Compile Data Set for Download or QSAR

Found 225 hits of ic50 for UniProtKB: P26663   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM203919 (US9242988, 1) Show SMILES C[C@@]1(C#N)[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@H]1c1ccc2c(N)ncnn12 |r| Show InChI InChI=1S/C13H18N5O12P3/c1-13(5-14)10(19)9(4-27-32(23,24)30-33(25,26)29-31(20,21)22)28-11(13)7-2-3-8-12(15)16-6-17-18(7)8/h2-3,6,9-11,19H,4H2,1H3,(H,23,24)(H,25,26)(H2,15,16,17)(H2,20,21,22)/p-4/t9-,10-,11+,13-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.3	25
Merck Sharp & Dohme Corp. US Patent					Assay Description To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...				US Patent US9242988 (2016) BindingDB Entry DOI: 10.7270/Q22B8WVP
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM35554 (thiophene scaffold, 21) Show SMILES CC(C)N(C(=O)[C@H]1CC[C@H](C)CC1)c1cc(sc1C(O)=O)-c1ccccc1 |r,wU:9.9,wD:6.5,(-.82,9.12,;-1.74,7.89,;-3.27,8.07,;-1.13,6.48,;.41,6.48,;1.18,5.14,;1.18,7.81,;2.71,7.87,;3.43,9.24,;2.6,10.54,;3.37,11.87,;1.06,10.47,;.35,9.11,;-2.06,5.24,;-3.6,5.26,;-4.09,3.8,;-2.86,2.88,;-1.6,3.77,;-.14,3.28,;1.02,4.29,;.16,1.77,;-5.43,3.03,;-6.76,3.8,;-8.09,3.03,;-8.09,1.49,;-6.76,.72,;-5.43,1.49,)| Show InChI InChI=1S/C22H27NO3S/c1-14(2)23(21(24)17-11-9-15(3)10-12-17)18-13-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3,(H,25,26)/t15-,17-	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	23
IRBM-MRL Rome					Assay Description Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...				J Med Chem 52: 5217-27 (2009) Article DOI: 10.1021/jm900517t BindingDB Entry DOI: 10.7270/Q2X928P4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM50081634 (CHEMBL3422106) Show SMILES CC(C)N1CCC(C1)N(C)C(=O)Cn1c(c(C2CCCCC2)c2sc(cc12)C(O)=O)-c1ccccc1 Show InChI InChI=1S/C29H37N3O3S/c1-19(2)31-15-14-22(17-31)30(3)25(33)18-32-23-16-24(29(34)35)36-28(23)26(20-10-6-4-7-11-20)27(32)21-12-8-5-9-13-21/h5,8-9,12-13,16,19-20,22H,4,6-7,10-11,14-15,17-18H2,1-3H3,(H,34,35)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS5B expressed in Escherichia coli BL21 (DE3) after 1 hr				Eur J Med Chem 94: 218-28 (2015) Article DOI: 10.1016/j.ejmech.2015.03.012 BindingDB Entry DOI: 10.7270/Q2KD20N9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30466 (benzothiazine-containing analog, 4a) Show SMILES CC(C)(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1=O |t:16| 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	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	1.5	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30544 (5,6-Dihydro-1H-pyridin-2-one, 4ap) Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)c(Cl)c1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:25| Show InChI InChI=1S/C23H22ClFN4O6S2/c1-36(32,33)27-13-6-8-17-19(10-13)37(34,35)28-22(26-17)20-21(30)14-3-2-4-18(14)29(23(20)31)11-12-5-7-16(25)15(24)9-12/h5-10,14,18,20,27H,2-4,11H2,1H3,(H,26,28)/t14-,18+,20?/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<10	n/a	55	n/a	n/a	n/a	n/a
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30543 (5,6-Dihydro-1H-pyridin-2-one, 4ao) Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)c(F)c1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:25| Show InChI InChI=1S/C23H22F2N4O6S2/c1-36(32,33)27-13-6-8-17-19(10-13)37(34,35)28-22(26-17)20-21(30)14-3-2-4-18(14)29(23(20)31)11-12-5-7-15(24)16(25)9-12/h5-10,14,18,20,27H,2-4,11H2,1H3,(H,26,28)/t14-,18+,20?/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<10	n/a	45	n/a	n/a	n/a	n/a
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30542 (5,6-Dihydro-1H-pyridin-2-one, 4an) Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)c(C)c1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:25| Show InChI InChI=1S/C24H25FN4O6S2/c1-13-10-14(6-8-17(13)25)12-29-19-5-3-4-16(19)22(30)21(24(29)31)23-26-18-9-7-15(27-36(2,32)33)11-20(18)37(34,35)28-23/h6-11,16,19,21,27H,3-5,12H2,1-2H3,(H,26,28)/t16-,19+,21?/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<10	n/a	34	n/a	n/a	n/a	n/a
