Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50017419   

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
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181938 (1-Cyclohexyl-2-[2-fluoro-4-(phenyl-pyridin-3-yl-me...) Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2cccnc2)cc1F Show InChI InChI=1S/C32H28FN3O3/c33-27-19-25(39-30(21-8-3-1-4-9-21)23-10-7-17-34-20-23)14-15-26(27)31-35-28-18-22(32(37)38)13-16-29(28)36(31)24-11-5-2-6-12-24/h1,3-4,7-10,13-20,24,30H,2,5-6,11-12H2,(H,37,38)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 16: 1859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.01.032 BindingDB Entry DOI: 10.7270/Q2BK1BX6
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181941 (2-(4-(benzhydryloxy)-2-fluorophenyl)-1-cyclohexyl-...) Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2ccccc2)cc1F Show InChI InChI=1S/C33H29FN2O3/c34-28-21-26(39-31(22-10-4-1-5-11-22)23-12-6-2-7-13-23)17-18-27(28)32-35-29-20-24(33(37)38)16-19-30(29)36(32)25-14-8-3-9-15-25/h1-2,4-7,10-13,16-21,25,31H,3,8-9,14-15H2,(H,37,38)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 16: 1859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.01.032 BindingDB Entry DOI: 10.7270/Q2BK1BX6
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181927 (2-(4-(bis(4-fluorophenyl)methoxy)-2-fluorophenyl)-...) Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1F Show InChI InChI=1S/C33H27F3N2O3/c34-23-11-6-20(7-12-23)31(21-8-13-24(35)14-9-21)41-26-15-16-27(28(36)19-26)32-37-29-18-22(33(39)40)10-17-30(29)38(32)25-4-2-1-3-5-25/h6-19,25,31H,1-5H2,(H,39,40)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 16: 1859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.01.032 BindingDB Entry DOI: 10.7270/Q2BK1BX6
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181926 (2-{4-[Bis-(4-dimethylcarbamoyl-phenyl)-methoxy]-2-...) Show SMILES CN(C)C(=O)c1ccc(cc1)C(Oc1ccc(-c2nc3cc(ccc3n2C2CCCCC2)C(O)=O)c(F)c1)c1ccc(cc1)C(=O)N(C)C Show InChI InChI=1S/C39H39FN4O5/c1-42(2)37(45)26-14-10-24(11-15-26)35(25-12-16-27(17-13-25)38(46)43(3)4)49-30-19-20-31(32(40)23-30)36-41-33-22-28(39(47)48)18-21-34(33)44(36)29-8-6-5-7-9-29/h10-23,29,35H,5-9H2,1-4H3,(H,47,48)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 16: 1859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.01.032 BindingDB Entry DOI: 10.7270/Q2BK1BX6
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181923 (2-(4-(benzhydryloxy)phenyl)-1-cyclohexyl-1H-benzo[...) Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C33H30N2O3/c36-33(37)26-18-21-30-29(22-26)34-32(35(30)27-14-8-3-9-15-27)25-16-19-28(20-17-25)38-31(23-10-4-1-5-11-23)24-12-6-2-7-13-24/h1-2,4-7,10-13,16-22,27,31H,3,8-9,14-15H2,(H,36,37)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 16: 1859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.01.032 BindingDB Entry DOI: 10.7270/Q2BK1BX6
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181933 (2-(4-(bis(4-fluorophenyl)methoxy)phenyl)-1-cyclohe...) Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C33H28F2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 16: 1859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.01.032 BindingDB Entry DOI: 10.7270/Q2BK1BX6
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181922 (2-(4-(bis(3-fluorophenyl)methoxy)phenyl)-1-cyclohe...) Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2cccc(F)c2)c2cccc(F)c2)cc1 Show InChI InChI=1S/C33H28F2N2O3/c34-25-8-4-6-22(18-25)31(23-7-5-9-26(35)19-23)40-28-15-12-21(13-16-28)32-36-29-20-24(33(38)39)14-17-30(29)37(32)27-10-2-1-3-11-27/h4-9,12-20,27,31H,1-3,10-11H2,(H,38,39)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 16: 1859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.01.032 BindingDB Entry DOI: 10.7270/Q2BK1BX6
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181935 (1-Cyclohexyl-2-[4-(di-pyridin-3-yl-methoxy)-2-fluo...) Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2cccnc2)c2cccnc2)cc1F Show InChI InChI=1S/C31H27FN4O3/c32-26-17-24(39-29(21-6-4-14-33-18-21)22-7-5-15-34-19-22)11-12-25(26)30-35-27-16-20(31(37)38)10-13-28(27)36(30)23-8-2-1-3-9-23/h4-7,10-19,23,29H,1-3,8-9H2,(H,37,38)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 16: 1859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.01.032 BindingDB Entry DOI: 10.7270/Q2BK1BX6
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181932 (2-(4-(bis(4-chlorophenyl)methoxy)phenyl)-1-cyclohe...) Show SMILES OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C33H28Cl2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 16: 1859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.01.032 BindingDB Entry DOI: 10.7270/Q2BK1BX6
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50181929 (1-cyclohexyl-2-(4-(dip-tolylmethoxy)phenyl)-1H-ben...) Show SMILES Cc1ccc(cc1)C(Oc1ccc(cc1)-c1nc2cc(ccc2n1C1CCCCC1)C(O)=O)c1ccc(C)cc1 Show InChI InChI=1S/C35H34N2O3/c1-23-8-12-25(13-9-23)33(26-14-10-24(2)11-15-26)40-30-19-16-27(17-20-30)34-36-31-22-28(35(38)39)18-21-32(31)37(34)29-6-4-3-5-7-29/h8-22,29,33H,3-7H2,1-2H3,(H,38,39)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against HCV 1a NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 16: 1859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.01.032 BindingDB Entry DOI: 10.7270/Q2BK1BX6
					More data for this Ligand-Target Pair