Compile Data Set for Download or QSAR

Found 226 hits with Last Name = 'patel' and Initial = 'sv'   

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
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM300426 (US10130622, Example 00005) Show SMILES COCCS(=O)(=O)NC(=O)c1cc(N2CCC(COC)CC2)c2c(nn(-c3ccc(F)cc3)c2n1)C(C)C Show InChI InChI=1S/C26H34FN5O5S/c1-17(2)24-23-22(31-11-9-18(10-12-31)16-37-4)15-21(26(33)30-38(34,35)14-13-36-3)28-25(23)32(29-24)20-7-5-19(27)6-8-20/h5-8,15,17-18H,9-14,16H2,1-4H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description For this purpose, HEK293 cells are transfected with plasmid DNA containing WT CFTR and seeded in 96 well plates (70,000 HEK cells/well). Two days aft...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator [G550E] (Homo sapiens (Human))	BDBM300426 (US10130622, Example 00005) Show SMILES COCCS(=O)(=O)NC(=O)c1cc(N2CCC(COC)CC2)c2c(nn(-c3ccc(F)cc3)c2n1)C(C)C Show InChI InChI=1S/C26H34FN5O5S/c1-17(2)24-23-22(31-11-9-18(10-12-31)16-37-4)15-21(26(33)30-38(34,35)14-13-36-3)28-25(23)32(29-24)20-7-5-19(27)6-8-20/h5-8,15,17-18H,9-14,16H2,1-4H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description YFP-Halide Influx Assay for the CFTR-ΔF508 Mutation and Suppressor mutants (I539T or G550E)The YFP halide influx assay measures the functionalit...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM300426 (US10130622, Example 00005) Show SMILES COCCS(=O)(=O)NC(=O)c1cc(N2CCC(COC)CC2)c2c(nn(-c3ccc(F)cc3)c2n1)C(C)C Show InChI InChI=1S/C26H34FN5O5S/c1-17(2)24-23-22(31-11-9-18(10-12-31)16-37-4)15-21(26(33)30-38(34,35)14-13-36-3)28-25(23)32(29-24)20-7-5-19(27)6-8-20/h5-8,15,17-18H,9-14,16H2,1-4H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description For this purpose, HEK293 cells are transfected with plasmid DNA containing WT CFTR and seeded in 96 well plates (70,000 HEK cells/well). Two days aft...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM300427 (US10130622, Example 00006) Show SMILES COCCS(=O)(=O)NC(=O)c1cc(N2CCC(CC2)OC)c2c(nn(-c3ccccc3)c2n1)C1CCC1 Show InChI InChI=1S/C26H33N5O5S/c1-35-15-16-37(33,34)29-26(32)21-17-22(30-13-11-20(36-2)12-14-30)23-24(18-7-6-8-18)28-31(25(23)27-21)19-9-4-3-5-10-19/h3-5,9-10,17-18,20H,6-8,11-16H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description For this purpose, HEK293 cells are transfected with plasmid DNA containing WT CFTR and seeded in 96 well plates (70,000 HEK cells/well). Two days aft...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM300428 (BDBM300430 | US10130622, Example 00007) Show SMILES CS(=O)(=O)NC(=O)c1cc(-c2ccc(nc2)N2CCC(CC2)C#N)c2c(nn(-c3ccccc3)c2n1)C1CCC1 Show InChI InChI=1S/C29H29N7O3S/c1-40(38,39)34-29(37)24-16-23(21-10-11-25(31-18-21)35-14-12-19(17-30)13-15-35)26-27(20-6-5-7-20)33-36(28(26)32-24)22-8-3-2-4-9-22/h2-4,8-11,16,18-20H,5-7,12-15H2,1H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description For this purpose, HEK293 cells are transfected with plasmid DNA containing WT CFTR and seeded in 96 well plates (70,000 HEK cells/well). Two days aft...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator [G550E] (Homo sapiens (Human))	BDBM300427 (US10130622, Example 00006) Show SMILES COCCS(=O)(=O)NC(=O)c1cc(N2CCC(CC2)OC)c2c(nn(-c3ccccc3)c2n1)C1CCC1 Show InChI InChI=1S/C26H33N5O5S/c1-35-15-16-37(33,34)29-26(32)21-17-22(30-13-11-20(36-2)12-14-30)23-24(18-7-6-8-18)28-31(25(23)27-21)19-9-4-3-5-10-19/h3-5,9-10,17-18,20H,6-8,11-16H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	417	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description YFP-Halide Influx Assay for the CFTR-ΔF508 Mutation and Suppressor mutants (I539T or G550E)The YFP halide influx assay measures the functionalit...