Compile Data Set for Download or QSAR

Found 251 hits with Last Name = 'loi' and Initial = 'ag'   

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)	BDBM50142916 ((1S,4R,6S,14S,18R)-14-Cyclopentyloxycarbonylamino-...) Show SMILES COc1ccc2c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C/[C@@H]3C[C@]3(NC4=O)C(O)=O)NC(=O)OC3CCCC3)cc(nc2c1)-c1csc(NC(C)C)n1 |r,c:22| Show InChI InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay				Bioorg Med Chem Lett 24: 4444-9 (2014) Article DOI: 10.1016/j.bmcl.2014.08.002 BindingDB Entry DOI: 10.7270/Q20C4XBK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50023510 (CHEMBL3326826) Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4cc(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:47,@:7| Show InChI InChI=1S/C37H46N6O7S2/c1-22(2)29-21-51-32(39-29)28-18-31(26-12-11-25(49-5)17-27(26)38-28)50-20-24-16-30-33(44)42(4)15-9-7-6-8-10-23-19-37(23,40-35(46)43(24)30)34(45)41-52(47,48)36(3)13-14-36/h8,10-12,17-18,21-24,30H,6-7,9,13-16,19-20H2,1-5H3,(H,40,46)(H,41,45)/b10-8-/t23-,24-,30-,37-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay				Bioorg Med Chem Lett 24: 4444-9 (2014) Article DOI: 10.1016/j.bmcl.2014.08.002 BindingDB Entry DOI: 10.7270/Q20C4XBK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50023579 (CHEMBL3326830) Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4c(Cl)c(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:48,@:7| Show InChI InChI=1S/C37H45ClN6O7S2/c1-21(2)26-20-52-32(40-26)25-17-29(24-11-12-28(50-5)30(38)31(24)39-25)51-19-23-16-27-33(45)43(4)15-9-7-6-8-10-22-18-37(22,41-35(47)44(23)27)34(46)42-53(48,49)36(3)13-14-36/h8,10-12,17,20-23,27H,6-7,9,13-16,18-19H2,1-5H3,(H,41,47)(H,42,46)/b10-8-/t22-,23-,27-,37-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay				Bioorg Med Chem Lett 24: 4444-9 (2014) Article DOI: 10.1016/j.bmcl.2014.08.002 BindingDB Entry DOI: 10.7270/Q20C4XBK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50023508 (CHEMBL3326539) Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@@H](COc3cc(nc4cc(OC)ccc34)-c3ccccc3)C[C@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1CC1 |r,c:45,@:7| Show InChI InChI=1S/C36H41N5O7S/c1-40-17-9-4-3-8-12-24-21-36(24,34(43)39-49(45,46)27-14-15-27)38-35(44)41-25(18-31(41)33(40)42)22-48-32-20-29(23-10-6-5-7-11-23)37-30-19-26(47-2)13-16-28(30)32/h5-8,10-13,16,19-20,24-25,27,31H,3-4,9,14-15,17-18,21-22H2,1-2H3,(H,38,44)(H,39,43)/b12-8-/t24-,25+,31+,36-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay				Bioorg Med Chem Lett 24: 4444-9 (2014) Article DOI: 10.1016/j.bmcl.2014.08.002 BindingDB Entry DOI: 10.7270/Q20C4XBK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534627 (CHEMBL4527971) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C27H26N5O4PS/c1-15-5-10-22(16(2)11-15)37(35,36-4)31-21-13-23(38-26(21)27(33)34)19-8-6-18(7-9-19)20-14-25-29-17(3)12-24(28)32(25)30-20/h5-14H,28H2,1-4H3,(H,31,35)(H,33,34)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534648 (CHEMBL4463284) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1cc2ncccc2o1)c1ccc(C)cc1C Show InChI InChI=1S/C27H23N2O5PS/c1-16-6-11-24(17(2)13-16)35(32,33-3)29-21-15-25(36-26(21)27(30)31)19-9-7-18(8-10-19)23-14-20-22(34-23)5-4-12-28-20/h4-15H,1-3H3,(H,29,32)(H,30,31)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534659 (CHEMBL4464159) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1cc2ccccc2o1)c1ccc(C)cc1C Show InChI