNG
(3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES CC(CCn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O)C(F)(F)F
Show InChI InChI=1/C21H18F3N3O4S/c1-12(21(22,23)24)10-11-27-15-8-4-2-6-13(15)18(28)17(20(27)29)19-25-14-7-3-5-9-16(14)32(30,31)26-19/h2-9,12,28H,10-11H2,1H3,(H,25,26)
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n/an/a 44n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181601
PNG
(3-(1,1-dioxo-1,2-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES CC(C)CCn1c2ccc(C)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C22H23N3O4S/c1-13(2)10-11-25-17-9-8-14(3)12-15(17)20(26)19(22(25)27)21-23-16-6-4-5-7-18(16)30(28,29)24-21/h4-9,12-13,26H,10-11H2,1-3H3,(H,23,24)
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n/an/a 47n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181623
PNG
(3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES CC(C)CCn1c2cccc(O)c2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C21H21N3O5S/c1-12(2)10-11-24-14-7-5-8-15(25)17(14)19(26)18(21(24)27)20-22-13-6-3-4-9-16(13)30(28,29)23-20/h3-9,12,25-26H,10-11H2,1-2H3,(H,22,23)
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n/an/a 47n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181580
PNG
(1-(3,3-dimethylbutyl)-3-(1,1-dioxo-1,4-dihydrobenz...)
Show SMILES CC(C)(C)CCn1c2ccc(NCCO)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C24H28N4O5S/c1-24(2,3)10-12-28-18-9-8-15(25-11-13-29)14-16(18)21(30)20(23(28)31)22-26-17-6-4-5-7-19(17)34(32,33)27-22/h4-9,14,25,29-30H,10-13H2,1-3H3,(H,26,27)
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n/an/a 48n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181559
PNG
(1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BEN...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CCC2CC2)c2ccc(F)cc12
Show InChI InChI=1S/C21H18FN3O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10H2,(H,23,24)
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n/an/a 49n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV 1a NS5B RNA polymerase


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181624
PNG
(1-cyclobutylmethyl-3-(1,1-dioxo-1,2-dihydrobenzo[1...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(CC2CCC2)c2ccccc12
Show InChI InChI=1S/C21H19N3O4S/c25-19-14-8-1-3-10-16(14)24(12-13-6-5-7-13)21(26)18(19)20-22-15-9-2-4-11-17(15)29(27,28)23-20/h1-4,8-11,13,25H,5-7,12H2,(H,22,23)
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n/an/a 49n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Spermidine synthase


(Rattus norvegicus)
BDBM50095450
PNG
(2-[6-Amino-1-(2-amino-ethyl)-hexylsulfanylmethyl]-...)
Show SMILES NCCCCCC(CCN)SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H31N7O3S/c19-6-3-1-2-4-11(5-7-20)29-8-12-14(26)15(27)18(28-12)25-10-24-13-16(21)22-9-23-17(13)25/h9-12,14-15,18,26-27H,1-8,19-20H2,(H2,21,22,23)/t11?,12-,14-,15-,18-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Inhibition of spermidine synthase activity was evaluated


J Med Chem 32: 1300-7 (1989)


Article DOI: 10.1021/jm00126a026
BindingDB Entry DOI: 10.7270/Q2VH5Q1K
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181596
PNG
(3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES CSCCn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C19H17N3O4S2/c1-27-11-10-22-14-8-4-2-6-12(14)17(23)16(19(22)24)18-20-13-7-3-5-9-15(13)28(25,26)21-18/h2-9,23H,10-11H2,1H3,(H,20,21)
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n/an/a 53n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220188
PNG
(CHEMBL244126 | N-(4'-t-butyl-4-biphenylyl)urea)
Show SMILES CC(C)(C)c1ccc(cc1)-c1ccc(NC(N)=O)cc1
Show InChI InChI=1S/C17H20N2O/c1-17(2,3)14-8-4-12(5-9-14)13-6-10-15(11-7-13)19-16(18)20/h4-11H,1-3H3,(H3,18,19,20)
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n/an/a 54n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KSP motor domain by ATPase assay


J Med Chem 50: 4939-52 (2007)


Article DOI: 10.1021/jm070435y
BindingDB Entry DOI: 10.7270/Q29023H4
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220192
PNG
(CHEMBL397249 | N-(4'-isopropyl-4-biphenylyl)urea)
Show SMILES CC(C)c1ccc(cc1)-c1ccc(NC(N)=O)cc1
Show InChI InChI=1S/C16H18N2O/c1-11(2)12-3-5-13(6-4-12)14-7-9-15(10-8-14)18-16(17)19/h3-11H,1-2H3,(H3,17,18,19)
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n/an/a 57n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KSP motor domain by ATPase assay


