Compile Data Set for Download or QSAR

Found 18 hits for UniProtKB: P29846   

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 [1658-1692] (Hepatitis C virus)	BDBM92629 ((3S)-3-{[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl...) Show SMILES CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(Oc2ccccc2)c1F |r| Show InChI InChI=1S/C19H22ClFN2O2/c1-3-16(23-12(2)11-17(22)24)14-9-10-15(20)19(18(14)21)25-13-7-5-4-6-8-13/h4-10,12,16,23H,3,11H2,1-2H3,(H2,22,24)/t12-,16+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	62	n/a	n/a	n/a	n/a	25
Astex Pharmaceuticals					Assay Description The protease activity of the full-length NS3-NS4a and the protease domain were measured using a FRET-based assay using a peptide substrate derived fr...				Nat Chem Biol 8: 920-5 (2012) Article DOI: 10.1038/nchembio.1081 BindingDB Entry DOI: 10.7270/Q26Q1VVN
					More data for this Ligand-Target Pair
Genome polyprotein [1658-1692] (Hepatitis C virus)	BDBM92628 ((1R)-1-(2,4-difluoro-3-phenoxyphenyl)propan-1-amin...) Show SMILES CC[C@@H](N)c1ccc(Cl)c(Oc2ccccc2)c1F |r| Show InChI InChI=1S/C15H15ClFNO/c1-2-13(18)11-8-9-12(16)15(14(11)17)19-10-6-4-3-5-7-10/h3-9,13H,2,18H2,1H3/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	25
Astex Pharmaceuticals					Assay Description The protease activity of the full-length NS3-NS4a and the protease domain were measured using a FRET-based assay using a peptide substrate derived fr...				Nat Chem Biol 8: 920-5 (2012) Article DOI: 10.1038/nchembio.1081 BindingDB Entry DOI: 10.7270/Q26Q1VVN
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate Taiwan))	BDBM29340 (triphenylmethane derivative, 12) Show SMILES CC(C)(c1ccc(cc1)C(C)(c1ccc(O)c(Br)c1)c1ccc(O)c(Br)c1)c1ccc(O)c(Br)c1 Show InChI InChI=1S/C29H25Br3O3/c1-28(2,19-8-11-25(33)22(30)14-19)17-4-6-18(7-5-17)29(3,20-9-12-26(34)23(31)15-20)21-10-13-27(35)24(32)16-21/h4-16,33-35H,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	7.0	22
National Taiwan University					Assay Description The enzyme was assayed the DNA helicase activity by using DNA substrate (annealed BHQ1-labeled release strand and FITC-labeled template strand) in th...				J Med Chem 52: 2716-23 (2009) Article DOI: 10.1021/jm8011905 BindingDB Entry DOI: 10.7270/Q2RF5SBT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate Taiwan))	BDBM29331 (triphenylmethane derivative, 3) Show SMILES Cc1cc(ccc1N)C(O)(c1ccc(Nc2ccccc2)cc1)c1ccc(Nc2ccc(cc2)S([O-])(=O)=O)cc1 Show InChI InChI=1S/C32H29N3O4S/c1-22-21-25(11-20-31(22)33)32(36,23-7-12-27(13-8-23)34-26-5-3-2-4-6-26)24-9-14-28(15-10-24)35-29-16-18-30(19-17-29)40(37,38)39/h2-21,34-36H,33H2,1H3,(H,37,38,39)/p-1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	7.0	22
National Taiwan University					Assay Description The enzyme was assayed the DNA helicase activity by using DNA substrate (annealed BHQ1-labeled release strand and FITC-labeled template strand) in th...				J Med Chem 52: 2716-23 (2009) Article DOI: 10.1021/jm8011905 BindingDB Entry DOI: 10.7270/Q2RF5SBT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate Taiwan))	BDBM29334 (triphenylmethane derivative, 6) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(cc1)C(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C29H28O3/c1-28(2,21-8-14-25(30)15-9-21)20-4-6-22(7-5-20)29(3,23-10-16-26(31)17-11-23)24-12-18-27(32)19-13-24/h4-19,30-32H,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a	7.0	22
National Taiwan University					Assay Description The enzyme was assayed the DNA helicase activity by using DNA substrate (annealed BHQ1-labeled release strand and FITC-labeled template strand) in th...				J Med Chem 52: 2716-23 (2009) Article DOI: 10.1021/jm8011905 BindingDB Entry DOI: 10.7270/Q2RF5SBT
					More data for this Ligand-Target Pair
Genome polyprotein [1658-1692] (Hepatitis C virus)	BDBM92627 ((2,4-difluoro-3-phenoxyphenyl)methanamine, 3) Show SMILES NCc1ccc(F)c(Oc2ccccc2)c1F Show InChI InChI=1S/C13H11F2NO/c14-11-7-6-9(8-16)12(15)13(11)17-10-4-2-1-3-5-10/h1-7H,8,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	2.90E+4	n/a	n/a	n/a	n/a	25
Astex Pharmaceuticals					Assay Description The protease activity of the full-length NS3-NS4a and the protease domain were measured using a FRET-based assay using a peptide substrate derived fr...				Nat Chem Biol 8: 920-5 (2012) Article DOI: 10.1038/nchembio.1081 BindingDB Entry DOI: 10.7270/Q26Q1VVN