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30541 (5,6-Dihydro-1H-pyridin-2-one, 4am) Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1cccc(C)c1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:24| Show InChI InChI=1S/C24H26N4O6S2/c1-14-5-3-6-15(11-14)13-28-19-8-4-7-17(19)22(29)21(24(28)30)23-25-18-10-9-16(26-35(2,31)32)12-20(18)36(33,34)27-23/h3,5-6,9-12,17,19,21,26H,4,7-8,13H2,1-2H3,(H,25,27)/t17-,19+,21?/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<10	n/a	160	n/a	n/a	n/a	n/a
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30538 (5,6-Dihydro-1H-pyridin-2-one, 4aj) Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2CCC(C)(C)C)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:21| Show InChI InChI=1S/C22H30N4O6S2/c1-22(2,3)10-11-26-16-7-5-6-14(16)19(27)18(21(26)28)20-23-15-9-8-13(24-33(4,29)30)12-17(15)34(31,32)25-20/h8-9,12,14,16,18,24H,5-7,10-11H2,1-4H3,(H,23,25)/t14-,16+,18?/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<10	n/a	9	n/a	n/a	n/a	n/a
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30537 (5,6-Dihydro-1H-pyridin-2-one, 4ai) Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2CCC(C)C)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:20| Show InChI InChI=1S/C21H28N4O6S2/c1-12(2)9-10-25-16-6-4-5-14(16)19(26)18(21(25)27)20-22-15-8-7-13(23-32(3,28)29)11-17(15)33(30,31)24-20/h7-8,11-12,14,16,18,23H,4-6,9-10H2,1-3H3,(H,22,24)/t14-,16+,18?/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<10	n/a	32	n/a	n/a	n/a	n/a
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30452 (Hexahydro-pyrrolo[1,2-b]pyridazin-2-one, 3 | hexah...) Show SMILES CC(C)(C)CCN1N2CCCC2C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O |t:16| Show InChI InChI=1S/C21H29N5O6S2/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/h7-8,12,15,17,23H,5-6,9-11H2,1-4H3,(H,22,24)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<10	n/a	34	n/a	n/a	7.5	28
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				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30418 (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 |c:9| 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 UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<10	n/a	12	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30530 (5,6-Dihydro-1H-pyridin-2-one, 4ad) Show SMILES [H][C@]12CCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)cc1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:24| Show InChI InChI=1S/C23H23FN4O6S2/c1-35(31,32)26-15-9-10-17-19(11-15)36(33,34)27-22(25-17)20-21(29)16-3-2-4-18(16)28(23(20)30)12-13-5-7-14(24)8-6-13/h5-11,16,18,20,26H,2-4,12H2,1H3,(H,25,27)/t16-,18+,20?/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<10	n/a	16	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30516 (5,6-Dihydro-1H-pyridin-2-one, 4p) Show SMILES CC(C)CCN1C2CCCC2C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O |t:15| Show InChI InChI=1S/C21H28N4O6S2/c1-12(2)9-10-25-16-6-4-5-14(16)19(26)18(21(25)27)20-22-15-8-7-13(23-32(3,28)29)11-17(15)33(30,31)24-20/h7-8,11-12,14,16,18,23H,4-6,9-10H2,1-3H3,(H,22,24)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<10	n/a	60	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30508 (5,6-Dihydro-1H-pyridin-2-one, 4h) Show SMILES CC(C)(C)CCN1C2CCCC2C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |t:19| Show InChI InChI=1S/C22H30N4O6S2/c1-22(2,3)10-11-26-16-7-5-6-14(16)19(27)18(21(26)28)20-23-15-9-8-13(24-33(4,29)30)12-17(15)34(31,32)25-20/h8-9,12,14,16,18,24H,5-7,10-11H2,1-4H3,(H,23,25)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<10	n/a	24	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30504 (5,6-Dihydro-1H-pyridin-2-one, 4d) Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(Cc2ccc(F)cc2)C1=O |c:9| Show InChI InChI=1S/C23H23FN4O6S2/c1-35(31,32)26-15-9-10-17-19(11-15)36(33,34)27-22(25-17)20-21(29)16-3-2-4-18(16)28(23(20)30)12-13-5-7-14(24)8-6-13/h5-11,16,18,20,26H,2-4,12H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<10	n/a	23	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30490 (1,1-dioxoisothiazole analog., 34) Show SMILES CC(C)(C)[C@@H]1N(Cc2ccc(F)c(Cl)c2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2CNS(C)(=O)=O |r,w:17.18| Show InChI InChI=1S/C24H25ClFN3O6S2/c1-24(2,3)22-20(30)18(23(31)29(22)12-13-8-9-17(26)16(25)10-13)19-15-7-5-6-14(11-27-36(4,32)33)21(15)37(34,35)28-19/h5-10,22,27-28H,11-12H2,1-4H3/t22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<10	n/a	70	n/a	n/a	7.5	28