J Med Chem 50: 4939-52 (2007)


Article DOI: 10.1021/jm070435y
BindingDB Entry DOI: 10.7270/Q29023H4
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220177
PNG
(CHEMBL389588 | N-{4'-[(trifluoromethyl)sulfonyl]-4...)
Show SMILES NC(=O)Nc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O3S/c15-14(16,17)23(21,22)12-7-3-10(4-8-12)9-1-5-11(6-2-9)19-13(18)20/h1-8H,(H3,18,19,20)
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n/an/a 58n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KSP motor domain by ATPase assay


J Med Chem 50: 4939-52 (2007)


Article DOI: 10.1021/jm070435y
BindingDB Entry DOI: 10.7270/Q29023H4
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181598
PNG
(3-(1,1-dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(Cc2ccncc2)c2ccccc12
Show InChI InChI=1S/C22H16N4O4S/c27-20-15-5-1-3-7-17(15)26(13-14-9-11-23-12-10-14)22(28)19(20)21-24-16-6-2-4-8-18(16)31(29,30)25-21/h1-12,27H,13H2,(H,24,25)
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n/an/a 61n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181593
PNG
(6-amino-3-(1,1-dioxo-1,2-dihydrobenzo[1,2,4]thiadi...)
Show SMILES CC(C)CCn1c2ccc(N)cc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C21H22N4O4S/c1-12(2)9-10-25-16-8-7-13(22)11-14(16)19(26)18(21(25)27)20-23-15-5-3-4-6-17(15)30(28,29)24-20/h3-8,11-12,26H,9-10,22H2,1-2H3,(H,23,24)
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n/an/a 62n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220172
PNG
(4'-(trifluoromethyl)-4-biphenylyl sulfamate | CHEM...)
Show SMILES NS(=O)(=O)Oc1ccc(cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H10F3NO3S/c14-13(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-21(17,18)19/h1-8H,(H2,17,18,19)
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n/an/a 64n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KSP motor domain by ATPase assay


J Med Chem 50: 4939-52 (2007)


Article DOI: 10.1021/jm070435y
BindingDB Entry DOI: 10.7270/Q29023H4
More data for this
Ligand-Target Pair
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)
BDBM50181631
PNG
(3-(1,1-Dioxo-1,4-dihydrobenzo[1,2,4]thiadiazin-3-y...)
Show SMILES CCC(C)CCn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1/C22H23N3O4S/c1-3-14(2)12-13-25-17-10-6-4-8-15(17)20(26)19(22(25)27)21-23-16-9-5-7-11-18(16)30(28,29)24-21/h4-11,14,26H,3,12-13H2,1-2H3,(H,23,24)
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n/an/a 65n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay


J Med Chem 49: 971-83 (2006)


Article DOI: 10.1021/jm050855s
BindingDB Entry DOI: 10.7270/Q2N29WJJ
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220209
PNG
(CHEMBL242780 | N-[3-(methoxy)-4'-(trifluoromethyl)...)
Show SMILES COc1cc(ccc1NS(N)(=O)=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O3S/c1-22-13-8-10(4-7-12(13)19-23(18,20)21)9-2-5-11(6-3-9)14(15,16)17/h2-8,19H,1H3,(H2,18,20,21)
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n/an/a 66n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KSP motor domain by ATPase assay


J Med Chem 50: 4939-52 (2007)


Article DOI: 10.1021/jm070435y
BindingDB Entry DOI: 10.7270/Q29023H4
More data for this
Ligand-Target Pair
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50220181
PNG
(CHEMBL397673 | N-[4-(2,2,3,3-tetrafluoro-2,3-dihyd...)
Show SMILES NS(=O)(=O)Nc1ccc(cc1)-c1ccc2OC(F)(F)C(F)(F)Oc2c1
Show InChI InChI=1S/C14H10F4N2O4S/c15-13(16)14(17,18)24-12-7-9(3-6-11(12)23-13)8-1-4-10(5-2-8)20-25(19,21)22/h1-7,20H,(H2,19,21,22)
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n/an/a 67n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human KSP motor domain by ATPase assay


J Med Chem 50: 4939-52 (2007)


Article DOI: 10.1021/jm070435y
BindingDB Entry DOI: 10.7270/Q29023H4
More data for this
Ligand-Target Pair
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