InChI=1S/C28H24NO5PS/c1-17-8-13-25(18(2)14-17)35(32,33-3)29-22-16-26(36-27(22)28(30)31)20-11-9-19(10-12-20)24-15-21-6-4-5-7-23(21)34-24/h4-16H,1-3H3,(H,29,32)(H,30,31)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50023578 (CHEMBL3326829) Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4c(C)c(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:48,@:7| Show InChI InChI=1S/C38H48N6O7S2/c1-22(2)28-21-52-33(40-28)27-18-31(26-12-13-30(50-6)23(3)32(26)39-27)51-20-25-17-29-34(45)43(5)16-10-8-7-9-11-24-19-38(24,41-36(47)44(25)29)35(46)42-53(48,49)37(4)14-15-37/h9,11-13,18,21-22,24-25,29H,7-8,10,14-17,19-20H2,1-6H3,(H,41,47)(H,42,46)/b11-9-/t24-,25-,29-,38-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay				Bioorg Med Chem Lett 24: 4444-9 (2014) Article DOI: 10.1016/j.bmcl.2014.08.002 BindingDB Entry DOI: 10.7270/Q20C4XBK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534649 (CHEMBL4451988) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)ccn2n1)c1ccc(C)cc1C Show InChI InChI=1S/C27H25N4O4PS/c1-16-5-10-23(17(2)13-16)36(34,35-4)30-22-14-24(37-26(22)27(32)33)20-8-6-19(7-9-20)21-15-25-28-18(3)11-12-31(25)29-21/h5-15H,1-4H3,(H,30,34)(H,32,33)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50534627 (CHEMBL4527971) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C27H26N5O4PS/c1-15-5-10-22(16(2)11-15)37(35,36-4)31-21-13-23(38-26(21)27(33)34)19-8-6-18(7-9-19)20-14-25-29-17(3)12-24(28)32(25)30-20/h5-14H,28H2,1-4H3,(H,31,35)(H,33,34)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534646 (CHEMBL4567705) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)C#Cc1ccsc1)c1ccc(C)cc1C Show InChI InChI=1S/C26H22NO4PS2/c1-17-4-11-23(18(2)14-17)32(30,31-3)27-22-15-24(34-25(22)26(28)29)21-9-7-19(8-10-21)5-6-20-12-13-33-16-20/h4,7-16H,1-3H3,(H,27,30)(H,28,29)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50534628 (CHEMBL4441238) Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H26N7O4P/c1-15-5-10-22(16(2)11-15)38(36,37-4)31-25-20(26(34)35)14-32(30-25)19-8-6-18(7-9-19)21-13-24-28-17(3)12-23(27)33(24)29-21/h5-14H,27H2,1-4H3,(H,34,35)(H,30,31,36)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50534628 (CHEMBL4441238) Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H26N7O4P/c1-15-5-10-22(16(2)11-15)38(36,37-4)31-25-20(26(34)35)14-32(30-25)19-8-6-18(7-9-19)21-13-24-28-17(3)12-23(27)33(24)29-21/h5-14H,27H2,1-4H3,(H,34,35)(H,30,31,36)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50534629 (CHEMBL4444480) Show SMILES COP(=O)(Nc1nc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H25N6O4PS/c1-14-5-10-20(15(2)11-14)37(35,36-4)31-24-23(26(33)34)38-25(29-24)18-8-6-17(7-9-18)19-13-22-28-16(3)12-21(27)32(22)30-19/h5-13H,27H2,1-4H3,(H,31,35)(H,33,34)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534647 (CHEMBL4522572) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)-c1cc2ccccc2s1)c1ccc(C)cc1C Show InChI InChI=1S/C28H24NO4PS2/c1-17-8-13-23(18(2)14-17)34(32,33-3)29-22-16-26(36-27(22)28(30)31)20-11-9-19(10-12-20)25-15-21-6-4-5-7-24(21)35-25/h4-16H,1-3H3,(H,29,32)(H,30,31)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50534630 (CHEMBL4545438) Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nccc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C25H24N7O4P/c1-15-4-9-21(16(2)12-15)37(35,36-3)30-24-19(25(33)34)14-31(29-24)18-7-5-17(6-8-18)20-13-23-27-11-10-22(26)32(23)28-20/h4-14H,26H2,1-3H3,(H,33,34)(H,29,30,35)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus)	BDBM50023509 (CHEMBL3326540) Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4c(F)c(OC)ccc34)-c3nc(cs3)C(C)C)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1(C)CC1 |r,c:48,@:7| Show InChI InChI=1S/C37H45FN6O7S2/c1-21(2)26-20-52-32(40-26)25-17-29(24-11-12-28(50-5)30(38)31(24)39-25)51-19-23-16-27-33(45)43(4)15-9-7-6-8-10-22-18-37(22,41-35(47)44(23)27)34(46)42-53(48,49)36(3)13-14-36/h8,10-12,17,20-23,27H,6-7,9,13-16,18-19H2,1-5H3,(H,41,47)(H,42,46)/b10-8-/t22-,23-,27-,37-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay				Bioorg Med Chem Lett 24: 4444-9 (2014) Article DOI: 10.1016/j.bmcl.2014.08.002 BindingDB Entry DOI: 10.7270/Q20C4XBK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50534650 (CHEMBL4593826) Show SMILES COP(=O)(Nc1nc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nccc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C25H23N6O4PS/c1-14-4-9-19(15(2)12-14)36(34,35-3)30-23-22(25(32)33)37-24(28-23)17-7-5-16(6-8-17)18-13-21-27-11-10-20(26)31(21)29-18/h4-13H,26H2,1-3H3,(H,30,34)(H,32,33)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50534628 (CHEMBL4441238) Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H26N7O4P/c1-15-5-10-22(16(2)11-15)38(36,37-4)31-25-20(26(34)35)14-32(30-25)19-8-6-18(7-9-19)21-13-24-28-17(3)12-23(27)33(24)29-21/h5-14H,27H2,1-4H3,(H,34,35)(H,30,31,36)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	18.5	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534635 (CHEMBL4464724) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(Cl)cc1)c1ccc(C)cc1C Show InChI InChI=1S/C20H19ClNO4PS/c1-12-4-9-17(13(2)10-12)27(25,26-3)22-16-11-18(28-19(16)20(23)24)14-5-7-15(21)8-6-14/h4-11H,1-3H3,(H,22,25)(H,23,24)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50534629 (CHEMBL4444480) Show SMILES COP(=O)(Nc1nc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H25N6O4PS/c1-14-5-10-20(15(2)11-14)37(35,36-4)31-24-23(26(33)34)38-25(29-24)18-8-6-17(7-9-18)19-13-22-28-16(3)12-21(27)32(22)30-19/h5-13H,27H2,1-4H3,(H,31,35)(H,33,34)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 4a1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2278 (3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxami...) Show SMILES NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C15H11ClN2O3S/c16-9-6-7-12-11(8-9)14(13(18-12)15(17)19)22(20,21)10-4-2-1-3-5-10/h1-8,18H,(H2,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 46: 2482-93 (2003) Article DOI: 10.1021/jm0211063 BindingDB Entry DOI: 10.7270/Q2BP0101
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50534652 (CHEMBL4471005) Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)ccn2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H25N6O4P/c1-16-5-10-23(17(2)13-16)37(35,36-4)30-25-21(26(33)34)15-32(29-25)20-8-6-19(7-9-20)22-14-24-27-18(3)11-12-31(24)28-22/h5-15H,1-4H3,(H,33,34)(H,29,30,35)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534655 (CHEMBL4441399) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(Cl)cc1)c1ccc(Cl)cc1C Show InChI InChI=1S/C19H16Cl2NO4PS/c1-11-9-14(21)7-8-16(11)27(25,26-2)22-15-10-17(28-18(15)19(23)24)12-3-5-13(20)6-4-12/h3-10H,1-2H3,(H,22,25)(H,23,24)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50534628 (CHEMBL4441238) Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nc(C)cc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C26H26N7O4P/c1-15-5-10-22(16(2)11-15)38(36,37-4)31-25-20(26(34)35)14-32(30-25)19-8-6-18(7-9-19)21-13-24-28-17(3)12-23(27)33(24)29-21/h5-14H,27H2,1-4H3,(H,34,35)(H,30,31,36)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 4a1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2482 (5-Chloro-3-[(3,5-dimethylphenyl)sulfonyl]-1H-indol...) Show SMILES Cc1cc(C)cc(c1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(N)=O Show InChI InChI=1S/C17H15ClN2O3S/c1-9-5-10(2)7-12(6-9)24(22,23)16-13-8-11(18)3-4-14(13)20-15(16)17(19)21/h3-8,20H,1-2H3,(H2,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 46: 2482-93 (2003) Article DOI: 10.1021/jm0211063 BindingDB Entry DOI: 10.7270/Q2BP0101