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: 4181-5 (2008) Article DOI: 10.1016/j.bmcl.2008.05.083 BindingDB Entry DOI: 10.7270/Q2PC30Q5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30458 (benzothiazine-containing analog, 3b) Show SMILES CCC(C)(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1=O |t:19| Show InChI InChI=1S/C24H28N4O6S3/c1-5-24(2,3)10-11-28-23(30)20(22(29)21(26-28)18-7-6-12-35-18)17-14-37(33,34)19-13-15(27-36(4,31)32)8-9-16(19)25-17/h6-9,12-13,27,29H,5,10-11,14H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<10	n/a	2.70	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30407 (5-hydroxy- 3(2H)-pyridazinone, 2 | BMCL185002 Comp...) Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:17| Show InChI InChI=1S/C21H23N5O6S3/c1-12(2)8-9-26-21(28)17(19(27)18(23-26)15-5-4-10-33-15)20-22-14-7-6-13(24-34(3,29)30)11-16(14)35(31,32)25-20/h4-7,10-12,24,27H,8-9H2,1-3H3,(H,22,25)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<10	n/a	5	n/a	n/a	7.5	28
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 Structure (crystal)
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30410 (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 |t:15| 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)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	<10	n/a	8.5	n/a	n/a	7.5	28
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 Structure (crystal)
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30415 (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 |t:16| 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)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<10	n/a	5	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30418 (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 |c:9| 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 UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<10	n/a	12	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30407 (5-hydroxy- 3(2H)-pyridazinone, 2 | BMCL185002 Comp...) Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)c1=O |t:17| Show InChI InChI=1S/C21H23N5O6S3/c1-12(2)8-9-26-21(28)17(19(27)18(23-26)15-5-4-10-33-15)20-22-14-7-6-13(24-34(3,29)30)11-16(14)35(31,32)25-20/h4-7,10-12,24,27H,8-9H2,1-3H3,(H,22,25)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<10	n/a	5	n/a	n/a	7.5	28
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				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30448 (benzothiazine-containing analog, 3a | pyridazin-3-...) Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1=O |t:17| Show InChI InChI=1S/C22H24N4O6S3/c1-13(2)8-9-26-22(28)19(21(27)20(24-26)17-5-4-10-33-17)16-12-35(31,32)18-11-14(25-34(3,29)30)6-7-15(18)23-16/h4-7,10-11,13,25,27H,8-9,12H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<10	n/a	11	n/a	n/a	7.5	28
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				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30418 (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 |c:9| 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 UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<10	n/a	12	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30450 (hexahydro-pyrrolo[1,2-b]pyridazin-2-one, 4a) Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCN2N(Cc2ccc(F)cc2)C1=O |c:9| Show InChI InChI=1S/C22H22FN5O6S2/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/h4-9,11,17,19,25H,2-3,10,12H2,1H3,(H,24,26)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<10	n/a	190	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30452 (Hexahydro-pyrrolo[1,2-b]pyridazin-2-one, 3 | hexah...) Show SMILES CC(C)(C)CCN1N2CCCC2C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O |t:16| Show InChI InChI=1S/C21H29N5O6S2/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/h7-8,12,15,17,23H,5-6,9-11H2,1-4H3,(H,22,24)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<10	n/a	34	n/a	n/a	7.5	28
