Compile Data Set for Download or QSAR

Found 587 hits with Last Name = 'das' and Initial = 'ak'   

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
Low molecular weight protein-tyrosine phosphatase A (Mycobacterium tuberculosis)	BDBM50331863 (6-(4-Hydroxy-benzyl)-9-(phenyl-phenylamino-methyl)...) Show SMILES Oc1ccc(C[C@@H]2NC(=O)[C@H](CNC(=O)CNC2=O)[C@@H](Nc2ccccc2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H28N4O4/c32-21-13-11-18(12-14-21)15-23-27(35)29-17-24(33)28-16-22(26(34)31-23)25(19-7-3-1-4-8-19)30-20-9-5-2-6-10-20/h1-14,22-23,25,30,32H,15-17H2,(H,28,33)(H,29,35)(H,31,34)/t22-,23+,25+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatase A by Lineweaver-Burk plot analysis				Bioorg Med Chem 18: 8365-73 (2010) Article DOI: 10.1016/j.bmc.2010.09.052 BindingDB Entry DOI: 10.7270/Q28S4Q5G
					More data for this Ligand-Target Pair
Membrane-bound transcription factor site-1 protease (Homo sapiens (Human))	BDBM50378789 (CHEMBL1170117) Show SMILES O=C(COc1ccccc1\N=N\c1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C48H44N4O8/c53-45(49-41(29-35-17-5-1-6-18-35)47(55)59-31-37-21-9-3-10-22-37)33-57-43-27-15-13-25-39(43)51-52-40-26-14-16-28-44(40)58-34-46(54)50-42(30-36-19-7-2-8-20-36)48(56)60-32-38-23-11-4-12-24-38/h1-28,41-42H,29-34H2,(H,49,53)(H,50,54)/b52-51+/t41-,42-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant solubule Kexin isozyme 1				Bioorg Med Chem Lett 20: 3977-81 (2010) Article DOI: 10.1016/j.bmcl.2010.04.101 BindingDB Entry DOI: 10.7270/Q2G44R73
					More data for this Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A (Mycobacterium tuberculosis)	BDBM50345500 (6-oxo-1,2,9,10-tetradehydro-3,4,5,6-tetrahydro-5-b...) Show SMILES OC(=O)C1=C/C#Cc2ccccc2C#CCCNC\1=O |t:3| Show InChI InChI=1S/C16H11NO3/c18-15-14(16(19)20)10-5-9-13-7-2-1-6-12(13)8-3-4-11-17-15/h1-2,6-7,10H,4,11H2,(H,17,18)(H,19,20)/b14-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
India Institute of Technology Curated by ChEMBL					Assay Description Non-competitive inhibition of Mycobacterium tuberculosis PTPA using p-nitrophenyl phosphate as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 19: 3274-9 (2011) Article DOI: 10.1016/j.bmc.2011.03.024 BindingDB Entry DOI: 10.7270/Q2XP759N
					More data for this Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A (Mycobacterium tuberculosis)	BDBM50331859 (4,9-Dioxo-3-(phenyl-phenylamino-methyl)-[1,5]diazo...) Show SMILES OC(=O)[C@H]1CCC(=O)NC[C@H]([C@@H](Nc2ccccc2)c2ccccc2)C(=O)N1 |r| Show InChI InChI=1S/C21H23N3O4/c25-18-12-11-17(21(27)28)24-20(26)16(13-22-18)19(14-7-3-1-4-8-14)23-15-9-5-2-6-10-15/h1-10,16-17,19,23H,11-13H2,(H,22,25)(H,24,26)(H,27,28)/t16-,17-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatase A by Lineweaver-Burk plot analysis				Bioorg Med Chem 18: 8365-73 (2010) Article DOI: 10.1016/j.bmc.2010.09.052 BindingDB Entry DOI: 10.7270/Q28S4Q5G
					More data for this Ligand-Target Pair
Membrane-bound transcription factor site-1 protease (Homo sapiens (Human))	BDBM50378790 (CHEMBL1171759) Show SMILES CC(C)[C@H](NC(=O)COc1ccccc1\N=N\c1ccccc1OCC(=O)N[C@@H](C(C)C)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C26H32N4O8/c1-15(2)23(25(33)34)27-21(31)13-37-19-11-7-5-9-17(19)29-30-18-10-6-8-12-20(18)38-14-22(32)28-24(16(3)4)26(35)36/h5-12,15-16,23-24H,13-14H2,1-4H3,(H,27,31)(H,28,32)(H,33,34)(H,35,36)/b30-29+/t23-,24-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant solubule Kexin isozyme 1				Bioorg Med Chem Lett 20: 3977-81 (2010) Article DOI: 10.1016/j.bmcl.2010.04.101 BindingDB Entry DOI: 10.7270/Q2G44R73
					More data for this Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A (Mycobacterium tuberculosis)	BDBM50331860 (9-(Phenyl-phenylamino-methyl)-[1,4,7]triazecane-2,...) Show SMILES O=C1CNC(=O)CNC(=O)[C@H](CN1)[C@@H](Nc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C20H22N4O3/c25-17-12-22-18(26)13-23-20(27)16(11-21-17)19(14-7-3-1-4-8-14)24-15-9-5-2-6-10-15/h1-10,16,19,24H,11-13H2,(H,21,25)(H,22,26)(H,23,27)/t16-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatase A by Lineweaver-Burk plot analysis				Bioorg Med Chem 18: 8365-73 (2010) Article DOI: 10.1016/j.bmc.2010.09.052 BindingDB Entry DOI: 10.7270/Q28S4Q5G
