Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 3286   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
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))	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))	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))	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))	BDBM30416 (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 |c:6| 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)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	120	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))	BDBM30413 (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 |t:15| 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)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	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: 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))	BDBM30420 (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 |c:6| 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)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	330	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))	BDBM30421 (Racemic | pyrrolo[1,2-b]pyridazin-2-one analog., 3...) Show SMILES Oc1c(C2=Nc3ccc(cc3S(=O)(=O)N2)C2CCCS2(=O)=O)c(=O)n(Cc2ccc(F)cc2)n2cccc12 |t:3| Show InChI InChI=1S/C25H21FN4O6S2/c26-17-8-5-15(6-9-17)14-30-25(32)22(23(31)19-3-1-11-29(19)30)24-27-18-10-7-16(13-21(18)38(35,36)28-24)20-4-2-12-37(20,33)34/h1,3,5-11,13,20,31H,2,4,12,14H2,(H,27,28)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	380	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))	BDBM30414 (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 |t:15| 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)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	96	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))	BDBM30406 (CHEMBL176058 | benzo[1,2,4]thiadiazine-1,1-dioxide...) Show SMILES CC(C)CCn1c2ccccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:16| 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)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<200	n/a	n/a	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))	BDBM30412 (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 |t:15| 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)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	320	n/a	n/a	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))	BDBM30417 (pyrrolo[1,2-b]pyridazin-2-one analog., 3j) Show SMILES Oc1c(C2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(Cc2ccc(F)cc2)n2cccc12 |t:3| Show InChI InChI=1S/C21H15FN4O4S/c22-14-9-7-13(8-10-14)12-26-21(28)18(19(27)16-5-3-11-25(16)26)20-23-15-4-1-2-6-17(15)31(29,30)24-20/h1-11,27H,12H2,(H,23,24)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	850	n/a	n/a	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))	BDBM30408 (pyrrolo[1,2-b]pyridazin-2-one analog., 3a) Show SMILES CC(C)CCn1n2cccc2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O |t:15| 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)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	980	n/a	5.30E+3	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))	BDBM30409 (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 |c:6| 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 GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	1.70E+4	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