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 46: 2482-93 (2003) Article DOI: 10.1021/jm0211063 BindingDB Entry DOI: 10.7270/Q2BP0101
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50534651 (CHEMBL4548240) Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2ncccn2n1)c1ccc(C)cc1C Show InChI InChI=1S/C25H23N6O4P/c1-16-5-10-22(17(2)13-16)36(34,35-3)29-24-20(25(32)33)15-31(28-24)19-8-6-18(7-9-19)21-14-23-26-11-4-12-30(23)27-21/h4-15H,1-3H3,(H,32,33)(H,28,29,34)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (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	35	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2337 (6-benzyl-1-(ethoxymethyl)-5-(propan-2-yl)-1,2,3,4-...) Show SMILES CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O Show InChI InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 42: 619-27 (1999) Article DOI: 10.1021/jm980260f BindingDB Entry DOI: 10.7270/Q2445JPQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Genome polyprotein (Hepatitis C virus)	BDBM50023507 (CHEMBL3326538) Show SMILES [H][C@]12C[C@@]1(NC(=O)N1[C@H](COc3cc(nc4cc(OC)ccc34)-c3ccccc3)C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)C(=O)NS(=O)(=O)C1CC1 |r,c:45,@:7| Show InChI InChI=1S/C36H41N5O7S/c1-40-17-9-4-3-8-12-24-21-36(24,34(43)39-49(45,46)27-14-15-27)38-35(44)41-25(18-31(41)33(40)42)22-48-32-20-29(23-10-6-5-7-11-23)37-30-19-26(47-2)13-16-28(30)32/h5-8,10-13,16,19-20,24-25,27,31H,3-4,9,14-15,17-18,21-22H2,1-2H3,(H,38,44)(H,39,43)/b12-8-/t24-,25-,31-,36-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
IDENIX Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of full length Hepatitis C virus genotype 1b Con1 NS3/4A by FRET assay				Bioorg Med Chem Lett 24: 4444-9 (2014) Article DOI: 10.1016/j.bmcl.2014.08.002 BindingDB Entry DOI: 10.7270/Q20C4XBK
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534645 (CHEMBL4563132) Show SMILES COP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(cc1)C#CC1CC1)c1ccc(C)cc1C Show InChI InChI=1S/C25H24NO4PS/c1-16-4-13-22(17(2)14-16)31(29,30-3)26-21-15-23(32-24(21)25(27)28)20-11-9-19(10-12-20)8-7-18-5-6-18/h4,9-15,18H,5-6H2,1-3H3,(H,26,29)(H,27,28)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2334 (6-[(2,6-difluorophenyl)methyl]-5-methyl-2-(propan-...) Show SMILES CC(C)Sc1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C15H16F2N2OS/c1-8(2)21-15-18-13(9(3)14(20)19-15)7-10-11(16)5-4-6-12(10)17/h4-6,8H,7H2,1-3H3,(H,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 42: 619-27 (1999) Article DOI: 10.1021/jm980260f BindingDB Entry DOI: 10.7270/Q2445JPQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2331 (6-[(2,6-difluorophenyl)methyl]-2-(propan-2-ylsulfa...) Show SMILES CC(C)Sc1nc(Cc2c(F)cccc2F)cc(=O)[nH]1 Show InChI InChI=1S/C14H14F2N2OS/c1-8(2)20-14-17-9(7-13(19)18-14)6-10-11(15)4-3-5-12(10)16/h3-5,7-8H,6H2,1-2H3,(H,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 42: 619-27 (1999) Article DOI: 10.1021/jm980260f BindingDB Entry DOI: 10.7270/Q2445JPQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2332 (2-(butan-2-ylsulfanyl)-6-[(2,6-difluorophenyl)meth...) Show SMILES