					More data for this Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A (Mycobacterium tuberculosis)	BDBM50345501 (CHEMBL1784317 | rac-6-oxo-1,2,3,4,5,6,7,8,9,10-dec...) Show SMILES OC(=O)C1CCCc2ccccc2CCCCNC1=O Show InChI InChI=1S/C16H21NO3/c18-15-14(16(19)20)10-5-9-13-7-2-1-6-12(13)8-3-4-11-17-15/h1-2,6-7,14H,3-5,8-11H2,(H,17,18)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.01E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
India Institute of Technology Curated by ChEMBL					Assay Description Non-competitive inhibition of Mycobacterium tuberculosis PTPA using p-nitrophenyl phosphate as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 19: 3274-9 (2011) Article DOI: 10.1016/j.bmc.2011.03.024 BindingDB Entry DOI: 10.7270/Q2XP759N
					More data for this Ligand-Target Pair
Membrane-bound transcription factor site-1 protease (Homo sapiens (Human))	BDBM50378788 (CHEMBL1170116) Show SMILES CC(C)[C@H](NC(=O)COc1ccccc1\N=N\c1ccccc1OCC(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C40H44N4O8/c1-27(2)37(39(47)51-23-29-15-7-5-8-16-29)41-35(45)25-49-33-21-13-11-19-31(33)43-44-32-20-12-14-22-34(32)50-26-36(46)42-38(28(3)4)40(48)52-24-30-17-9-6-10-18-30/h5-22,27-28,37-38H,23-26H2,1-4H3,(H,41,45)(H,42,46)/b44-43+/t37-,38-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant solubule Kexin isozyme 1				Bioorg Med Chem Lett 20: 3977-81 (2010) Article DOI: 10.1016/j.bmcl.2010.04.101 BindingDB Entry DOI: 10.7270/Q2G44R73
					More data for this Ligand-Target Pair
Membrane-bound transcription factor site-1 protease (Homo sapiens (Human))	BDBM50378793 (CHEMBL1170298) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1\N=N\c1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C52H50N6O10/c59-47(53-41(29-35-17-5-1-6-18-35)49(61)55-43(51(63)64)31-37-21-9-3-10-22-37)33-67-45-27-15-13-25-39(45)57-58-40-26-14-16-28-46(40)68-34-48(60)54-42(30-36-19-7-2-8-20-36)50(62)56-44(52(65)66)32-38-23-11-4-12-24-38/h1-28,41-44H,29-34H2,(H,53,59)(H,54,60)(H,55,61)(H,56,62)(H,63,64)(H,65,66)/b58-57+/t41-,42-,43-,44-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant solubule Kexin isozyme 1				Bioorg Med Chem Lett 20: 3977-81 (2010) Article DOI: 10.1016/j.bmcl.2010.04.101 BindingDB Entry DOI: 10.7270/Q2G44R73
					More data for this Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A (Mycobacterium tuberculosis)	BDBM50331858 (6-(Phenyl-phenylamino-methyl)-[1,4]diazepane-2,5-d...) Show SMILES O=C1CNC(=O)[C@H](CN1)[C@@H](Nc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C18H19N3O2/c22-16-12-20-18(23)15(11-19-16)17(13-7-3-1-4-8-13)21-14-9-5-2-6-10-14/h1-10,15,17,21H,11-12H2,(H,19,22)(H,20,23)/t15-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatase A by Lineweaver-Burk plot analysis				Bioorg Med Chem 18: 8365-73 (2010) Article DOI: 10.1016/j.bmc.2010.09.052 BindingDB Entry DOI: 10.7270/Q28S4Q5G
					More data for this Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A (Mycobacterium tuberculosis)	BDBM50331864 (3,6,9-Trimethyl-12-(phenyl-phenylamino-methyl)-1,4...) Show SMILES C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CNC1=O)[C@@H](Nc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H31N5O4/c1-15-22(31)26-14-20(25(34)29-17(3)24(33)28-16(2)23(32)27-15)21(18-10-6-4-7-11-18)30-19-12-8-5-9-13-19/h4-13,15-17,20-21,30H,14H2,1-3H3,(H,26,31)(H,27,32)(H,28,33)(H,29,34)/t15-,16-,17-,20+,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.99E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatase A by Lineweaver-Burk plot analysis				Bioorg Med Chem 18: 8365-73 (2010) Article DOI: 10.1016/j.bmc.2010.09.052 BindingDB Entry DOI: 10.7270/Q28S4Q5G