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate Taiwan))	BDBM29332 (triphenylmethane derivative, 4) Show SMILES OC(=O)c1cc(Nc2ccc(cc2)C(Cl)(c2ccccc2)c2ccc(Nc3ccc(Cl)c(c3)C(O)=O)cc2)ccc1Cl Show InChI InChI=1S/C33H23Cl3N2O4/c34-29-16-14-25(18-27(29)31(39)40)37-23-10-6-21(7-11-23)33(36,20-4-2-1-3-5-20)22-8-12-24(13-9-22)38-26-15-17-30(35)28(19-26)32(41)42/h1-19,37-38H,(H,39,40)(H,41,42)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.97E+4	n/a	n/a	n/a	n/a	7.0	22
National Taiwan University					Assay Description The enzyme was assayed the DNA helicase activity by using DNA substrate (annealed BHQ1-labeled release strand and FITC-labeled template strand) in th...				J Med Chem 52: 2716-23 (2009) Article DOI: 10.1021/jm8011905 BindingDB Entry DOI: 10.7270/Q2RF5SBT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate Taiwan))	BDBM29329 (BHT, 1) Show SMILES OS(=O)(=O)c1ccc(Nc2ccc(cc2)[C+](c2ccc(Nc3cccc(c3)S(O)(=O)=O)cc2)c2ccc(Nc3cccc(c3)S(O)(=O)=O)cc2)cc1 Show InChI InChI=1S/C37H29N3O9S3/c41-50(42,43)34-21-19-31(20-22-34)38-28-13-7-25(8-14-28)37(26-9-15-29(16-10-26)39-32-3-1-5-35(23-32)51(44,45)46)27-11-17-30(18-12-27)40-33-4-2-6-36(24-33)52(47,48)49/h1-24,38-40H,(H2-,41,42,43,44,45,46,47,48,49)/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	7.0	22
National Taiwan University					Assay Description The enzyme was assayed the DNA helicase activity by using DNA substrate (annealed BHQ1-labeled release strand and FITC-labeled template strand) in th...				J Med Chem 52: 2716-23 (2009) Article DOI: 10.1021/jm8011905 BindingDB Entry DOI: 10.7270/Q2RF5SBT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus genotype 1b (isolate Taiwan))	BDBM29338 (diphenol | diphenol derivative, 10) Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(cc1)C(C)(C)c1ccc(O)cc1 Show InChI InChI=1S/C24H26O2/c1-23(2,19-9-13-21(25)14-10-19)17-5-7-18(8-6-17)24(3,4)20-11-15-22(26)16-12-20/h5-16,25-26H,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.07E+4	n/a	n/a	n/a	n/a	7.0	22
National Taiwan University					Assay Description The enzyme was assayed the DNA helicase activity by using DNA substrate (annealed BHQ1-labeled release strand and FITC-labeled template strand) in th...				J Med Chem 52: 2716-23 (2009) Article DOI: 10.1021/jm8011905 BindingDB Entry DOI: 10.7270/Q2RF5SBT
					More data for this Ligand-Target Pair
Genome polyprotein [1658-1692] (Hepatitis C virus)	BDBM50271275 (1H-Indazol-7-amine | 1H-indazol-7-amine, 1 | CHEMB...) Show SMILES Nc1cccc2cn[nH]c12 Show InChI InChI=1S/C7H7N3/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,8H2,(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>5.00E+6	n/a	n/a	n/a	n/a	n/a	25
Astex Pharmaceuticals					Assay Description The protease activity of the full-length NS3-NS4a and the protease domain were measured using a FRET-based assay using a peptide substrate derived fr...				Nat Chem Biol 8: 920-5 (2012) Article DOI: 10.1038/nchembio.1081 BindingDB Entry DOI: 10.7270/Q26Q1VVN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein [1658-1692] (Hepatitis C virus)	BDBM92630 ((3S)-N-(2-aminoethyl)-3-{[(1R)-1-(4-chloro-2-fluor...) Show SMILES CC[C@@H](N[C@@H](C)CC(=O)NCCN)c1ccc(Cl)c(Oc2ccccc2)c1F |r| Show InChI InChI=1S/C21H27ClFN3O2/c1-3-18(26-14(2)13-19(27)25-12-11-24)16-9-10-17(22)21(20(16)23)28-15-7-5-4-6-8-15/h4-10,14,18,26H,3,11-13,24H2,1-2H3,(H,25,27)/t14-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a	25
Astex Pharmaceuticals					Assay Description The protease activity of the full-length NS3-NS4a and the protease domain were measured using a FRET-based assay using a peptide substrate derived fr...				Nat Chem Biol 8: 920-5 (2012) Article DOI: 10.1038/nchembio.1081 BindingDB Entry DOI: 10.7270/Q26Q1VVN
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate Taiwan))	BDBM29339 (triphenylmethane derivative, 11) Show SMILES COc1ccc(cc1)C(C)(C)c1ccc(cc1)C(C)(c1ccc(OC)cc1)c1ccc(OC)cc1 Show InChI InChI=1S/C32H34O3/c1-31(2,24-11-17-28(33-4)18-12-24)23-7-9-25(10-8-23)32(3,26-13-19-29(34-5)20-14-26)27-15-21-30(35-6)22-16-27/h7-22H,1-6H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.0	22
National Taiwan University					Assay Description The enzyme was assayed the DNA helicase activity by using DNA substrate (annealed BHQ1-labeled release strand and FITC-labeled template strand) in th...				J Med Chem 52: 2716-23 (2009) Article DOI: 10.1021/jm8011905 BindingDB Entry DOI: 10.7270/Q2RF5SBT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate Taiwan))	BDBM29337 (US9688816, D | triphenylmethane derivative, 9) Show SMILES CC(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C20H18O2/c1-20(15-5-3-2-4-6-15,16-7-11-18(21)12-8-16)17-9-13-19(22)14-10-17/h2-14,21-22H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.0	22
National Taiwan University					Assay Description The enzyme was assayed the DNA helicase activity by using DNA substrate (annealed BHQ1-labeled release strand and FITC-labeled template strand) in th...				J Med Chem 52: 2716-23 (2009) Article DOI: 10.1021/jm8011905 BindingDB Entry DOI: 10.7270/Q2RF5SBT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate Taiwan))	BDBM29336 (triphenylmethane derivative, 8) Show SMILES Nc1ccc(cc1)C(c1ccc(N)cc1)c1ccc(N)cc1 Show InChI InChI=1S/C19H19N3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19H,20-22H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.0	22
National Taiwan University					Assay Description The enzyme was assayed the DNA helicase activity by using DNA substrate (annealed BHQ1-labeled release strand and FITC-labeled template strand) in th...				J Med Chem 52: 2716-23 (2009) Article DOI: 10.1021/jm8011905 BindingDB Entry DOI: 10.7270/Q2RF5SBT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate Taiwan))	BDBM29335 (triphenylmethane derivative, 7) Show SMILES CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C20H18O3/c1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16/h2-13,21-23H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.0	22
National Taiwan University					Assay Description The enzyme was assayed the DNA helicase activity by using DNA substrate (annealed BHQ1-labeled release strand and FITC-labeled template strand) in th...				J Med Chem 52: 2716-23 (2009) Article DOI: 10.1021/jm8011905 BindingDB Entry DOI: 10.7270/Q2RF5SBT
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate Taiwan))	BDBM29333 (triphenylmethane derivative, 5) Show SMILES CC(c1ccccc1)(c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1)c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C32H24N2O6/c1-32(23-5-3-2-4-6-23,24-7-15-28(16-8-24)39-30-19-11-26(12-20-30)33(35)36)25-9-17-29(18-10-25)40-31-21-13-27(14-22-31)34(37)38/h2-22H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.0	22
National Taiwan University					Assay Description The enzyme was assayed the DNA helicase activity by using DNA substrate (annealed BHQ1-labeled release strand and FITC-labeled template strand) in th...				J Med Chem 52: 2716-23 (2009) Article DOI: 10.1021/jm8011905 BindingDB Entry DOI: 10.7270/Q2RF5SBT
					More data for this Ligand-Target Pair
Genome polyprotein [1658-1692] (Hepatitis C virus)	BDBM92631 ((3R)-3-{[(1S)-1-(4-chloro-2-fluoro-3-phenoxyphenyl...) Show SMILES CC[C@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(Oc2ccccc2)c1F |r| Show InChI InChI=1S/C19H22ClFN2O2/c1-3-16(23-12(2)11-17(22)24)14-9-10-15(20)19(18(14)21)25-13-7-5-4-6-8-13/h4-10,12,16,23H,3,11H2,1-2H3,(H2,22,24)/t12-,16+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	25
Astex Pharmaceuticals					Assay Description The protease activity of the full-length NS3-NS4a and the protease domain were measured using a FRET-based assay using a peptide substrate derived fr...				Nat Chem Biol 8: 920-5 (2012) Article DOI: 10.1038/nchembio.1081 BindingDB Entry DOI: 10.7270/Q26Q1VVN
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (isolate Taiwan))	BDBM29330 (benzenesulfonamide derivative, 2) Show SMILES COc1ccc(cc1)-c1cc(nc(NS(=O)(=O)c2ccc(N)cc2)n1)-c1ccc(cc1)N(C)C Show InChI InChI=1S/C25H25N5O3S/c1-30(2)20-10-4-17(5-11-20)23-16-24(18-6-12-21(33-3)13-7-18)28-25(27-23)29-34(31,32)22-14-8-19(26)9-15-22/h4-16H,26H2,1-3H3,(H,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.0	22
National Taiwan University					Assay Description The enzyme was assayed the DNA helicase activity by using DNA substrate (annealed BHQ1-labeled release strand and FITC-labeled template strand) in th...				J Med Chem 52: 2716-23 (2009) Article DOI: 10.1021/jm8011905 BindingDB Entry DOI: 10.7270/Q2RF5SBT
					More data for this Ligand-Target Pair