CCC(C)Sc1nc(Cc2c(F)cccc2F)cc(=O)[nH]1 Show InChI InChI=1S/C15H16F2N2OS/c1-3-9(2)21-15-18-10(8-14(20)19-15)7-11-12(16)5-4-6-13(11)17/h4-6,8-9H,3,7H2,1-2H3,(H,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 42: 619-27 (1999) Article DOI: 10.1021/jm980260f BindingDB Entry DOI: 10.7270/Q2445JPQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2399 (Pyrrolyl Aryl Sulfone (PAS) 20 | ethyl 1-[(2-amino...) Show SMILES CCOC(=O)c1cc(CO)cn1S(=O)(=O)c1cc(Cl)ccc1N Show InChI InChI=1S/C14H15ClN2O5S/c1-2-22-14(19)12-5-9(8-18)7-17(12)23(20,21)13-6-10(15)3-4-11(13)16/h3-7,18H,2,8,16H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 1886-91 (2000) Article DOI: 10.1021/jm9901125 BindingDB Entry DOI: 10.7270/Q20C4SZ0
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2335 (2-(butan-2-ylsulfanyl)-6-[(2,6-difluorophenyl)meth...) Show SMILES CCC(C)Sc1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C16H18F2N2OS/c1-4-9(2)22-16-19-14(10(3)15(21)20-16)8-11-12(17)6-5-7-13(11)18/h5-7,9H,4,8H2,1-3H3,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 42: 619-27 (1999) Article DOI: 10.1021/jm980260f BindingDB Entry DOI: 10.7270/Q2445JPQ
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50534650 (CHEMBL4593826) Show SMILES COP(=O)(Nc1nc(sc1C(O)=O)-c1ccc(cc1)-c1cc2nccc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C25H23N6O4PS/c1-14-4-9-19(15(2)12-14)36(34,35-3)30-23-22(25(32)33)37-24(28-23)17-7-5-16(6-8-17)18-13-21-27-11-10-20(26)31(21)29-18/h4-13H,26H2,1-3H3,(H,30,34)(H,32,33)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 4a1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534632 (CHEMBL4578396) Show SMILES COP(=O)(N(C)c1cc(sc1C(O)=O)-c1ccc(Cl)cc1)c1ccc(C)cc1C Show InChI InChI=1S/C21H21ClNO4PS/c1-13-5-10-18(14(2)11-13)28(26,27-4)23(3)17-12-19(29-20(17)21(24)25)15-6-8-16(22)9-7-15/h5-12H,1-4H3,(H,24,25)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2383 (2-(butan-2-ylsulfanyl)-6-[(2,6-dichlorophenyl)meth...) Show SMILES CCC(C)Sc1nc(Cc2c(Cl)cccc2Cl)c(C)c(=O)[nH]1 Show InChI InChI=1S/C16H18Cl2N2OS/c1-4-9(2)22-16-19-14(10(3)15(21)20-16)8-11-12(17)6-5-7-13(11)18/h5-7,9H,4,8H2,1-3H3,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 42: 619-27 (1999) Article DOI: 10.1021/jm980260f BindingDB Entry DOI: 10.7270/Q2445JPQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2392 (2-(cyclohexylsulfanyl)-6-[(2,6-difluorophenyl)meth...) Show SMILES Cc1c(Cc2c(F)cccc2F)nc(SC2CCCCC2)[nH]c1=O Show InChI InChI=1S/C18H20F2N2OS/c1-11-16(10-13-14(19)8-5-9-15(13)20)21-18(22-17(11)23)24-12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10H2,1H3,(H,21,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 42: 619-27 (1999) Article DOI: 10.1021/jm980260f BindingDB Entry DOI: 10.7270/Q2445JPQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2481 (5-Chloro-3-[(4-methylphenyl)sulfonyl]-1H-indole-2-...) Show SMILES Cc1ccc(cc1)S(=O)(=O)c1c([nH]c2ccc(Cl)cc12)C(N)=O Show InChI InChI=1S/C16H13ClN2O3S/c1-9-2-5-11(6-3-9)23(21,22)15-12-8-10(17)4-7-13(12)19-14(15)16(18)20/h2-8,19H,1H3,(H2,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 46: 2482-93 (2003) Article DOI: 10.1021/jm0211063 BindingDB Entry DOI: 10.7270/Q2BP0101
					More data for this Ligand-Target Pair