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				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30448 (benzothiazine-containing analog, 3a | pyridazin-3-...) Show SMILES CC(C)CCn1nc(-c2cccs2)c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1=O |t:17| Show InChI InChI=1S/C22H24N4O6S3/c1-13(2)8-9-26-22(28)19(21(27)20(24-26)17-5-4-10-33-17)16-12-35(31,32)18-11-14(25-34(3,29)30)6-7-15(18)23-16/h4-7,10-11,13,25,27H,8-9,12H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	<10	n/a	1.10	n/a	n/a	7.5	28
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				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM50081636 (CHEMBL3422108) Show SMILES CC(C)CNCc1c(sc2c(C3CCCCC3)c(-c3ccccc3)n(CC(=O)N(C)C3CCN(C3)C(C)C)c12)C(O)=O Show InChI InChI=1S/C34H48N4O3S/c1-22(2)18-35-19-27-31-33(42-32(27)34(40)41)29(24-12-8-6-9-13-24)30(25-14-10-7-11-15-25)38(31)21-28(39)36(5)26-16-17-37(20-26)23(3)4/h7,10-11,14-15,22-24,26,35H,6,8-9,12-13,16-21H2,1-5H3,(H,40,41)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS5B expressed in Escherichia coli BL21 (DE3) after 1 hr				Eur J Med Chem 94: 218-28 (2015) Article DOI: 10.1016/j.ejmech.2015.03.012 BindingDB Entry DOI: 10.7270/Q2KD20N9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30451 (hexahydro-pyrrolo[1,2-b]pyridazin-2-one, 4b) Show SMILES CC(C)CCN1N2CCCC2C(=O)C(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N2)C1=O |t:15| Show InChI InChI=1S/C20H27N5O6S2/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/h6-7,11-12,15,17,22H,4-5,8-10H2,1-3H3,(H,21,23)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	160	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM35570 (1H-benzo[de]isoquinoline-1,3(2H)-dione, 19) Show SMILES Brc1cccc(c1)N1C(=O)c2cccc3c(NC4CCN(Cc5ccccc5)CC4)ccc(C1=O)c23 Show InChI InChI=1S/C30H26BrN3O2/c31-21-8-4-9-23(18-21)34-29(35)25-11-5-10-24-27(13-12-26(28(24)25)30(34)36)32-22-14-16-33(17-15-22)19-20-6-2-1-3-7-20/h1-13,18,22,32H,14-17,19H2	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<14	n/a	2.20E+3	n/a	n/a	7.5	23
IRBM-MRL Rome					Assay Description Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...				J Med Chem 52: 5217-27 (2009) Article DOI: 10.1021/jm900517t BindingDB Entry DOI: 10.7270/Q2X928P4
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30460 (benzothiazine-containing analog, 3d) Show SMILES CS(=O)(=O)Nc1ccc2N=C(CS(=O)(=O)c2c1)c1c(O)c(nn(CC2CC2)c1=O)-c1cccs1 |c:9| Show InChI InChI=1S/C21H20N4O6S3/c1-33(28,29)24-13-6-7-14-17(9-13)34(30,31)11-15(22-14)18-20(26)19(16-3-2-8-32-16)23-25(21(18)27)10-12-4-5-12/h2-3,6-9,12,24,26H,4-5,10-11H2,1H3	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	3.5	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30456 (hexahydro-1H-pyrido[1,2-b]pyridazin-2-one, 4g) Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCCN2N(Cc2ccc(F)cc2)C1=O |c:9| Show InChI InChI=1S/C23H24FN5O6S2/c1-36(32,33)26-16-9-10-17-19(12-16)37(34,35)27-22(25-17)20-21(30)18-4-2-3-11-28(18)29(23(20)31)13-14-5-7-15(24)8-6-14/h5-10,12,18,20,26H,2-4,11,13H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	300	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30495 (1,1-dioxoisothiazole analog., 39) Show SMILES CC(C)(C)CCN1[C@H](C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2CNS(C)(=O)=O)C(C)(C)C |r,w:10.9| Show InChI InChI=1S/C23H33N3O6S2/c1-22(2,3)11-12-26-20(23(4,5)6)18(27)16(21(26)28)17-15-10-8-9-14(13-24-33(7,29)30)19(15)34(31,32)25-17/h8-10,20,24-25H,11-13H2,1-7H3/t20-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	350	n/a	n/a	7.5	28
