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15 molecules are shown

Wt: 468.5
BDBM30545
Wt: 400.4
BDBM30408
Wt: 430.4
BDBM30409
Wt: 493.5
BDBM30410
Wt: 511.5
BDBM30411
Wt: 518.5
BDBM30412
Wt: 507.5
BDBM30413
Wt: 519.5
BDBM30414
Wt: 507.5
BDBM30415
Wt: 521.6
BDBM30416
Wt: 531.5
BDBM30418
Wt: 565.9
BDBM30419
Wt: 545.5
BDBM30420
Wt: 506.5
BDBM30466
Wt: 492.5
BDBM30467

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 30545,30408,30409,30410,30411,30412,30413,30414,30415,30416,30418,30419,30420,30466,30467   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30408
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3a)
Show SMILES CC(C)CCn1n2cccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C19H20N4O4S/c1-12(2)9-11-23-19(25)16(17(24)14-7-5-10-22(14)23)18-20-13-6-3-4-8-15(13)28(26,27)21-18/h3-8,10,12,24H,9,11H2,1-2H3,(H,20,21)
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Article
PubMed
n/an/a 980n/a 5.30E+3n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30545
PNG
(pyridazinone derivative, 3)
Show SMILES COc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c(nn(CCC(C)C)c1=O)-c1ccccc1
Show InChI InChI=1S/C23H24N4O5S/c1-14(2)11-12-27-23(29)19(21(28)20(25-27)15-7-5-4-6-8-15)22-24-17-10-9-16(32-3)13-18(17)33(30,31)26-22/h4-10,13-14,28H,11-12H2,1-3H3,(H,24,26)
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n/an/a 3.30E+4n/an/an/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 1413-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.007
BindingDB Entry DOI: 10.7270/Q22N50MR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30410
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3c)
Show SMILES CC(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C20H23N5O6S2/c1-12(2)8-10-25-20(27)17(18(26)15-5-4-9-24(15)25)19-21-14-7-6-13(22-32(3,28)29)11-16(14)33(30,31)23-19/h4-7,9,11-12,22,26H,8,10H2,1-3H3,(H,21,23)
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n/an/a<10n/a 8.5n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30411
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3d)
Show SMILES CC(C)CCn1n2cc(F)cc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C20H22FN5O6S2/c1-11(2)6-7-25-20(28)17(18(27)15-8-12(21)10-26(15)25)19-22-14-5-4-13(23-33(3,29)30)9-16(14)34(31,32)24-19/h4-5,8-11,23,27H,6-7H2,1-3H3,(H,22,24)
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n/an/a 27n/a 19n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30412
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3e)
Show SMILES CC(C)CCn1n2cc(cc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O)C#N
Show InChI InChI=1S/C21H22N6O6S2/c1-12(2)6-7-26-21(29)18(19(28)16-8-13(10-22)11-27(16)26)20-23-15-5-4-14(24-34(3,30)31)9-17(15)35(32,33)25-20/h4-5,8-9,11-12,24,28H,6-7H2,1-3H3,(H,23,25)
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n/an/a 320n/an/an/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30413
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3f)
Show SMILES CC(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(cc3S(=O)(=O)N2)N(C)S(C)(=O)=O)c1=O
Show InChI InChI=1S/C21H25N5O6S2/c1-13(2)9-11-26-21(28)18(19(27)16-6-5-10-25(16)26)20-22-15-8-7-14(24(3)33(4,29)30)12-17(15)34(31,32)23-20/h5-8,10,12-13,27H,9,11H2,1-4H3,(H,22,23)
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n/an/a 110n/a 190n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30414
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3g)
Show SMILES CC(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(NS(=O)(=O)C4CC4)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C22H25N5O6S2/c1-13(2)9-11-27-22(29)19(20(28)17-4-3-10-26(17)27)21-23-16-8-5-14(12-18(16)35(32,33)25-21)24-34(30,31)15-6-7-15/h3-5,8,10,12-13,15,24,28H,6-7,9,11H2,1-2H3,(H,23,25)
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n/an/a 160n/a 96n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30415
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3h)
Show SMILES CC(C)(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O
Show InChI InChI=1S/C21H25N5O6S2/c1-21(2,3)9-11-26-20(28)17(18(27)15-6-5-10-25(15)26)19-22-14-8-7-13(23-33(4,29)30)12-16(14)34(31,32)24-19/h5-8,10,12,23,27H,9,11H2,1-4H3,(H,22,24)
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n/an/a<10n/a 5n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30416
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3i)
Show SMILES CN(c1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(CCC(C)(C)C)c1=O)S(C)(=O)=O
Show InChI InChI=1S/C22H27N5O6S2/c1-22(2,3)10-12-27-21(29)18(19(28)16-7-6-11-26(16)27)20-23-15-9-8-14(25(4)34(5,30)31)13-17(15)35(32,33)24-20/h6-9,11,13,28H,10,12H2,1-5H3,(H,23,24)
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n/an/a 60n/a 120n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30418
PNG
(BMCL185002 Compound 3a | BMCL19451 Compound 2 | py...)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C22H18FN5O6S2/c1-35(31,32)25-15-8-9-16-18(11-15)36(33,34)26-21(24-16)19-20(29)17-3-2-10-27(17)28(22(19)30)12-13-4-6-14(23)7-5-13/h2-11,25,29H,12H2,1H3,(H,24,26)
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n/an/a<10n/a 12n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30419
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3l)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(Cc2ccc(F)c(Cl)c2)c1=O
Show InChI InChI=1S/C22H17ClFN5O6S2/c1-36(32,33)26-13-5-7-16-18(10-13)37(34,35)27-21(25-16)19-20(30)17-3-2-8-28(17)29(22(19)31)11-12-4-6-15(24)14(23)9-12/h2-10,26,30H,11H2,1H3,(H,25,27)
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n/an/a 25n/a 22n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30420
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3m)
Show SMILES CN(c1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(Cc2ccc(F)cc2)c1=O)S(C)(=O)=O
Show InChI InChI=1S/C23H20FN5O6S2/c1-27(36(2,32)33)16-9-10-17-19(12-16)37(34,35)26-22(25-17)20-21(30)18-4-3-11-28(18)29(23(20)31)13-14-5-7-15(24)8-6-14/h3-12,30H,13H2,1-2H3,(H,25,26)
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n/an/a 130n/a 330n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30418
PNG
(BMCL185002 Compound 3a | BMCL19451 Compound 2 | py...)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C22H18FN5O6S2/c1-35(31,32)25-15-8-9-16-18(11-15)36(33,34)26-21(24-16)19-20(29)17-3-2-10-27(17)28(22(19)30)12-13-4-6-14(23)7-5-13/h2-11,25,29H,12H2,1H3,(H,24,26)
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n/an/a<10n/a 12n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 5002-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.017
BindingDB Entry DOI: 10.7270/Q2XW4H5X
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30466
PNG
(benzothiazine-containing analog, 4a)
Show SMILES CC(C)(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1=O
Show InChI InChI=1S/C22H26N4O6S2/c1-22(2,3)9-11-26-21(28)19(20(27)17-6-5-10-25(17)26)16-13-34(31,32)18-12-14(24-33(4,29)30)7-8-15(18)23-16/h5-8,10,12,24,27H,9,11,13H2,1-4H3
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n/an/a<10n/a 1.5n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30467
PNG
(benzothiazine-containing analog, 4b)
Show SMILES CC(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1=O
Show InChI InChI=1S/C21H24N4O6S2/c1-13(2)8-10-25-21(27)19(20(26)17-5-4-9-24(17)25)16-12-33(30,31)18-11-14(23-32(3,28)29)6-7-15(18)22-16/h4-7,9,11,13,23,26H,8,10,12H2,1-3H3
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n/an/a 27n/a 13n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 4628-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.014
BindingDB Entry DOI: 10.7270/Q2T43RFH
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30418
PNG
(BMCL185002 Compound 3a | BMCL19451 Compound 2 | py...)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C22H18FN5O6S2/c1-35(31,32)25-15-8-9-16-18(11-15)36(33,34)26-21(24-16)19-20(29)17-3-2-10-27(17)28(22(19)30)12-13-4-6-14(23)7-5-13/h2-11,25,29H,12H2,1H3,(H,24,26)
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n/an/a<10n/a 12n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM30418
PNG
(BMCL185002 Compound 3a | BMCL19451 Compound 2 | py...)
Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(Cc2ccc(F)cc2)c1=O
Show InChI InChI=1S/C22H18FN5O6S2/c1-35(31,32)25-15-8-9-16-18(11-15)36(33,34)26-21(24-16)19-20(29)17-3-2-10-27(17)28(22(19)30)12-13-4-6-14(23)7-5-13/h2-11,25,29H,12H2,1H3,(H,24,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC sid
UniChem