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator [G550E] (Homo sapiens (Human))	BDBM300428 (BDBM300430 | US10130622, Example 00007) Show SMILES CS(=O)(=O)NC(=O)c1cc(-c2ccc(nc2)N2CCC(CC2)C#N)c2c(nn(-c3ccccc3)c2n1)C1CCC1 Show InChI InChI=1S/C29H29N7O3S/c1-40(38,39)34-29(37)24-16-23(21-10-11-25(31-18-21)35-14-12-19(17-30)13-15-35)26-27(20-6-5-7-20)33-36(28(26)32-24)22-8-3-2-4-9-22/h2-4,8-11,16,18-20H,5-7,12-15H2,1H3,(H,34,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	496	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description YFP-Halide Influx Assay for the CFTR-ΔF508 Mutation and Suppressor mutants (I539T or G550E)The YFP halide influx assay measures the functionalit...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM300428 (BDBM300430 | US10130622, Example 00007) Show SMILES CS(=O)(=O)NC(=O)c1cc(-c2ccc(nc2)N2CCC(CC2)C#N)c2c(nn(-c3ccccc3)c2n1)C1CCC1 Show InChI InChI=1S/C29H29N7O3S/c1-40(38,39)34-29(37)24-16-23(21-10-11-25(31-18-21)35-14-12-19(17-30)13-15-35)26-27(20-6-5-7-20)33-36(28(26)32-24)22-8-3-2-4-9-22/h2-4,8-11,16,18-20H,5-7,12-15H2,1H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description For this purpose, HEK293 cells are transfected with plasmid DNA containing WT CFTR and seeded in 96 well plates (70,000 HEK cells/well). Two days aft...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM300427 (US10130622, Example 00006) Show SMILES COCCS(=O)(=O)NC(=O)c1cc(N2CCC(CC2)OC)c2c(nn(-c3ccccc3)c2n1)C1CCC1 Show InChI InChI=1S/C26H33N5O5S/c1-35-15-16-37(33,34)29-26(32)21-17-22(30-13-11-20(36-2)12-14-30)23-24(18-7-6-8-18)28-31(25(23)27-21)19-9-4-3-5-10-19/h3-5,9-10,17-18,20H,6-8,11-16H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>6.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description For this purpose, HEK293 cells are transfected with plasmid DNA containing WT CFTR and seeded in 96 well plates (70,000 HEK cells/well). Two days aft...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM300429 (US10130622, Example 00008) Show SMILES CC(C)c1nn(-c2cc[nH]c(=O)c2)c2nc(cc(-c3ccc(cc3)N(C)C)c12)C(O)=O Show InChI InChI=1S/C23H23N5O3/c1-13(2)21-20-17(14-5-7-15(8-6-14)27(3)4)12-18(23(30)31)25-22(20)28(26-21)16-9-10-24-19(29)11-16/h5-13H,1-4H3,(H,24,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	9.66E+3	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description To measure the direct binding of small molecules with CFTR, the interaction between small molecules and membrane fragments derived from HEK293 cells ...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM300428 (BDBM300430 | US10130622, Example 00007) Show SMILES CS(=O)(=O)NC(=O)c1cc(-c2ccc(nc2)N2CCC(CC2)C#N)c2c(nn(-c3ccccc3)c2n1)C1CCC1 Show InChI InChI=1S/C29H29N7O3S/c1-40(38,39)34-29(37)24-16-23(21-10-11-25(31-18-21)35-14-12-19(17-30)13-15-35)26-27(20-6-5-7-20)33-36(28(26)32-24)22-8-3-2-4-9-22/h2-4,8-11,16,18-20H,5-7,12-15H2,1H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	20.2	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description To measure the direct binding of small molecules with CFTR, the interaction between small molecules and membrane fragments derived from HEK293 cells ...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453078 (CHEMBL4215254) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(cc1)C1CCCCC1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C52H67N9O6/c1-30(2)45(57-51(64)66-5)49(62)59-26-10-14-43(59)47-53-37-22-18-34(28-39(37)55-47)41-24-25-42(61(41)36-20-16-33(17-21-36)32-12-8-7-9-13-32)35-19-23-38-40(29-35)56-48(54-38)44-15-11-27-60(44)50(63)46(31(3)4)58-52(65)67-6/h16-23,28-32,41-46H,7-15,24-27H2,1-6H3,(H,53,55)(H,54,56)(H,57,64)(H,58,65)/t41-,42-,43+,44+,45+,46+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00700	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 2b assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453100 (A-1325912.0 | ABT-530 | Pibrentasvir) Show SMILES CO[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1nc2cc([C@H]3CC[C@@H](N3c3cc(F)c(N4CCC(CC4)c4ccc(F)cc4)c(F)c3)c3cc4nc([nH]c4cc3F)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)c(F)cc2[nH]1 |r| Show InChI InChI=1S/C57H65F5N10O8/c1-29(77-3)49(67-56(75)79-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(2)78-4)68-57(76)80-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t29-,30-,45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00190	