					More data for this Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A (Mycobacterium tuberculosis)	BDBM50331861 (9-(Furan-2-yl-phenylamino-methyl)-[1,4,7]triazecan...) Show SMILES O=C1CNC(=O)CNC(=O)[C@H](CN1)[C@@H](Nc1ccccc1)c1ccco1 |r| Show InChI InChI=1S/C18H20N4O4/c23-15-10-20-16(24)11-21-18(25)13(9-19-15)17(14-7-4-8-26-14)22-12-5-2-1-3-6-12/h1-8,13,17,22H,9-11H2,(H,19,23)(H,20,24)(H,21,25)/t13-,17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.15E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatase A by Lineweaver-Burk plot analysis				Bioorg Med Chem 18: 8365-73 (2010) Article DOI: 10.1016/j.bmc.2010.09.052 BindingDB Entry DOI: 10.7270/Q28S4Q5G
					More data for this Ligand-Target Pair
Low molecular weight protein-tyrosine phosphatase A (Mycobacterium tuberculosis)	BDBM50331862 (3,6-Dimethyl-9-(phenyl-phenylamino-methyl)-[1,4,7]...) Show SMILES C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CNC1=O)[C@@H](Nc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C22H26N4O3/c1-14-20(27)23-13-18(22(29)25-15(2)21(28)24-14)19(16-9-5-3-6-10-16)26-17-11-7-4-8-12-17/h3-12,14-15,18-19,26H,13H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t14-,15-,18+,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatase A by Lineweaver-Burk plot analysis				Bioorg Med Chem 18: 8365-73 (2010) Article DOI: 10.1016/j.bmc.2010.09.052 BindingDB Entry DOI: 10.7270/Q28S4Q5G
					More data for this Ligand-Target Pair
Membrane-bound transcription factor site-1 protease (Homo sapiens (Human))	BDBM50378791 (CHEMBL1170119) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1\N=N\c1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C34H32N4O8/c39-31(35-27(33(41)42)19-23-11-3-1-4-12-23)21-45-29-17-9-7-15-25(29)37-38-26-16-8-10-18-30(26)46-22-32(40)36-28(34(43)44)20-24-13-5-2-6-14-24/h1-18,27-28H,19-22H2,(H,35,39)(H,36,40)(H,41,42)(H,43,44)/b38-37+/t27-,28-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.25E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant solubule Kexin isozyme 1				Bioorg Med Chem Lett 20: 3977-81 (2010) Article DOI: 10.1016/j.bmcl.2010.04.101 BindingDB Entry DOI: 10.7270/Q2G44R73
					More data for this Ligand-Target Pair
Membrane-bound transcription factor site-1 protease (Homo sapiens (Human))	BDBM50378792 (CHEMBL1170606) Show SMILES OC(=O)CNC(=O)COc1ccccc1\N=N\c1ccccc1OCC(=O)NCC(O)=O Show InChI InChI=1S/C20H20N4O8/c25-17(21-9-19(27)28)11-31-15-7-3-1-5-13(15)23-24-14-6-2-4-8-16(14)32-12-18(26)22-10-20(29)30/h1-8H,9-12H2,(H,21,25)(H,22,26)(H,27,28)(H,29,30)/b24-23+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.65E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant solubule Kexin isozyme 1				Bioorg Med Chem Lett 20: 3977-81 (2010) Article DOI: 10.1016/j.bmcl.2010.04.101 BindingDB Entry DOI: 10.7270/Q2G44R73
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505975 (CHEMBL4473049) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2ccc3cc(ccc3c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H48N8O6S/c1-21(2)32(45-39(51)53-5)37(49)47-15-7-9-29(47)35-41-19-27(43-35)24-13-14-26-23(17-24)11-12-25-18-31(55-34(25)26)28-20-42-36(44-28)30-10-8-16-48(30)38(50)33(22(3)4)46-40(52)54-6/h11-14,17-22,29-30,32-33H,7-10,15-16H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t29-,30-,32-,33-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00300	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 4a infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505981 (CHEMBL4535441) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(Cl)c([nH]1)-c1ccc-2c(OCC(C)(C)COc3cc(ccc-23)-c2[nH]c(nc2Cl)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c1 |r| Show InChI InChI=1S/C45H56Cl2N8O8/c1-23(2)33(50-43(58)60-7)41(56)54-17-9-11-29(54)39-48-35(37(46)52-39)25-13-15-27-28-16-14-26(20-32(28)63-22-45(5,6)21-62-31(27)19-25)36-38(47)53-40(49-36)30-12-10-18-55(30)42(57)34(24(3)4)51-44(59)61-8/h13-16,19-20,23-24,29-30,33-34H,9-12,17-18,21-22H2,1-8H3,(H,48,52)(H,49,53)(H,50,58)(H,51,59)/t29-,30-,33-,34-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00400	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505975 (CHEMBL4473049) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2ccc3cc(ccc3c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H48N8O6S/c1-21(2)32(45-39(51)53-5)37(49)47-15-7-9-29(47)35-41-19-27(43-35)24-13-14-26-23(17-24)11-12-25-18-31(55-34(25)26)28-20-42-36(44-28)30-10-8-16-48(30)38(50)33(22(3)4)46-40(52)54-6/h11-14,17-22,29-30,32-33H,7-10,15-16H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t29-,30-,32-,33-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a infected in human Huh7.5/J6/JFH1/EMCVIRES/hRlucNeo cells assessed as inhibition of replicon levels incubated fo...