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PubMed
n/an/a<25n/an/an/an/an/an/a



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme (NS5B H77 1a), RNA substrate, and [alpha-33P]GTP/GTP with inhibitor c...


Bioorg Med Chem Lett 19: 451-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.048
BindingDB Entry DOI: 10.7270/Q2JM27Z0
More data for this
Ligand-Target Pair
Non-structural protein 5B (NS5B)


(Hepatitis C virus genotype 1b (isolate BK) (HCV))
BDBM30409
PNG
(pyrrolo[1,2-b]pyridazin-2-one analog., 3b)
Show SMILES COc1ccc2N=C(NS(=O)(=O)c2c1)c1c(O)c2cccn2n(CCC(C)C)c1=O
Show InChI InChI=1S/C20H22N4O5S/c1-12(2)8-10-24-20(26)17(18(25)15-5-4-9-23(15)24)19-21-14-7-6-13(29-3)11-16(14)30(27,28)22-19/h4-7,9,11-12,25H,8,10H2,1-3H3,(H,21,22)
PDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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UniChem

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Article
PubMed
n/an/a 2.20E+3n/a 1.70E+4n/an/a7.528



Anadys Pharmaceuticals



Assay Description
Assays were performed in a 96-well streptavidin-coated Flash-Plate using enzyme, RNA substrate, and [alpha-33P]GTP/GTP with inhibitor concentration v...


Bioorg Med Chem Lett 18: 3616-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.066
BindingDB Entry DOI: 10.7270/Q26D5R9N
More data for this
Ligand-Target Pair