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: 4181-5 (2008) Article DOI: 10.1016/j.bmcl.2008.05.083 BindingDB Entry DOI: 10.7270/Q2PC30Q5
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30461 (benzothiazine-containing analog, 3e) Show SMILES CS(=O)(=O)Nc1ccc2N=C(CS(=O)(=O)c2c1)c1c(O)c(nn(Cc2ccccc2)c1=O)-c1cccs1 |c:9| Show InChI InChI=1S/C24H20N4O6S3/c1-36(31,32)27-16-9-10-17-20(12-16)37(33,34)14-18(25-17)21-23(29)22(19-8-5-11-35-19)26-28(24(21)30)13-15-6-3-2-4-7-15/h2-12,27,29H,13-14H2,1H3	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	36	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM35563 (1H-benzo[de]isoquinoline-1,3(2H)-dione, 12) Show SMILES OCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Cl)c1 Show InChI InChI=1S/C20H15ClN2O3/c21-12-3-1-4-13(11-12)23-19(25)15-6-2-5-14-17(22-9-10-24)8-7-16(18(14)15)20(23)26/h1-8,11,22,24H,9-10H2	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	3.80E+3	n/a	n/a	7.5	23
IRBM-MRL Rome					Assay Description Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...				J Med Chem 52: 5217-27 (2009) Article DOI: 10.1021/jm900517t BindingDB Entry DOI: 10.7270/Q2X928P4
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM50081635 (CHEMBL3422107) Show SMILES CC(C)N1CC[C@H](C1)N1CCn2c(c(C3CCCCC3)c3sc(cc23)C(O)=O)-c2ccccc2C1 |r| Show InChI InChI=1S/C29H37N3O2S/c1-19(2)30-13-12-22(18-30)31-14-15-32-24-16-25(29(33)34)35-28(24)26(20-8-4-3-5-9-20)27(32)23-11-7-6-10-21(23)17-31/h6-7,10-11,16,19-20,22H,3-5,8-9,12-15,17-18H2,1-2H3,(H,33,34)/t22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b BK NS5B expressed in Escherichia coli BL21 (DE3) after 1 hr				Eur J Med Chem 94: 218-28 (2015) Article DOI: 10.1016/j.ejmech.2015.03.012 BindingDB Entry DOI: 10.7270/Q2KD20N9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM35553 (1H-benzo[de]isoquinoline-1,3(2H)-dione, 1) Show SMILES OCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1 Show InChI InChI=1S/C20H15BrN2O3/c21-12-3-1-4-13(11-12)23-19(25)15-6-2-5-14-17(22-9-10-24)8-7-16(18(14)15)20(23)26/h1-8,11,22,24H,9-10H2	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	20	n/a	7.10E+3	n/a	n/a	7.5	23
IRBM-MRL Rome					Assay Description Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...				J Med Chem 52: 5217-27 (2009) Article DOI: 10.1021/jm900517t BindingDB Entry DOI: 10.7270/Q2X928P4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30523 (5,6-Dihydro-1H-pyridin-2-one, 4w) Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(Cc2cccc(F)c2)C1=O |c:9| Show InChI InChI=1S/C23H23FN4O6S2/c1-35(31,32)26-15-8-9-17-19(11-15)36(33,34)27-22(25-17)20-21(29)16-6-3-7-18(16)28(23(20)30)12-13-4-2-5-14(24)10-13/h2,4-5,8-11,16,18,20,26H,3,6-7,12H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	170	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30505 (5,6-Dihydro-1H-pyridin-2-one, 4e) Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCCC2N(Cc2ccc(F)cc2)C1=O |c:9| Show InChI InChI=1S/C24H25FN4O6S2/c1-36(32,33)27-16-10-11-18-20(12-16)37(34,35)28-23(26-18)21-22(30)17-4-2-3-5-19(17)29(24(21)31)13-14-6-8-15(25)9-7-14/h6-12,17,19,21,27H,2-5,13H2,1H3,(H,26,28)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	150	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30491 (1,1-dioxoisothiazole analog., 35) Show SMILES CN(Cc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(Cc2ccc(F)c(Cl)c2)C1=O)C(C)(C)C)S(C)(=O)=O |r,w:14.16| Show InChI InChI=1S/C25H27ClFN3O6S2/c1-25(2,3)23-21(31)19(24(32)30(23)12-14-9-10-18(27)17(26)11-14)20-16-8-6-7-15(13-29(4)37(5,33)34)22(16)38(35,36)28-20/h6-11,23,28H,12-13H2,1-5H3/t23-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	90	n/a	n/a	7.5	28
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: 4181-5 (2008) Article DOI: 10.1016/j.bmcl.2008.05.083 BindingDB Entry DOI: 10.7270/Q2PC30Q5
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM35560 (1H-benzo[de]isoquinoline-1,3(2H)-dione, 9) Show SMILES COCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1 Show InChI InChI=1S/C21H17BrN2O3/c1-27-11-10-23-18-9-8-17-19-15(18)6-3-7-16(19)20(25)24(21(17)26)14-5-2-4-13(22)12-14/h2-9,12,23H,10-11H2,1H3	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	23