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505978 (CHEMBL4437522) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(Cl)c([nH]1)-c1cc2CCOc3cc(ccc3-c2s1)-c1[nH]c(nc1Cl)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H48Cl2N8O7S/c1-19(2)28(45-39(53)55-5)37(51)49-14-7-9-24(49)35-43-30(33(41)47-35)21-11-12-23-26(17-21)57-16-13-22-18-27(58-32(22)23)31-34(42)48-36(44-31)25-10-8-15-50(25)38(52)29(20(3)4)46-40(54)56-6/h11-12,17-20,24-25,28-29H,7-10,13-16H2,1-6H3,(H,43,47)(H,44,48)(H,45,53)(H,46,54)/t24-,25-,28-,29-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505965 (CHEMBL4574210) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2COc3cc(ccc3-c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C39H48N8O7S/c1-20(2)31(44-38(50)52-5)36(48)46-13-7-9-27(46)34-40-17-25(42-34)22-11-12-24-29(15-22)54-19-23-16-30(55-33(23)24)26-18-41-35(43-26)28-10-8-14-47(28)37(49)32(21(3)4)45-39(51)53-6/h11-12,15-18,20-21,27-28,31-32H,7-10,13-14,19H2,1-6H3,(H,40,42)(H,41,43)(H,44,50)(H,45,51)/t27-,28-,31-,32-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 4a infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505984 (CHEMBL4439465) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(CCc3cc(ccc-23)-c2cnc([nH]2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c1 |r| Show InChI InChI=1S/C42H52N8O6/c1-23(2)35(47-41(53)55-5)39(51)49-17-7-9-33(49)37-43-21-31(45-37)27-13-15-29-25(19-27)11-12-26-20-28(14-16-30(26)29)32-22-44-38(46-32)34-10-8-18-50(34)40(52)36(24(3)4)48-42(54)56-6/h13-16,19-24,33-36H,7-12,17-18H2,1-6H3,(H,43,45)(H,44,46)(H,47,53)(H,48,54)/t33-,34-,35-,36-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a infected in human Huh7.5/J6/JFH1/EMCVIRES/hRlucNeo cells assessed as inhibition of replicon levels incubated fo...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50387084 (BMS-790052 | DACLATASVIR) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00900	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a infected in human Huh7.5/J6/JFH1/EMCVIRES/hRlucNeo cells assessed as inhibition of replicon levels incubated fo...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505963 (CHEMBL4465993) Show SMILES [H][C@@]12CC[C@@]([H])(C1)N([C@@H]2c1ncc([nH]1)-c1cc2ccc3cc(ccc3c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C42H50N8O6S/c1-21(2)33(47-41(53)55-5)39(51)49-15-7-8-31(49)37-43-19-29(45-37)24-12-14-28-23(16-24)9-10-26-18-32(57-36(26)28)30-20-44-38(46-30)35-25-11-13-27(17-25)50(35)40(52)34(22(3)4)48-42(54)56-6/h9-10,12,14,16,18-22,25,27,31,33-35H,7-8,11,13,15,17H2,1-6H3,(H,43,45)(H,44,46)(H,47,53)(H,48,54)/t25-,27+,31+,33+,34+,35+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0110	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a infected in human Huh7.5/J6/JFH1/EMCVIRES/hRlucNeo cells assessed as inhibition of replicon levels incubated fo...