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 2b assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453101 (CHEMBL4208591) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(cc1)N1CCC(CC1)c1ccccc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H70N10O6/c1-34(2)50(62-56(70)72-5)54(68)65-28-10-14-48(65)52-58-42-22-16-38(32-44(42)60-52)46-24-25-47(67(46)41-20-18-40(19-21-41)64-30-26-37(27-31-64)36-12-8-7-9-13-36)39-17-23-43-45(33-39)61-53(59-43)49-15-11-29-66(49)55(69)51(35(3)4)63-57(71)73-6/h7-9,12-13,16-23,32-35,37,46-51H,10-11,14-15,24-31H2,1-6H3,(H,58,60)(H,59,61)(H,62,70)(H,63,71)/t46-,47-,48+,49+,50+,51+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.481	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 3a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453102 (CHEMBL4206465) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(cc1)N1CCOCC1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C50H64N10O7/c1-29(2)43(55-49(63)65-5)47(61)58-21-7-9-41(58)45-51-35-17-11-31(27-37(35)53-45)39-19-20-40(60(39)34-15-13-33(14-16-34)57-23-25-67-26-24-57)32-12-18-36-38(28-32)54-46(52-36)42-10-8-22-59(42)48(62)44(30(3)4)56-50(64)66-6/h11-18,27-30,39-44H,7-10,19-26H2,1-6H3,(H,51,53)(H,52,54)(H,55,63)(H,56,64)/t39-,40-,41+,42+,43+,44+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.316	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 4a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453103 (CHEMBL4218872) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H65F5N10O6/c1-29(2)49(67-56(75)77-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(3)4)68-57(76)78-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00100	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 5a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50453104 (CHEMBL3915742) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2cc(ccc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCCCC2)c(F)c1)c1ccc2[nH]c(nc2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C51H64F2N10O6/c1-28(2)43(58-50(66)68-5)48(64)61-22-10-12-41(61)46-54-35-16-14-30(24-37(35)56-46)39-18-19-40(63(39)32-26-33(52)45(34(53)27-32)60-20-8-7-9-21-60)31-15-17-36-38(25-31)57-47(55-36)42-13-11-23-62(42)49(65)44(29(3)4)59-51(67)69-6/h14-17,24-29,39-44H,7-13,18-23H2,1-6H3,(H,54,56)(H,55,57)(H,58,66)(H,59,67)/t39-,40-,41+,42+,43+,44+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.151	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decrease in viral replication after 3 days in presence of 40% human plasma b...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453105 (CHEMBL3960757) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(cc1)C(C)(C)C)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C50H65N9O6/c1-28(2)42(55-48(62)64-8)46(60)57-24-10-12-40(57)44-51-34-20-14-30(26-36(34)53-44)38-22-23-39(59(38)33-18-16-32(17-19-33)50(5,6)7)31-15-21-35-37(27-31)54-45(52-35)41-13-11-25-58(41)47(61)43(29(3)4)56-49(63)65-9/h14-21,26-29,38-43H,10-13,22-25H2,1-9H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t38-,39-,40+,41+,42+,43+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00600	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 4a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453105 (CHEMBL3960757) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(cc1)C(C)(C)C)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C50H65N9O6/c1-28(2)42(55-48(62)64-8)46(60)57-24-10-12-40(57)44-51-34-20-14-30(26-36(34)53-44)38-22-23-39(59(38)33-18-16-32(17-19-33)50(5,6)7)31-15-21-35-37(27-31)54-45(52-35)41-13-11-25-58(41)47(61)43(29(3)4)56-49(63)65-9/h14-21,26-29,38-43H,10-13,22-25H2,1-9H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t38-,39-,40+,41+,42+,43+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.152	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 2a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453106 (CHEMBL4215923) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccccc2)c(F)c1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H68F2N10O6/c1-32(2)49(64-56(72)74-5)54(70)67-24-10-14-47(67)52-60-41-18-16-36(28-43(41)62-52)45-20-21-46(69(45)38-30-39(58)51(40(59)31-38)66-26-22-35(23-27-66)34-12-8-7-9-13-34)37-17-19-42-44(29-37)63-53(61-42)48-15-11-25-68(48)55(71)50(33(3)4)65-57(73)75-6/h7-9,12-13,16-19,28-33,35,45-50H,10-11,14-15,20-27H2,1-6H3,(H,60,62)(H,61,63)(H,64,72)(H,65,73)/t45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.183	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma ...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453107 (CHEMBL4215241) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(Cl)cc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H56ClN9O6/c1-25(2)39(52-45(59)61-5)43(57)54-21-7-9-37(54)41-48-31-17-11-27(23-33(31)50-41)35-19-20-36(56(35)30-15-13-29(47)14-16-30)28-12-18-32-34(24-28)51-42(49-32)38-10-8-22-55(38)44(58)40(26(3)4)53-46(60)62-6/h11-18,23-26,35-40H,7-10,19-22H2,1-6H3,(H,48,50)(H,49,51)(H,52,59)(H,53,60)/t35-,36-,37+,38+,39+,40+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.330	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma ...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50453108 (CHEMBL4202479) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(cc1)-c1ccccc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C52H61N9O6/c1-30(2)45(57-51(64)66-5)49(62)59-26-10-14-43(59)47-53-37-22-18-34(28-39(37)55-47)41-24-25-42(61(41)36-20-16-33(17-21-36)32-12-8-7-9-13-32)35-19-23-38-40(29-35)56-48(54-38)44-15-11-27-60(44)50(63)46(31(3)4)58-52(65)67-6/h7-9,12-13,16-23,28-31,41-46H,10-11,14-15,24-27H2,1-6H3,(H,53,55)(H,54,56)(H,57,64)(H,58,65)/t41-,42-,43+,44+,45+,46+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0750	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decrease in viral replication after 3 days in presence of 40% human plasma b...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453109 (CHEMBL4205352) Show SMILES CO[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccccc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C57H66F4N10O8/c1-30(76-3)49(66-56(74)78-5)54(72)69-20-10-14-47(69)52-62-41-26-35(37(58)28-43(41)64-52)45-16-17-46(71(45)34-24-39(60)51(40(61)25-34)68-22-18-33(19-23-68)32-12-8-7-9-13-32)36-27-42-44(29-38(36)59)65-53(63-42)48-15-11-21-70(48)55(73)50(31(2)77-4)67-57(75)79-6/h7-9,12-13,24-31,33,45-50H,10-11,14-23H2,1-6H3,(H,62,64)(H,63,65)(H,66,74)(H,67,75)/t30-,31-,45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00300	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days by luciferase reporter gene assa...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453107 (CHEMBL4215241) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(Cl)cc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H56ClN9O6/c1-25(2)39(52-45(59)61-5)43(57)54-21-7-9-37(54)41-48-31-17-11-27(23-33(31)50-41)35-19-20-36(56(35)30-15-13-29(47)14-16-30)28-12-18-32-34(24-28)51-42(49-32)38-10-8-22-55(38)44(58)40(26(3)4)53-46(60)62-6/h11-18,23-26,35-40H,7-10,19-22H2,1-6H3,(H,48,50)(H,49,51)(H,52,59)(H,53,60)/t35-,36-,37+,38+,39+,40+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00700	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days by luciferase reporter gene assa...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50453110 (CHEMBL3127327) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@H]1CC[C@@H](N1c1ccc(cc1)C(C)(C)C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)cc1 |r| Show InChI InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40+,41+,42+,43+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.136	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decrease in viral replication after 3 days by luciferase reporter gene assay				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453111 (CHEMBL4208073) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(N2CCCCC2)c(F)c1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C51H65FN10O6/c1-29(2)44(57-50(65)67-5)48(63)60-24-10-12-42(60)46-53-35-17-14-31(26-37(35)55-46)39-20-21-40(62(39)33-16-19-41(34(52)28-33)59-22-8-7-9-23-59)32-15-18-36-38(27-32)56-47(54-36)43-13-11-25-61(43)49(64)45(30(3)4)58-51(66)68-6/h14-19,26-30,39-40,42-45H,7-13,20-25H2,1-6H3,(H,53,55)(H,54,56)(H,57,65)(H,58,66)/t39-,40-,42+,43+,44+,45+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0480	