Compile Data Set for Download or QSAR

Found 570 hits with Last Name = 'walke' and Initial = 'ds'   

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
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)	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)	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)	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)	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)	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)	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)	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
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
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
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505979 (CHEMBL4524363) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc2CC3(Cc4ccc(cc4C3)-c3cnc([nH]3)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)Cc2c1 |r| Show InChI InChI=1S/C45H56N8O6/c1-25(2)37(50-43(56)58-5)41(54)52-15-7-9-35(52)39-46-23-33(48-39)27-11-13-29-19-45(21-31(29)17-27)20-30-14-12-28(18-32(30)22-45)34-24-47-40(49-34)36-10-8-16-53(36)42(55)38(26(3)4)51-44(57)59-6/h11-14,17-18,23-26,35-38H,7-10,15-16,19-22H2,1-6H3,(H,46,48)(H,47,49)(H,50,56)(H,51,57)/t35-,36-,37-,38-,45?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0800	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
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	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Lupin Ltd. Curated by ChEMBL					Assay Description Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...				J Med Chem 63: 6107-6133 (2020) Article DOI: 10.1021/acs.jmedchem.0c00361 BindingDB Entry DOI: 10.7270/Q2V69P5C
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50505962 (CHEMBL4463606) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(C2CC2)c([nH]1)-c1ccc-2c(OCC(C)(C)COc3cc(ccc-23)-c2[nH]c(nc2C2CC2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c1 |r| Show InChI InChI=1S/C51H66N8O8/c1-27(2)39(56-49(62)64-7)47(60)58-21-9-11-35(58)45-52-41(29-13-14-29)43(54-45)31-17-19-33-34-20-18-32(24-38(34)67-26-51(5,6)25-66-37(33)23-31)44-42(30-15-16-30)53-46(55-44)36-12-10-22-59(36)48(61)40(28(3)4)57-50(63)65-8/h17-20,23-24,27-30,35-36,39-40H,9-16,21-22,25-26H2,1-8H3,(H,52,54)(H,53,55)(H,56,62)(H,57,63)/t35-,36-,39-,40-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.115	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)	BDBM50505971 (CHEMBL4529292) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(OCC3(CC3)COc3cc(ccc-23)-c2cnc([nH]2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c1 |r| Show InChI InChI=1S/C45H56N8O8/c1-25(2)37(50-43(56)58-5)41(54)52-17-7-9-33(52)39-46-21-31(48-39)27-11-13-29-30-14-12-28(20-36(30)61-24-45(15-16-45)23-60-35(29)19-27)32-22-47-40(49-32)34-10-8-18-53(34)42(55)38(26(3)4)51-44(57)59-6/h11-14,19-22,25-26,33-34,37-38H,7-10,15-18,23-24H2,1-6H3,(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	0.135	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)	BDBM50505985 (CHEMBL2024204) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H54N8O6/c1-27(2)39(51-45(57)59-5)43(55)53-23-7-9-37(53)41-47-25-35(49-41)33-19-15-31(16-20-33)29-11-13-30(14-12-29)32-17-21-34(22-18-32)36-26-48-42(50-36)38-10-8-24-54(38)44(56)40(28(3)4)52-46(58)60-6/h11-22,25-28,37-40H,7-10,23-24H2,1-6H3,(H,47,49)(H,48,50)(H,51,57)(H,52,58)/t37-,38-,39-,40-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.136	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)	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	0.176	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)	BDBM50505970 (CHEMBL4555133) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(OCCCCOc3cc(ccc-23)-c2cnc([nH]2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c1 |r| Show InChI InChI=1S/C44H56N8O8/c1-25(2)37(49-43(55)57-5)41(53)51-17-9-11-33(51)39-45-23-31(47-39)27-13-15-29-30-16-14-28(22-36(30)60-20-8-7-19-59-35(29)21-27)32-24-46-40(48-32)34-12-10-18-52(34)42(54)38(26(3)4)50-44(56)58-6/h13-16,21-26,33-34,37-38H,7-12,17-20H2,1-6H3,(H,45,47)(H,46,48)(H,49,55)(H,50,56)/t33-,34-,37-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.194	