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505975 (CHEMBL4473049) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2ccc3cc(ccc3c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H48N8O6S/c1-21(2)32(45-39(51)53-5)37(49)47-15-7-9-29(47)35-41-19-27(43-35)24-13-14-26-23(17-24)11-12-25-18-31(55-34(25)26)28-20-42-36(44-28)30-10-8-16-48(30)38(50)33(22(3)4)46-40(52)54-6/h11-14,17-22,29-30,32-33H,7-10,15-16H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t29-,30-,32-,33-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0120	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505963 (CHEMBL4465993) Show SMILES [H][C@@]12CC[C@@]([H])(C1)N([C@@H]2c1ncc([nH]1)-c1cc2ccc3cc(ccc3c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C)C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C42H50N8O6S/c1-21(2)33(47-41(53)55-5)39(51)49-15-7-8-31(49)37-43-19-29(45-37)24-12-14-28-23(16-24)9-10-26-18-32(57-36(26)28)30-20-44-38(46-30)35-25-11-13-27(17-25)50(35)40(52)34(22(3)4)48-42(54)56-6/h9-10,12,14,16,18-22,25,27,31,33-35H,7-8,11,13,15,17H2,1-6H3,(H,43,45)(H,44,46)(H,47,53)(H,48,54)/t25-,27+,31+,33+,34+,35+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0130	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505984 (CHEMBL4439465) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(CCc3cc(ccc-23)-c2cnc([nH]2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c1 |r| Show InChI InChI=1S/C42H52N8O6/c1-23(2)35(47-41(53)55-5)39(51)49-17-7-9-33(49)37-43-21-31(45-37)27-13-15-29-25(19-27)11-12-26-20-28(14-16-30(26)29)32-22-44-38(46-32)34-10-8-18-50(34)40(52)36(24(3)4)48-42(54)56-6/h13-16,19-24,33-36H,7-12,17-18H2,1-6H3,(H,43,45)(H,44,46)(H,47,53)(H,48,54)/t33-,34-,35-,36-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0150	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505973 (CHEMBL4528105) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(Cl)c([nH]1)-c1ccc-2c(OCCCOc3cc(ccc-23)-c2[nH]c(nc2Cl)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c1 |r| Show InChI InChI=1S/C43H52Cl2N8O8/c1-22(2)32(48-42(56)58-5)40(54)52-16-7-10-28(52)38-46-34(36(44)50-38)24-12-14-26-27-15-13-25(21-31(27)61-19-9-18-60-30(26)20-24)35-37(45)51-39(47-35)29-11-8-17-53(29)41(55)33(23(3)4)49-43(57)59-6/h12-15,20-23,28-29,32-33H,7-11,16-19H2,1-6H3,(H,46,50)(H,47,51)(H,48,56)(H,49,57)/t28-,29-,32-,33-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0190	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505965 (CHEMBL4574210) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2COc3cc(ccc3-c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C39H48N8O7S/c1-20(2)31(44-38(50)52-5)36(48)46-13-7-9-27(46)34-40-17-25(42-34)22-11-12-24-29(15-22)54-19-23-16-30(55-33(23)24)26-18-41-35(43-26)28-10-8-14-47(28)37(49)32(21(3)4)45-39(51)53-6/h11-12,15-18,20-21,27-28,31-32H,7-10,13-14,19H2,1-6H3,(H,40,42)(H,41,43)(H,44,50)(H,45,51)/t27-,28-,31-,32-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505977 (CHEMBL4457725) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(Cl)c([nH]1)-c1cc2CCCc3cc(ccc3-c2s1)-c1[nH]c(nc1Cl)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C41H50Cl2N8O6S/c1-20(2)29(46-40(54)56-5)38(52)50-16-8-12-26(50)36-44-31(34(42)48-36)23-14-15-25-22(18-23)10-7-11-24-19-28(58-33(24)25)32-35(43)49-37(45-32)27-13-9-17-51(27)39(53)30(21(3)4)47-41(55)57-6/h14-15,18-21,26-27,29-30H,7-13,16-17H2,1-6H3,(H,44,48)(H,45,49)(H,46,54)(H,47,55)/t26-,27-,29-,30-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505974 (CHEMBL4573283) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2CCc3cc(ccc3-c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H50N8O6S/c1-21(2)32(45-39(51)53-5)37(49)47-15-7-9-29(47)35-41-19-27(43-35)24-13-14-26-23(17-24)11-12-25-18-31(55-34(25)26)28-20-42-36(44-28)30-10-8-16-48(30)38(50)33(22(3)4)46-40(52)54-6/h13-14,17-22,29-30,32-33H,7-12,15-16H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t29-,30-,32-,33-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0210	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505980 (CHEMBL4451519) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(OCC(C)(C)COc3cc(ccc-23)-c2[nH]c(nc2Cl)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c1 |r| Show InChI InChI=1S/C45H57ClN8O8/c1-24(2)35(50-43(57)59-7)41(55)53-17-9-11-31(53)39-47-21-30(48-39)26-13-15-28-29-16-14-27(20-34(29)62-23-45(5,6)22-61-33(28)19-26)37-38(46)52-40(49-37)32-12-10-18-54(32)42(56)36(25(3)4)51-44(58)60-8/h13-16,19-21,24-25,31-32,35-36H,9-12,17-18,22-23H2,1-8H3,(H,47,48)(H,49,52)(H,50,57)(H,51,58)/t31-,32-,35-,36-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0210	