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 2a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453112 (ABT-267 | CHEBI:85183 | Ombitasvir) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)cc1 |r| Show InChI InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00430	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 2b assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453113 (CHEMBL4210254) Show SMILES COC(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccccc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C1CCOCC1 |r| Show InChI InChI=1S/C61H70F4N10O8/c1-80-60(78)70-53(36-16-24-82-25-17-36)58(76)73-20-6-10-51(73)56-66-45-30-39(41(62)32-47(45)68-56)49-12-13-50(75(49)38-28-43(64)55(44(65)29-38)72-22-14-35(15-23-72)34-8-4-3-5-9-34)40-31-46-48(33-42(40)63)69-57(67-46)52-11-7-21-74(52)59(77)54(71-61(79)81-2)37-18-26-83-27-19-37/h3-5,8-9,28-33,35-37,49-54H,6-7,10-27H2,1-2H3,(H,66,68)(H,67,69)(H,70,78)(H,71,79)/t49-,50-,51+,52+,53+,54+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0110	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 3a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453114 (CHEMBL4211348) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(OC(F)(F)F)cc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C47H56F3N9O7/c1-25(2)39(55-45(62)64-5)43(60)57-21-7-9-37(57)41-51-31-17-11-27(23-33(31)53-41)35-19-20-36(59(35)29-13-15-30(16-14-29)66-47(48,49)50)28-12-18-32-34(24-28)54-42(52-32)38-10-8-22-58(38)44(61)40(26(3)4)56-46(63)65-6/h11-18,23-26,35-40H,7-10,19-22H2,1-6H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t35-,36-,37+,38+,39+,40+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0130	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 4a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453113 (CHEMBL4210254) Show SMILES COC(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccccc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C1CCOCC1 |r| Show InChI InChI=1S/C61H70F4N10O8/c1-80-60(78)70-53(36-16-24-82-25-17-36)58(76)73-20-6-10-51(73)56-66-45-30-39(41(62)32-47(45)68-56)49-12-13-50(75(49)38-28-43(64)55(44(65)29-38)72-22-14-35(15-23-72)34-8-4-3-5-9-34)40-31-46-48(33-42(40)63)69-57(67-46)52-11-7-21-74(52)59(77)54(71-61(79)81-2)37-18-26-83-27-19-37/h3-5,8-9,28-33,35-37,49-54H,6-7,10-27H2,1-2H3,(H,66,68)(H,67,69)(H,70,78)(H,71,79)/t49-,50-,51+,52+,53+,54+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00600	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 5a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453115 (CHEMBL4203712) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(Cl)c(N2CCCCC2)c(Cl)c1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C51H64Cl2N10O6/c1-28(2)43(58-50(66)68-5)48(64)61-22-10-12-41(61)46-54-35-16-14-30(24-37(35)56-46)39-18-19-40(63(39)32-26-33(52)45(34(53)27-32)60-20-8-7-9-21-60)31-15-17-36-38(25-31)57-47(55-36)42-13-11-23-62(42)49(65)44(29(3)4)59-51(67)69-6/h14-17,24-29,39-44H,7-13,18-23H2,1-6H3,(H,54,56)(H,55,57)(H,58,66)(H,59,67)/t39-,40-,41+,42+,43+,44+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0100	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 6a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453109 (CHEMBL4205352) Show SMILES CO[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccccc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C57H66F4N10O8/c1-30(76-3)49(66-56(74)78-5)54(72)69-20-10-14-47(69)52-62-41-26-35(37(58)28-43(41)64-52)45-16-17-46(71(45)34-24-39(60)51(40(61)25-34)68-22-18-33(19-23-68)32-12-8-7-9-13-32)36-27-42-44(29-38(36)59)65-53(63-42)48-15-11-21-70(48)55(73)50(31(2)77-4)67-57(75)79-6/h7-9,12-13,24-31,33,45-50H,10-11,14-23H2,1-6H3,(H,62,64)(H,63,65)(H,66,74)(H,67,75)/t30-,31-,45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00400	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 