IRBM-MRL Rome					Assay Description Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...				J Med Chem 52: 5217-27 (2009) Article DOI: 10.1021/jm900517t BindingDB Entry DOI: 10.7270/Q2X928P4
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30419 (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 |c:9| 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)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	22	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30411 (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 |t:16| 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)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	19	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30467 (benzothiazine-containing analog, 4b) Show SMILES CC(C)CCn1n2cccc2c(O)c(C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)c1=O |t:15| 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	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	13	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30534 (5,6-Dihydro-1H-pyridin-2-one, 4af) Show SMILES [H][C@]12CCCC[C@@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)cc1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:25| Show InChI InChI=1S/C24H25FN4O6S2/c1-36(32,33)27-16-10-11-18-20(12-16)37(34,35)28-23(26-18)21-22(30)17-4-2-3-5-19(17)29(24(21)31)13-14-6-8-15(25)9-7-14/h6-12,17,19,21,27H,2-5,13H2,1H3,(H,26,28)/t17-,19+,21?/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	120	n/a	n/a	n/a	n/a
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30522 (5,6-Dihydro-1H-pyridin-2-one, 4v) Show SMILES CS(=O)(=O)Nc1ccc2N=C(NS(=O)(=O)c2c1)C1C(=O)C2CCCC2N(Cc2ccc(Cl)cc2)C1=O |c:9| Show InChI InChI=1S/C23H23ClN4O6S2/c1-35(31,32)26-15-9-10-17-19(11-15)36(33,34)27-22(25-17)20-21(29)16-3-2-4-18(16)28(23(20)30)12-13-5-7-14(24)8-6-13/h5-11,16,18,20,26H,2-4,12H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	880	n/a	n/a	7.5	28
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
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM35558 (1H-benzo[de]isoquinoline-1,3(2H)-dione, 7) Show SMILES CCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cccc(Br)c1 Show InChI InChI=1S/C20H15BrN2O2/c1-2-22-17-10-9-16-18-14(17)7-4-8-15(18)19(24)23(20(16)25)13-6-3-5-12(21)11-13/h3-11,22H,2H2,1H3	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	7.5	23
IRBM-MRL Rome					Assay Description Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...				J Med Chem 52: 5217-27 (2009) Article DOI: 10.1021/jm900517t BindingDB Entry DOI: 10.7270/Q2X928P4
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM35569 (1H-benzo[de]isoquinoline-1,3(2H)-dione, 18) Show SMILES Brc1cccc(c1)N1C(=O)c2cccc3c(NC4CCNCC4)ccc(C1=O)c23 Show InChI InChI=1S/C23H20BrN3O2/c24-14-3-1-4-16(13-14)27-22(28)18-6-2-5-17-20(26-15-9-11-25-12-10-15)8-7-19(21(17)18)23(27)29/h1-8,13,15,25-26H,9-12H2	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	1.90E+3	n/a	n/a	7.5	23
IRBM-MRL Rome					Assay Description Primer-dependent assays were performed using the homopolymeric template/primer. Compounds, polymerase and template RNA were incubated at RT for 25 mi...				J Med Chem 52: 5217-27 (2009) Article DOI: 10.1021/jm900517t BindingDB Entry DOI: 10.7270/Q2X928P4
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate BK) (HCV))	BDBM30531 (5,6-Dihydro-1H-pyridin-2-one, 4ae) Show SMILES [H][C@@]12CCC[C@]1([H])C(=O)C(C(=O)N2Cc1ccc(F)cc1)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)N1 |r,t:24| Show InChI InChI=1S/C23H23FN4O6S2/c1-35(31,32)26-15-9-10-17-19(11-15)36(33,34)27-22(25-17)20-21(29)16-3-2-4-18(16)28(23(20)30)12-13-5-7-14(24)8-6-13/h5-11,16,18,20,26H,2-4,12H2,1H3,(H,25,27)/t16-,18+,20?/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	220	n/a	n/a	7.5	28
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

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