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505982 (CHEMBL4472336) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2CCCc3cc(ccc3-c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C41H52N8O6S/c1-22(2)33(46-40(52)54-5)38(50)48-16-8-12-30(48)36-42-20-28(44-36)25-14-15-27-24(18-25)10-7-11-26-19-32(56-35(26)27)29-21-43-37(45-29)31-13-9-17-49(31)39(51)34(23(3)4)47-41(53)55-6/h14-15,18-23,30-31,33-34H,7-13,16-17H2,1-6H3,(H,42,44)(H,43,45)(H,46,52)(H,47,53)/t30-,31-,33-,34-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0210	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505974 (CHEMBL4573283) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2CCc3cc(ccc3-c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H50N8O6S/c1-21(2)32(45-39(51)53-5)37(49)47-15-7-9-29(47)35-41-19-27(43-35)24-13-14-26-23(17-24)11-12-25-18-31(55-34(25)26)28-20-42-36(44-28)30-10-8-16-48(30)38(50)33(22(3)4)46-40(52)54-6/h13-14,17-22,29-30,32-33H,7-12,15-16H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t29-,30-,32-,33-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0210	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a infected in human Huh7.5/J6/JFH1/EMCVIRES/hRlucNeo cells assessed as inhibition of replicon levels incubated fo...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505983 (CHEMBL4449130) Show SMILES [H][C@@]12CC[C@@]([H])(C1)N([C@@H]2c1ncc([nH]1)-c1cc2ccc3cc(ccc3c2s1)-c1cnc([nH]1)[C@H]1N(C(=O)[C@@H](NC(=O)OC)C(C)C)[C@@]2([H])CC[C@]1([H])C2)C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C44H52N8O6S/c1-21(2)34(49-43(55)57-5)41(53)51-28-12-9-25(16-28)36(51)39-45-19-31(47-39)24-11-14-30-23(15-24)7-8-27-18-33(59-38(27)30)32-20-46-40(48-32)37-26-10-13-29(17-26)52(37)42(54)35(22(3)4)50-44(56)58-6/h7-8,11,14-15,18-22,25-26,28-29,34-37H,9-10,12-13,16-17H2,1-6H3,(H,45,47)(H,46,48)(H,49,55)(H,50,56)/t25-,26-,28+,29+,34+,35+,36+,37+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0210	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505976 (CHEMBL4473368) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2CCOc3cc(ccc3-c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H50N8O7S/c1-21(2)32(45-39(51)53-5)37(49)47-14-7-9-28(47)35-41-19-26(43-35)23-11-12-25-30(17-23)55-16-13-24-18-31(56-34(24)25)27-20-42-36(44-27)29-10-8-15-48(29)38(50)33(22(3)4)46-40(52)54-6/h11-12,17-22,28-29,32-33H,7-10,13-16H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t28-,29-,32-,33-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0220	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50387084 (BMS-790052 | DACLATASVIR) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0230	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505975 (CHEMBL4473049) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2ccc3cc(ccc3c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H48N8O6S/c1-21(2)32(45-39(51)53-5)37(49)47-15-7-9-29(47)35-41-19-27(43-35)24-13-14-26-23(17-24)11-12-25-18-31(55-34(25)26)28-20-42-36(44-28)30-10-8-16-48(30)38(50)33(22(3)4)46-40(52)54-6/h11-14,17-22,29-30,32-33H,7-10,15-16H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t29-,30-,32-,33-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1a infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505975 (CHEMBL4473049) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2ccc3cc(ccc3c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H48N8O6S/c1-21(2)32(45-39(51)53-5)37(49)47-15-7-9-29(47)35-41-19-27(43-35)24-13-14-26-23(17-24)11-12-25-18-31(55-34(25)26)28-20-42-36(44-28)30-10-8-16-48(30)38(50)33(22(3)4)46-40(52)54-6/h11-14,17-22,29-30,32-33H,7-10,15-16H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t29-,30-,32-,33-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0280	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 6a infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505965 (CHEMBL4574210) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2COc3cc(ccc3-c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C39H48N8O7S/c1-20(2)31(44-38(50)52-5)36(48)46-13-7-9-27(46)34-40-17-25(42-34)22-11-12-24-29(15-22)54-19-23-16-30(55-33(23)24)26-18-41-35(43-26)28-10-8-14-47(28)37(49)32(21(3)4)45-39(51)53-6/h11-12,15-18,20-21,27-28,31-32H,7-10,13-14,19H2,1-6H3,(H,40,42)(H,41,43)(H,44,50)(H,45,51)/t27-,28-,31-,32-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a infected in human Huh7.5/J6/JFH1/EMCVIRES/hRlucNeo cells assessed as inhibition of replicon levels incubated fo...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505965 (CHEMBL4574210) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2COc3cc(ccc3-c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C39H48N8O7S/c1-20(2)31(44-38(50)52-5)36(48)46-13-7-9-27(46)34-40-17-25(42-34)22-11-12-24-29(15-22)54-19-23-16-30(55-33(23)24)26-18-41-35(43-26)28-10-8-14-47(28)37(49)32(21(3)4)45-39(51)53-6/h11-12,15-18,20-21,27-28,31-32H,7-10,13-14,19H2,1-6H3,(H,40,42)(H,41,43)(H,44,50)(H,45,51)/t27-,28-,31-,32-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0310	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1a infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505973 (CHEMBL4528105) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(Cl)c([nH]1)-c1ccc-2c(OCCCOc3cc(ccc-23)-c2[nH]c(nc2Cl)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c1 |r| Show InChI InChI=1S/C43H52Cl2N8O8/c1-22(2)32(48-42(56)58-5)40(54)52-16-7-10-28(52)38-46-34(36(44)50-38)24-12-14-26-27-15-13-25(21-31(27)61-19-9-18-60-30(26)20-24)35-37(45)51-39(47-35)29-11-8-17-53(29)41(55)33(23(3)4)49-43(57)59-6/h12-15,20-23,28-29,32-33H,7-11,16-19H2,1-6H3,(H,46,50)(H,47,51)(H,48,56)(H,49,57)/t28-,29-,32-,33-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0310	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a infected in human Huh7.5/J6/JFH1/EMCVIRES/hRlucNeo cells assessed as inhibition of replicon levels incubated fo...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM371616 ((R)-4-(2-(6-Fluoropyridin-3-yl)-4-(trifluoromethyl...) Show SMILES Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F Show InChI InChI=1S/C25H18F4N4O3S/c26-23-6-1-15(13-31-23)21-11-16(25(27,28)29)2-4-18(21)19-8-10-36-22-12-17(3-5-20(19)22)37(34,35)33-24-7-9-30-14-32-24/h1-7,9,11-14,19H,8,10H2,(H,30,32,33)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco					Assay Description HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37° C./5% CO2 f...				J Med Chem 51: 545-52 (2008) BindingDB Entry DOI: 10.7270/Q2NG4SZX
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505975 (CHEMBL4473049) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2ccc3cc(ccc3c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H48N8O6S/c1-21(2)32(45-39(51)53-5)37(49)47-15-7-9-29(47)35-41-19-27(43-35)24-13-14-26-23(17-24)11-12-25-18-31(55-34(25)26)28-20-42-36(44-28)30-10-8-16-48(30)38(50)33(22(3)4)46-40(52)54-6/h11-14,17-22,29-30,32-33H,7-10,15-16H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t29-,30-,32-,33-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0470	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 3a infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505972 (CHEMBL4555644) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(OCCCOc3cc(ccc-23)-c2[nH]c(nc2Cl)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c1 |r| Show InChI InChI=1S/C43H53ClN8O8/c1-23(2)34(48-42(55)57-5)40(53)51-16-7-10-30(51)38-45-22-29(46-38)25-12-14-27-28-15-13-26(21-33(28)60-19-9-18-59-32(27)20-25)36-37(44)50-39(47-36)31-11-8-17-52(31)41(54)35(24(3)4)49-43(56)58-6/h12-15,20-24,30-31,34-35H,7-11,16-19H2,1-6H3,(H,45,46)(H,47,50)(H,48,55)(H,49,56)/t30-,31-,34-,35-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0510	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505977 (CHEMBL4457725) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(Cl)c([nH]1)-c1cc2CCCc3cc(ccc3-c2s1)-c1[nH]c(nc1Cl)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C41H50Cl2N8O6S/c1-20(2)29(46-40(54)56-5)38(52)50-16-8-12-26(50)36-44-31(34(42)48-36)23-14-15-25-22(18-23)10-7-11-24-19-28(58-33(24)25)32-35(43)49-37(45-32)27-13-9-17-51(27)39(53)30(21(3)4)47-41(55)57-6/h14-15,18-21,26-27,29-30H,7-13,16-17H2,1-6H3,(H,44,48)(H,45,49)(H,46,54)(H,47,55)/t26-,27-,29-,30-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0520	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a infected in human Huh7.5/J6/JFH1/EMCVIRES/hRlucNeo cells assessed as inhibition of replicon levels incubated fo...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505972 (CHEMBL4555644) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(OCCCOc3cc(ccc-23)-c2[nH]c(nc2Cl)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c1 |r| Show InChI InChI=1S/C43H53ClN8O8/c1-23(2)34(48-42(55)57-5)40(53)51-16-7-10-30(51)38-45-22-29(46-38)25-12-14-27-28-15-13-26(21-33(28)60-19-9-18-59-32(27)20-25)36-37(44)50-39(47-36)31-11-8-17-52(31)41(54)35(24(3)4)49-43(56)58-6/h12-15,20-24,30-31,34-35H,7-11,16-19H2,1-6H3,(H,45,46)(H,47,50)(H,48,55)(H,49,56)/t30-,31-,34-,35-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0530	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a infected in human Huh7.5/J6/JFH1/EMCVIRES/hRlucNeo cells assessed as inhibition of replicon levels incubated fo...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505965 (CHEMBL4574210) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2COc3cc(ccc3-c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C39H48N8O7S/c1-20(2)31(44-38(50)52-5)36(48)46-13-7-9-27(46)34-40-17-25(42-34)22-11-12-24-29(15-22)54-19-23-16-30(55-33(23)24)26-18-41-35(43-26)28-10-8-14-47(28)37(49)32(21(3)4)45-39(51)53-6/h11-12,15-18,20-21,27-28,31-32H,7-10,13-14,19H2,1-6H3,(H,40,42)(H,41,43)(H,44,50)(H,45,51)/t27-,28-,31-,32-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0550	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 6a infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505964 (CHEMBL4455109) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(OCC(C)(C)COc3cc(ccc-23)-c2cnc([nH]2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c1 |r| Show InChI InChI=1S/C45H58N8O8/c1-25(2)37(50-43(56)58-7)41(54)52-17-9-11-33(52)39-46-21-31(48-39)27-13-15-29-30-16-14-28(20-36(30)61-24-45(5,6)23-60-35(29)19-27)32-22-47-40(49-32)34-12-10-18-53(34)42(55)38(26(3)4)51-44(57)59-8/h13-16,19-22,25-26,33-34,37-38H,9-12,17-18,23-24H2,1-8H3,(H,46,48)(H,47,49)(H,50,56)(H,51,57)/t33-,34-,37-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0690	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505987 (CHEMBL4556830) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1nc2c(ccc3cc(ccc23)-c2cnc([nH]2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)s1 |r| Show InChI InChI=1S/C39H47N9O6S/c1-20(2)30(45-38(51)53-5)36(49)47-15-7-9-27(47)33-40-18-25(42-33)23-11-13-24-22(17-23)12-14-29-32(24)44-35(55-29)26-19-41-34(43-26)28-10-8-16-48(28)37(50)31(21(3)4)46-39(52)54-6/h11-14,17-21,27-28,30-31H,7-10,15-16H2,1-6H3,(H,40,42)(H,41,43)(H,45,51)(H,46,52)/t27-,28-,30-,31-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0730	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505965 (CHEMBL4574210) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cc2COc3cc(ccc3-c2s1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C39H48N8O7S/c1-20(2)31(44-38(50)52-5)36(48)46-13-7-9-27(46)34-40-17-25(42-34)22-11-12-24-29(15-22)54-19-23-16-30(55-33(23)24)26-18-41-35(43-26)28-10-8-14-47(28)37(49)32(21(3)4)45-39(51)53-6/h11-12,15-18,20-21,27-28,31-32H,7-10,13-14,19H2,1-6H3,(H,40,42)(H,41,43)(H,44,50)(H,45,51)/t27-,28-,31-,32-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0750	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 3a infected in human HuH7.5/Con1/SG-Neo(I)-hRluc2aUb cells assessed as inhibition of replicon levels incubated for...				J Med Chem 62: 10563-10582 (2019) Article DOI: 10.1021/acs.jmedchem.9b01562 BindingDB Entry DOI: 10.7270/Q28P63VQ
					More data for this Ligand-Target Pair

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