6a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453116 (CHEMBL4215187) Show SMILES COC(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C1CCOCC1 |r| Show InChI InChI=1S/C61H69F5N10O8/c1-81-60(79)71-53(35-15-23-83-24-16-35)58(77)74-19-3-5-51(74)56-67-45-29-39(41(63)31-47(45)69-56)49-11-12-50(76(49)38-27-43(65)55(44(66)28-38)73-21-13-34(14-22-73)33-7-9-37(62)10-8-33)40-30-46-48(32-42(40)64)70-57(68-46)52-6-4-20-75(52)59(78)54(72-61(80)82-2)36-17-25-84-26-18-36/h7-10,27-32,34-36,49-54H,3-6,11-26H2,1-2H3,(H,67,69)(H,68,70)(H,71,79)(H,72,80)/t49-,50-,51+,52+,53+,54+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00500	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 5a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453117 (CHEMBL4211486) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccccc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H66F4N10O6/c1-30(2)49(66-56(74)76-5)54(72)69-20-10-14-47(69)52-62-41-26-35(37(58)28-43(41)64-52)45-16-17-46(71(45)34-24-39(60)51(40(61)25-34)68-22-18-33(19-23-68)32-12-8-7-9-13-32)36-27-42-44(29-38(36)59)65-53(63-42)48-15-11-21-70(48)55(73)50(31(3)4)67-57(75)77-6/h7-9,12-13,24-31,33,45-50H,10-11,14-23H2,1-6H3,(H,62,64)(H,63,65)(H,66,74)(H,67,75)/t45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00900	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 6a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453112 (ABT-267 | CHEBI:85183 | Ombitasvir) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)cc1 |r| Show InChI InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0120	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of HCV genotype 1b Con1 NS5A expressed in HuH7 cell infected HCV genotype 2a assessed as decrease in viral replication after 3 days by luc...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453116 (CHEMBL4215187) Show SMILES COC(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C1CCOCC1 |r| Show InChI InChI=1S/C61H69F5N10O8/c1-81-60(79)71-53(35-15-23-83-24-16-35)58(77)74-19-3-5-51(74)56-67-45-29-39(41(63)31-47(45)69-56)49-11-12-50(76(49)38-27-43(65)55(44(66)28-38)73-21-13-34(14-22-73)33-7-9-37(62)10-8-33)40-30-46-48(32-42(40)64)70-57(68-46)52-6-4-20-75(52)59(78)54(72-61(80)82-2)36-17-25-84-26-18-36/h7-10,27-32,34-36,49-54H,3-6,11-26H2,1-2H3,(H,67,69)(H,68,70)(H,71,79)(H,72,80)/t49-,50-,51+,52+,53+,54+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.522	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma ...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453109 (CHEMBL4205352) Show SMILES CO[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccccc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C57H66F4N10O8/c1-30(76-3)49(66-56(74)78-5)54(72)69-20-10-14-47(69)52-62-41-26-35(37(58)28-43(41)64-52)45-16-17-46(71(45)34-24-39(60)51(40(61)25-34)68-22-18-33(19-23-68)32-12-8-7-9-13-32)36-27-42-44(29-38(36)59)65-53(63-42)48-15-11-21-70(48)55(73)50(31(2)77-4)67-57(75)79-6/h7-9,12-13,24-31,33,45-50H,10-11,14-23H2,1-6H3,(H,62,64)(H,63,65)(H,66,74)(H,67,75)/t30-,31-,45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.138	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma ...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453113 (CHEMBL4210254) Show SMILES COC(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccccc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C1CCOCC1 |r| Show InChI InChI=1S/C61H70F4N10O8/c1-80-60(78)70-53(36-16-24-82-25-17-36)58(76)73-20-6-10-51(73)56-66-45-30-39(41(62)32-47(45)68-56)49-12-13-50(75(49)38-28-43(64)55(44(65)29-38)72-22-14-35(15-23-72)34-8-4-3-5-9-34)40-31-46-48(33-42(40)63)69-57(67-46)52-11-7-21-74(52)59(77)54(71-61(79)81-2)37-18-26-83-27-19-37/h3-5,8-9,28-33,35-37,49-54H,6-7,10-27H2,1-2H3,(H,66,68)(H,67,69)(H,70,78)(H,71,79)/t49-,50-,51+,52+,53+,54+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.337	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma ...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453118 (CHEMBL4204257) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H67F3N10O6/c1-31(2)49(65-56(73)75-5)54(71)68-23-7-9-47(68)52-61-41-17-13-35(27-43(41)63-52)45-19-20-46(70(45)38-29-39(59)51(40(60)30-38)67-25-21-34(22-26-67)33-11-15-37(58)16-12-33)36-14-18-42-44(28-36)64-53(62-42)48-10-8-24-69(48)55(72)50(32(3)4)66-57(74)76-6/h11-18,27-32,34,45-50H,7-10,19-26H2,1-6H3,(H,61,63)(H,62,64)(H,65,73)(H,66,74)/t45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.126	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma ...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453101 (CHEMBL4208591) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(cc1)N1CCC(CC1)c1ccccc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H70N10O6/c1-34(2)50(62-56(70)72-5)54(68)65-28-10-14-48(65)52-58-42-22-16-38(32-44(42)60-52)46-24-25-47(67(46)41-20-18-40(19-21-41)64-30-26-37(27-31-64)36-12-8-7-9-13-36)39-17-23-43-45(33-39)61-53(59-43)49-15-11-29-66(49)55(69)51(35(3)4)63-57(71)73-6/h7-9,12-13,16-23,32-35,37,46-51H,10-11,14-15,24-31H2,1-6H3,(H,58,60)(H,59,61)(H,62,70)(H,63,71)/t46-,47-,48+,49+,50+,51+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.51	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma ...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453115 (CHEMBL4203712) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(Cl)c(N2CCCCC2)c(Cl)c1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C51H64Cl2N10O6/c1-28(2)43(58-50(66)68-5)48(64)61-22-10-12-41(61)46-54-35-16-14-30(24-37(35)56-46)39-18-19-40(63(39)32-26-33(52)45(34(53)27-32)60-20-8-7-9-21-60)31-15-17-36-38(25-31)57-47(55-36)42-13-11-23-62(42)49(65)44(29(3)4)59-51(67)69-6/h14-17,24-29,39-44H,7-13,18-23H2,1-6H3,(H,54,56)(H,55,57)(H,58,66)(H,59,67)/t39-,40-,41+,42+,43+,44+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.132	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma ...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453114 (CHEMBL4211348) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(OC(F)(F)F)cc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C47H56F3N9O7/c1-25(2)39(55-45(62)64-5)43(60)57-21-7-9-37(57)41-51-31-17-11-27(23-33(31)53-41)35-19-20-36(59(35)29-13-15-30(16-14-29)66-47(48,49)50)28-12-18-32-34(24-28)54-42(52-32)38-10-8-22-58(38)44(61)40(26(3)4)56-46(63)65-6/h11-18,23-26,35-40H,7-10,19-22H2,1-6H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t35-,36-,37+,38+,39+,40+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.230	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma ...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453119 (CHEMBL4203054) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(Oc2ccccc2)cc1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C52H61N9O7/c1-30(2)45(57-51(64)66-5)49(62)59-26-10-14-43(59)47-53-37-22-16-32(28-39(37)55-47)41-24-25-42(61(41)34-18-20-36(21-19-34)68-35-12-8-7-9-13-35)33-17-23-38-40(29-33)56-48(54-38)44-15-11-27-60(44)50(63)46(31(3)4)58-52(65)67-6/h7-9,12-13,16-23,28-31,41-46H,10-11,14-15,24-27H2,1-6H3,(H,53,55)(H,54,56)(H,57,64)(H,58,65)/t41-,42-,43+,44+,45+,46+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.279	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma ...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453120 (CHEMBL4203574) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(cc1)C1CC1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C49H61N9O6/c1-27(2)42(54-48(61)63-5)46(59)56-23-7-9-40(56)44-50-34-19-15-31(25-36(34)52-44)38-21-22-39(58(38)33-17-13-30(14-18-33)29-11-12-29)32-16-20-35-37(26-32)53-45(51-35)41-10-8-24-57(41)47(60)43(28(3)4)55-49(62)64-6/h13-20,25-29,38-43H,7-12,21-24H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t38-,39-,40+,41+,42+,43+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.354	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma ...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453105 (CHEMBL3960757) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1ccc(cc1)C(C)(C)C)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C50H65N9O6/c1-28(2)42(55-48(62)64-8)46(60)57-24-10-12-40(57)44-51-34-20-14-30(26-36(34)53-44)38-22-23-39(59(38)33-18-16-32(17-19-33)50(5,6)7)31-15-21-35-37(27-31)54-45(52-35)41-13-11-25-58(41)47(61)43(29(3)4)56-49(63)65-9/h14-21,26-29,38-43H,10-13,22-25H2,1-9H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t38-,39-,40+,41+,42+,43+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.268	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma ...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453121 (CHEMBL4215679) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C50H65N9O6/c1-28(2)42(55-48(62)64-8)46(60)57-24-10-12-40(57)44-51-34-20-14-30(26-36(34)53-44)38-22-23-39(59(38)33-18-16-32(17-19-33)50(5,6)7)31-15-21-35-37(27-31)54-45(52-35)41-13-11-25-58(41)47(61)43(29(3)4)56-49(63)65-9/h14-21,26-29,38-43H,10-13,22-25H2,1-9H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t38-,39-,40-,41-,42-,43-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.354	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma ...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50453112 (ABT-267 | CHEBI:85183 | Ombitasvir) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@@H]1CC[C@H](N1c1ccc(cc1)C(C)(C)C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)cc1 |r| Show InChI InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0560	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1b Con1 assessed as decrease in viral replication after 3 days in presence of 40% human plasma ...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50453100 (A-1325912.0 | ABT-530 | Pibrentasvir) Show SMILES CO[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1nc2cc([C@H]3CC[C@@H](N3c3cc(F)c(N4CCC(CC4)c4ccc(F)cc4)c(F)c3)c3cc4nc([nH]c4cc3F)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)c(F)cc2[nH]1 |r| Show InChI InChI=1S/C57H65F5N10O8/c1-29(77-3)49(67-56(75)79-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(2)78-4)68-57(76)80-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t29-,30-,45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0640	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decrease in viral replication after 3 days in presence of 40% human plasma b...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50453116 (CHEMBL4215187) Show SMILES COC(=O)N[C@@H](C1CCOCC1)C(=O)N1CCC[C@H]1c1nc2cc(F)c(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1cc2[nH]c(nc2cc1F)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C1CCOCC1 |r| Show InChI InChI=1S/C61H69F5N10O8/c1-81-60(79)71-53(35-15-23-83-24-16-35)58(77)74-19-3-5-51(74)56-67-45-29-39(41(63)31-47(45)69-56)49-11-12-50(76(49)38-27-43(65)55(44(66)28-38)73-21-13-34(14-22-73)33-7-9-37(62)10-8-33)40-30-46-48(32-42(40)64)70-57(68-46)52-6-4-20-75(52)59(78)54(72-61(80)82-2)36-17-25-84-26-18-36/h7-10,27-32,34-36,49-54H,3-6,11-26H2,1-2H3,(H,67,69)(H,68,70)(H,71,79)(H,72,80)/t49-,50-,51+,52+,53+,54+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.220	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decrease in viral replication after 3 days in presence of 40% human plasma b...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50453118 (CHEMBL4204257) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc2ccc(cc2[nH]1)[C@H]1CC[C@@H](N1c1cc(F)c(N2CCC(CC2)c2ccc(F)cc2)c(F)c1)c1ccc2nc([nH]c2c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C57H67F3N10O6/c1-31(2)49(65-56(73)75-5)54(71)68-23-7-9-47(68)52-61-41-17-13-35(27-43(41)63-52)45-19-20-46(70(45)38-29-39(59)51(40(60)30-38)67-25-21-34(22-26-67)33-11-15-37(58)16-12-33)36-14-18-42-44(28-36)64-53(62-42)48-10-8-24-69(48)55(72)50(32(3)4)66-57(74)76-6/h11-18,27-32,34,45-50H,7-10,19-26H2,1-6H3,(H,61,63)(H,62,64)(H,65,73)(H,66,74)/t45-,46-,47+,48+,49+,50+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0780	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of NS5A in HuH7 cell infected HCV genotype 1a H77 assessed as decrease in viral replication after 3 days in presence of 40% human plasma b...				J Med Chem 61: 4052-4066 (2018) Article DOI: 10.1021/acs.jmedchem.8b00082 BindingDB Entry DOI: 10.7270/Q269764H
					More data for this Ligand-Target Pair

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