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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM371648 ((R)-N-(6-Fluoropyridin-2-yl)-4-(2-(2-methyloxazol-...) Show SMILES Cc1nc(co1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F Show InChI InChI=1S/C25H19F4N3O4S/c1-14-30-21(13-36-14)20-11-15(25(27,28)29)5-7-17(20)18-9-10-35-22-12-16(6-8-19(18)22)37(33,34)32-24-4-2-3-23(26)31-24/h2-8,11-13,18H,9-10H2,1H3,(H,31,32)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM371618 ((R)-4-(2-(6-Fluoropyridin-3-yl)-4-(trifluoromethyl...) Show SMILES Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F Show InChI InChI=1S/C25H18F4N4O3S/c26-23-8-3-15(14-30-23)21-12-16(25(27,28)29)4-6-18(21)19-9-11-36-22-13-17(5-7-20(19)22)37(34,35)33-24-2-1-10-31-32-24/h1-8,10,12-14,19H,9,11H2,(H,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	0.200	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)	BDBM50505986 (CHEMBL4450661) Show SMILES CCc1nc([nH]c1-c1ccc-2c(OCC(C)(C)COc3cc(ccc-23)-c2[nH]c(nc2CC)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C49H66N8O8/c1-11-33-41(52-43(50-33)35-15-13-21-56(35)45(58)39(27(3)4)54-47(60)62-9)29-17-19-31-32-20-18-30(24-38(32)65-26-49(7,8)25-64-37(31)23-29)42-34(12-2)51-44(53-42)36-16-14-22-57(36)46(59)40(28(5)6)55-48(61)63-10/h17-20,23-24,27-28,35-36,39-40H,11-16,21-22,25-26H2,1-10H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t35-,36-,39-,40-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.219	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)	BDBM50505967 (CHEMBL4469420) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C44H58N10O6/c1-27(2)37(49-43(57)59-5)41(55)53-19-7-9-35(53)39-45-25-33(47-39)29-11-15-31(16-12-29)51-21-23-52(24-22-51)32-17-13-30(14-18-32)34-26-46-40(48-34)36-10-8-20-54(36)42(56)38(28(3)4)50-44(58)60-6/h11-18,25-28,35-38H,7-10,19-24H2,1-6H3,(H,45,47)(H,46,48)(H,49,57)(H,50,58)/t35-,36-,37-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.262	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)	BDBM50505969 (CHEMBL4549194) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(OCCCOc3cc(ccc-23)-c2cnc([nH]2)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c1 |r| Show InChI InChI=1S/C43H54N8O8/c1-24(2)36(48-42(54)56-5)40(52)50-16-7-10-32(50)38-44-22-30(46-38)26-12-14-28-29-15-13-27(21-35(29)59-19-9-18-58-34(28)20-26)31-23-45-39(47-31)33-11-8-17-51(33)41(53)37(25(3)4)49-43(55)57-6/h12-15,20-25,32-33,36-37H,7-11,16-19H2,1-6H3,(H,44,46)(H,45,47)(H,48,54)(H,49,55)/t32-,33-,36-,37-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.288	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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM371635 ((R)-4-(2-(1H-1,2,3-Triazol-1-yl)-4-(trifluoromethy...) Show SMILES Fc1cccc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2-n2ccnn2)C(F)(F)F)n1 Show InChI InChI=1S/C23H17F4N5O3S/c24-21-2-1-3-22(29-21)30-36(33,34)15-5-7-18-16(8-11-35-20(18)13-15)17-6-4-14(23(25,26)27)12-19(17)32-10-9-28-31-32/h1-7,9-10,12-13,16H,8,11H2,(H,29,30)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM371523 ((R)-N-(6-Fluoropyridin-2-yl)-4-(2-(1-methyl-1H-pyr...) Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccc(F)n1)C(F)(F)F Show InChI InChI=1S/C25H20F4N4O3S/c1-33-21(9-11-30-33)20-13-15(25(27,28)29)5-7-17(20)18-10-12-36-22-14-16(6-8-19(18)22)37(34,35)32-24-4-2-3-23(26)31-24/h2-9,11,13-14,18H,10,12H2,1H3,(H,31,32)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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)	BDBM50505968 (CHEMBL4462368) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)C12CCC(CC1)(CC2)c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C48H62N8O6/c1-29(2)39(53-45(59)61-5)43(57)55-25-7-9-37(55)41-49-27-35(51-41)31-11-15-33(16-12-31)47-19-22-48(23-20-47,24-21-47)34-17-13-32(14-18-34)36-28-50-42(52-36)38-10-8-26-56(38)44(58)40(30(3)4)54-46(60)62-6/h11-18,27-30,37-40H,7-10,19-26H2,1-6H3,(H,49,51)(H,50,52)(H,53,59)(H,54,60)/t37-,38-,39-,40-,47?,48?/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.312	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

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