RNA-directed RNA polymerase (Hepatitis C virus)	BDBM50534630 (CHEMBL4545438) Show SMILES COP(=O)(Nc1nn(cc1C(O)=O)-c1ccc(cc1)-c1cc2nccc(N)n2n1)c1ccc(C)cc1C Show InChI InChI=1S/C25H24N7O4P/c1-15-4-9-21(16(2)12-15)37(35,36-3)30-24-19(25(33)34)14-31(29-24)18-7-5-17(6-8-18)20-13-23-27-11-10-22(26)32(23)28-20/h4-14H,26H2,1-3H3,(H,33,34)(H,29,30,35)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 4a1 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2336 (2-(cyclopentylsulfanyl)-6-[(2,6-difluorophenyl)met...) Show SMILES Cc1c(Cc2c(F)cccc2F)nc(SC2CCCC2)[nH]c1=O Show InChI InChI=1S/C17H18F2N2OS/c1-10-15(9-12-13(18)7-4-8-14(12)19)20-17(21-16(10)22)23-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9H2,1H3,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 42: 619-27 (1999) Article DOI: 10.1021/jm980260f BindingDB Entry DOI: 10.7270/Q2445JPQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2333 (2-(cyclopentylsulfanyl)-6-[(2,6-difluorophenyl)met...) Show SMILES Fc1cccc(F)c1Cc1cc(=O)[nH]c(SC2CCCC2)n1 Show InChI InChI=1S/C16H16F2N2OS/c17-13-6-3-7-14(18)12(13)8-10-9-15(21)20-16(19-10)22-11-4-1-2-5-11/h3,6-7,9,11H,1-2,4-5,8H2,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 42: 619-27 (1999) Article DOI: 10.1021/jm980260f BindingDB Entry DOI: 10.7270/Q2445JPQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2397 (Ethyl 1-[(2-Amino-5-chlorophenyl)sulfonyl]-4-methy...) Show SMILES CCOC(=O)c1cc(C)cn1S(=O)(=O)c1cc(Cl)ccc1N Show InChI InChI=1S/C14H15ClN2O4S/c1-3-21-14(18)12-6-9(2)8-17(12)22(19,20)13-7-10(15)4-5-11(13)16/h4-8H,3,16H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 43: 1886-91 (2000) Article DOI: 10.1021/jm9901125 BindingDB Entry DOI: 10.7270/Q20C4SZ0
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus genotype 1b (strain HC-J4) (HCV))	BDBM50534637 (CHEMBL4459000) Show SMILES CCOP(=O)(Nc1cc(sc1C(O)=O)-c1ccc(Cl)cc1)c1ccc(Cl)cc1C Show InChI InChI=1S/C20H18Cl2NO4PS/c1-3-27-28(26,17-9-8-15(22)10-12(17)2)23-16-11-18(29-19(16)20(24)25)13-4-6-14(21)7-5-13/h4-11H,3H2,1-2H3,(H,23,26)(H,24,25)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Idenix SARL, an MSD Company Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b J4 NS5B RNA dependent RNA polymerase				Bioorg Med Chem Lett 26: 4536-4541 (2016) Article DOI: 10.1016/j.bmcl.2016.01.042 BindingDB Entry DOI: 10.7270/Q23F4T5Q
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C] (Human immunodeficiency virus type 1)	BDBM2483 ((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...) Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r| Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	7.8	37
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 46: 2482-93 (2003) Article DOI: 10.1021/jm0211063 BindingDB Entry DOI: 10.7270/Q2BP0101
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2388 (2-(butylsulfanyl)-6-[(2,6-difluorophenyl)methyl]-5...) Show SMILES CCCCSc1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1 Show InChI InChI=1S/C16H18F2N2OS/c1-3-4-8-22-16-19-14(10(2)15(21)20-16)9-11-12(17)6-5-7-13(11)18/h5-7H,3-4,8-9H2,1-2H3,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 42: 619-27 (1999) Article DOI: 10.1021/jm980260f BindingDB Entry DOI: 10.7270/Q2445JPQ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1)	BDBM2378 (2-(cyclohexylsulfanyl)-6-[(2,6-difluorophenyl)meth...) Show SMILES Fc1cccc(F)c1Cc1cc(=O)[nH]c(SC2CCCCC2)n1 Show InChI InChI=1S/C17H18F2N2OS/c18-14-7-4-8-15(19)13(14)9-11-10-16(22)21-17(20-11)23-12-5-2-1-3-6-12/h4,7-8,10,12H,1-3,5-6,9H2,(H,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Roma La Sapienza					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 42: 619-27 (1999) Article DOI: 10.1021/jm980260f BindingDB Entry DOI: 10.7270/Q2445JPQ
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 251 total )  |  Next  |  Last  >>

Jump to: