Compile Data Set for Download or QSAR

Found 91 hits with Last Name = 'adjabeng' and Initial = 'g'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50300504 (CHEMBL574455 | N-({3-[(5S)-5-tert-butyl-1-[(4-fluo...) Show SMILES CN(Cc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(Cc2ccc(F)cc2)C1=O)C(C)(C)C)S(N)(=O)=O |r,w:14.16| Show InChI InChI=1S/C24H27FN4O6S2/c1-24(2,3)22-20(30)18(23(31)29(22)12-14-8-10-16(25)11-9-14)19-17-7-5-6-15(13-28(4)37(26,34)35)21(17)36(32,33)27-19/h5-11,22,27H,12-13H2,1-4H3,(H2,26,34,35)/t22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HSV1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5652-6 (2009) Article DOI: 10.1016/j.bmcl.2009.08.022 BindingDB Entry DOI: 10.7270/Q2N016K0
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50300502 (CHEMBL572682 | N-({3-[(5S)-5-tert-butyl-1-[(4-fluo...) Show SMILES CC(C)(C)[C@@H]1N(Cc2ccc(F)cc2)C(=O)C(C2NS(=O)(=O)c3c2cccc3C=NS(N)(=O)=O)C1=O |r,w:28.30| Show InChI InChI=1S/C23H25FN4O6S2/c1-23(2,3)21-19(29)17(22(30)28(21)12-13-7-9-15(24)10-8-13)18-16-6-4-5-14(11-26-36(25,33)34)20(16)35(31,32)27-18/h4-11,17-18,21,27H,12H2,1-3H3,(H2,25,33,34)/t17?,18?,21-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HSV1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5652-6 (2009) Article DOI: 10.1016/j.bmcl.2009.08.022 BindingDB Entry DOI: 10.7270/Q2N016K0
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50300497 (CHEMBL578433 | N-({3-[(5S)-5-tert-butyl-1-(4-fluor...) Show SMILES CC(C)(C)[C@@H]1N(Cc2ccc(F)cc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2CNS(C)(=O)=O |r,w:16.17| Show InChI InChI=1S/C24H26FN3O6S2/c1-24(2,3)22-20(29)18(23(30)28(22)13-14-8-10-16(25)11-9-14)19-17-7-5-6-15(12-26-35(4,31)32)21(17)36(33,34)27-19/h5-11,22,26-27H,12-13H2,1-4H3/t22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HSV1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5652-6 (2009) Article DOI: 10.1016/j.bmcl.2009.08.022 BindingDB Entry DOI: 10.7270/Q2N016K0
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50300503 (CHEMBL582995 | N-({3-[(5S)-5-tert-butyl-1-[(4-fluo...) Show SMILES Cc1cc(CN2[C@H](C(=O)C(C3NS(=O)(=O)c4c3cccc4C=NS(N)(=O)=O)C2=O)C(C)(C)C)ccc1F |r,w:21.22| Show InChI InChI=1S/C24H27FN4O6S2/c1-13-10-14(8-9-17(13)25)12-29-22(24(2,3)4)20(30)18(23(29)31)19-16-7-5-6-15(11-27-37(26,34)35)21(16)36(32,33)28-19/h5-11,18-19,22,28H,12H2,1-4H3,(H2,26,34,35)/t18?,19?,22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HSV1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5652-6 (2009) Article DOI: 10.1016/j.bmcl.2009.08.022 BindingDB Entry DOI: 10.7270/Q2N016K0
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50300498 (CHEMBL575777 | N-{3-[(S)-5-tert-Butyl-1-(4-fluoro-...) Show SMILES Cc1cc(CN2[C@H](C(=O)C(C2=O)=C2NS(=O)(=O)c3c2cccc3CNS(C)(=O)=O)C(C)(C)C)ccc1F |r,w:9.8| Show InChI InChI=1S/C25H28FN3O6S2/c1-14-11-15(9-10-18(14)26)13-29-23(25(2,3)4)21(30)19(24(29)31)20-17-8-6-7-16(12-27-36(5,32)33)22(17)37(34,35)28-20/h6-11,23,27-28H,12-13H2,1-5H3/t23-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HSV1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5652-6 (2009) Article DOI: 10.1016/j.bmcl.2009.08.022 BindingDB Entry DOI: 10.7270/Q2N016K0
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50300499 ((S)-5-tert-Butyl-1-(4-fluoro-benzyl)-4-hydroxy-3-[...) Show SMILES CC(C)(C)[C@@H]1N(Cc2ccc(F)cc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2CCS(C)(=O)=O |r,w:16.17| Show InChI InChI=1S/C25H27FN2O6S2/c1-25(2,3)23-21(29)19(24(30)28(23)14-15-8-10-17(26)11-9-15)20-18-7-5-6-16(12-13-35(4,31)32)22(18)36(33,34)27-20/h5-11,23,27H,12-14H2,1-4H3/t23-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HSV1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5652-6 (2009) Article DOI: 10.1016/j.bmcl.2009.08.022 BindingDB Entry DOI: 10.7270/Q2N016K0
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50300496 (CHEMBL577404 | N-{3-[(S)-5-tert-Butyl-1-(4-fluoro-...) Show SMILES CC(C)(C)[C@@H]1N(Cc2ccc(F)cc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2NS(C)(=O)=O |r,w:16.17| Show InChI InChI=1S/C23H24FN3O6S2/c1-23(2,3)21-19(28)17(22(29)27(21)12-13-8-10-14(24)11-9-13)18-15-6-5-7-16(25-34(4,30)31)20(15)35(32,33)26-18/h5-11,21,25-26H,12H2,1-4H3/t21-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HSV1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5652-6 (2009) Article DOI: 10.1016/j.bmcl.2009.08.022 BindingDB Entry DOI: 10.7270/Q2N016K0
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50300505 (CHEMBL572683 | N-{3-[(S)-5-tert-Butyl-1-(4-fluoro-...) Show SMILES CN(Cc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(Cc2ccc(F)c(C)c2)C1=O)C(C)(C)C)S(C)(=O)=O |r,w:14.16| Show InChI InChI=1S/C26H30FN3O6S2/c1-15-12-16(10-11-19(15)27)13-30-24(26(2,3)4)22(31)20(25(30)32)21-18-9-7-8-17(14-29(5)37(6,33)34)23(18)38(35,36)28-21/h7-12,24,28H,13-14H2,1-6H3/t24-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HSV1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5652-6 (2009) Article DOI: 10.1016/j.bmcl.2009.08.022 BindingDB Entry DOI: 10.7270/Q2N016K0
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50300501 (CHEMBL573175 | {3-[(S)-5-tert-Butyl-1-(4-fluoro-be...) Show SMILES CC(C)(C)[C@@H]1N(Cc2ccc(F)cc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCS(N)(=O)=O |r,w:16.17| Show InChI InChI=1S/C23H24FN3O7S2/c1-23(2,3)21-19(28)17(22(29)27(21)11-13-7-9-14(24)10-8-13)18-15-5-4-6-16(34-12-35(25,30)31)20(15)36(32,33)26-18/h4-10,21,26H,11-12H2,1-3H3,(H2,25,30,31)/t21-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HSV1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5652-6 (2009) Article DOI: 10.1016/j.bmcl.2009.08.022 BindingDB Entry DOI: 10.7270/Q2N016K0
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50300500 ((S)-5-tert-Butyl-1-(4-fluoro-benzyl)-4-hydroxy-3-(...) Show SMILES CC(C)(C)[C@@H]1N(Cc2ccc(F)cc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2OCS(C)(=O)=O |r,w:16.17| Show InChI InChI=1S/C24H25FN2O7S2/c1-24(2,3)22-20(28)18(23(29)27(22)12-14-8-10-15(25)11-9-14)19-16-6-5-7-17(34-13-35(4,30)31)21(16)36(32,33)26-19/h5-11,22,26H,12-13H2,1-4H3/t22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HSV1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5652-6 (2009) Article DOI: 10.1016/j.bmcl.2009.08.022 BindingDB Entry DOI: 10.7270/Q2N016K0
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM30491 (1,1-dioxoisothiazole analog., 35) Show SMILES CN(Cc1cccc2C(NS(=O)(=O)c12)=C1C(=O)[C@@H](N(Cc2ccc(F)c(Cl)c2)C1=O)C(C)(C)C)S(C)(=O)=O |r,w:14.16| Show InChI InChI=1S/C25H27ClFN3O6S2/c1-25(2,3)23-21(31)19(24(32)30(23)12-14-9-10-18(27)17(26)11-14)20-16-8-6-7-15(13-29(4)37(5,33)34)22(16)38(35,36)28-20/h6-11,23,28H,12-13H2,1-5H3/t23-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HSV1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5652-6 (2009) Article DOI: 10.1016/j.bmcl.2009.08.022 BindingDB Entry DOI: 10.7270/Q2N016K0
					More data for this Ligand-Target Pair
Nuclear receptor coactivator 1 (Homo sapiens (Human))	BDBM50349213 (CHEMBL1808264 | D3RKN_42) Show SMILES CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1 Show InChI InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-6-8-21(32)25(16-19)40-46(42,43)29-22(33)4-3-5-23(29)34)28(45-30)24-10-11-35-31(38-24)37-20-7-9-26(36-17-20)41-12-14-44-15-13-41/h3-11,16-18,40H,12-15H2,1-2H3,(H,35,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Oncology CEDD Curated by ChEMBL					Assay Description Inhibition of Src1				Bioorg Med Chem Lett 21: 4436-40 (2011) Article DOI: 10.1016/j.bmcl.2011.06.021 BindingDB Entry DOI: 10.7270/Q2Q240KZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lyn (Homo sapiens (Human))	BDBM50349213 (CHEMBL1808264 | D3RKN_42) Show SMILES CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1 Show InChI InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-6-8-21(32)25(16-19)40-46(42,43)29-22(33)4-3-5-23(29)34)28(45-30)24-10-11-35-31(38-24)37-20-7-9-26(36-17-20)41-12-14-44-15-13-41/h3-11,16-18,40H,12-15H2,1-2H3,(H,35,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Oncology CEDD Curated by ChEMBL					Assay Description Inhibition of Lyn				Bioorg Med Chem Lett 21: 4436-40 (2011) Article DOI: 10.1016/j.bmcl.2011.06.021 BindingDB Entry DOI: 10.7270/Q2Q240KZ
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4 (Homo sapiens (Human))	BDBM50349213 (CHEMBL1808264 | D3RKN_42) Show SMILES CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1 Show InChI InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-6-8-21(32)25(16-19)40-46(42,43)29-22(33)4-3-5-23(29)34)28(45-30)24-10-11-35-31(38-24)37-20-7-9-26(36-17-20)41-12-14-44-15-13-41/h3-11,16-18,40H,12-15H2,1-2H3,(H,35,37,38)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Oncology CEDD Curated by ChEMBL					Assay Description Inhibition of ErbB4				Bioorg Med Chem Lett 21: 4436-40 (2011) Article DOI: 10.1016/j.bmcl.2011.06.021 BindingDB Entry DOI: 10.7270/Q2Q240KZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50349213 (CHEMBL1808264 | D3RKN_42) Show SMILES CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1 Show InChI InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-6-8-21(32)25(16-19)40-46(42,43)29-22(33)4-3-5-23(29)34)28(45-30)24-10-11-35-31(38-24)37-20-7-9-26(36-17-20)41-12-14-44-15-13-41/h3-11,16-18,40H,12-15H2,1-2H3,(H,35,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Oncology CEDD Curated by ChEMBL					Assay Description Inhibition of Btk				Bioorg Med Chem Lett 21: 4436-40 (2011) Article DOI: 10.1016/j.bmcl.2011.06.021 BindingDB Entry DOI: 10.7270/Q2Q240KZ
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50349213 (CHEMBL1808264 | D3RKN_42) Show SMILES CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1 Show InChI InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-6-8-21(32)25(16-19)40-46(42,43)29-22(33)4-3-5-23(29)34)28(45-30)24-10-11-35-31(38-24)37-20-7-9-26(36-17-20)41-12-14-44-15-13-41/h3-11,16-18,40H,12-15H2,1-2H3,(H,35,37,38)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Oncology CEDD Curated by ChEMBL					Assay Description Inhibition of ALK5				Bioorg Med Chem Lett 21: 4436-40 (2011) Article DOI: 10.1016/j.bmcl.2011.06.021 BindingDB Entry DOI: 10.7270/Q2Q240KZ
					More data for this Ligand-Target Pair
Activin receptor type-2B (Homo sapiens (Human))	BDBM50349213 (CHEMBL1808264 | D3RKN_42) Show SMILES CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1 Show InChI InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-6-8-21(32)25(16-19)40-46(42,43)29-22(33)4-3-5-23(29)34)28(45-30)24-10-11-35-31(38-24)37-20-7-9-26(36-17-20)41-12-14-44-15-13-41/h3-11,16-18,40H,12-15H2,1-2H3,(H,35,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Oncology CEDD Curated by ChEMBL					Assay Description Inhibition of ACTR-2B				Bioorg Med Chem Lett 21: 4436-40 (2011) Article DOI: 10.1016/j.bmcl.2011.06.021 BindingDB Entry DOI: 10.7270/Q2Q240KZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50349213 (CHEMBL1808264 | D3RKN_42) Show SMILES CC(C)c1nc(c(s1)-c1ccnc(Nc2ccc(nc2)N2CCOCC2)n1)-c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1 Show InChI InChI=1S/C31H28F3N7O3S2/c1-18(2)30-39-27(19-6-8-21(32)25(16-19)40-46(42,43)29-22(33)4-3-5-23(29)34)28(45-30)24-10-11-35-31(38-24)37-20-7-9-26(36-17-20)41-12-14-44-15-13-41/h3-11,16-18,40H,12-15H2,1-2H3,(H,35,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Oncology CEDD Curated by ChEMBL					Assay Description Inhibition of Lck				Bioorg Med Chem Lett 21: 4436-40 (2011) Article DOI: 10.1016/j.bmcl.2011.06.021 BindingDB Entry DOI: 10.7270/Q2Q240KZ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50300506 ((S)-5-tert-Butyl-3-[7-(1,1-dioxo-1lambda*6*-[1,2]t...) Show SMILES CC(C)(C)[C@@H]1N(Cc2ccc(F)cc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2c1cccc2CN1CCCCS1(=O)=O |r,w:16.17| Show InChI InChI=1S/C27H30FN3O6S2/c1-27(2,3)25-23(32)21(26(33)31(25)15-17-9-11-19(28)12-10-17)22-20-8-6-7-18(24(20)39(36,37)29-22)16-30-13-4-5-14-38(30,34)35/h6-12,25,29H,4-5,13-16H2,1-3H3/t25-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HSV1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5652-6 (2009) Article DOI: 10.1016/j.bmcl.2009.08.022 BindingDB Entry DOI: 10.7270/Q2N016K0
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50300495 (CHEMBL572718 | N-{3-[(S)-5-tert-Butyl-1-(4-fluoro-...) Show SMILES CC(C)(C)[C@@H]1N(Cc2ccc(F)cc2)C(=O)C(C1=O)=C1NS(=O)(=O)c2cc(CNS(C)(=O)=O)ccc12 |r,w:16.17| Show InChI InChI=1S/C24H26FN3O6S2/c1-24(2,3)22-21(29)19(23(30)28(22)13-14-5-8-16(25)9-6-14)20-17-10-7-15(12-26-35(4,31)32)11-18(17)36(33,34)27-20/h5-11,22,26-27H,12-13H2,1-4H3/t22-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HSV1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5652-6 (2009) Article DOI: 10.1016/j.bmcl.2009.08.022 BindingDB Entry DOI: 10.7270/Q2N016K0
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50428286 (DABRAFENIB | GSK2118436A) Show SMILES CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F Show InChI InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Alk5 in TGF-beta-stimulated human HepG2 cells assessed as decrease in Smad2 phosphorylation treated for 45 mins prior to TGF-beta stimu...				ACS Med Chem Lett 4: 358-62 (2013) Article DOI: 10.1021/ml4000063 BindingDB Entry DOI: 10.7270/Q20003FP
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514765 (CHEMBL4549709) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](N(C)C)c1ccccc1 |r| Show InChI InChI=1S/C43H48N8O4/c1-25(2)37(48-43(54)55-5)41(52)50-19-9-13-35(50)39-44-23-33(46-39)27-15-17-29-31(21-27)30-18-16-28(22-32(29)30)34-24-45-40(47-34)36-14-10-20-51(36)42(53)38(49(3)4)26-11-7-6-8-12-26/h6-8,11-12,15-18,21-25,35-38H,9-10,13-14,19-20H2,1-5H3,(H,44,46)(H,45,47)(H,48,54)/t35-,36-,37-,38+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.47	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a con infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514766 (CHEMBL4531684) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)C(=O)[C@@H](NC(=O)OC)[C@@H](C)O |r| Show InChI InChI=1S/C45H54N8O8/c1-22(54)38(50-44(57)60-4)42(55)52-34-10-6-8-26(34)18-36(52)40-46-20-32(48-40)24-12-14-28-30(16-24)29-15-13-25(17-31(28)29)33-21-47-41(49-33)37-19-27-9-7-11-35(27)53(37)43(56)39(23(2)59-3)51-45(58)61-5/h12-17,20-23,26-27,34-39,54H,6-11,18-19H2,1-5H3,(H,46,48)(H,47,49)(H,50,57)(H,51,58)/t22-,23-,26+,27+,34+,35+,36+,37+,38+,39+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.188	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a con infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514767 (CHEMBL4448604) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@H](CO)NC(=O)OC)C(=O)[C@H](CO)NC(=O)OC |r| Show InChI InChI=1S/C42H48N8O8/c1-57-41(55)47-31(19-51)39(53)49-33-7-3-5-23(33)15-35(49)37-43-17-29(45-37)21-9-11-25-27(13-21)26-12-10-22(14-28(25)26)30-18-44-38(46-30)36-16-24-6-4-8-34(24)50(36)40(54)32(20-52)48-42(56)58-2/h9-14,17-18,23-24,31-36,51-52H,3-8,15-16,19-20H2,1-2H3,(H,43,45)(H,44,46)(H,47,55)(H,48,56)/t23-,24-,31-,32-,33-,34-,35-,36-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0550	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514768 (CHEMBL3360467) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H48N8O6/c1-21(2)33(45-39(51)53-5)37(49)47-15-7-9-31(47)35-41-19-29(43-35)23-11-13-25-27(17-23)26-14-12-24(18-28(25)26)30-20-42-36(44-30)32-10-8-16-48(32)38(50)34(22(3)4)46-40(52)54-6/h11-14,17-22,31-34H,7-10,15-16H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00800	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514769 (CHEMBL4548808) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(Cc3cc(ccc-23)-c2cnc([nH]2)[C@@H]2C[C@]3([H])CCC[C@]3([H])N2C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)c1)C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C47H58N8O8/c1-24(60-3)40(52-46(58)62-5)44(56)54-36-11-7-9-28(36)20-38(54)42-48-22-34(50-42)26-13-15-32-30(17-26)19-31-18-27(14-16-33(31)32)35-23-49-43(51-35)39-21-29-10-8-12-37(29)55(39)45(57)41(25(2)61-4)53-47(59)63-6/h13-18,22-25,28-29,36-41H,7-12,19-21H2,1-6H3,(H,48,50)(H,49,51)(H,52,58)(H,53,59)/t24-,25-,28+,29+,36+,37+,38+,39+,40+,41+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0220	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514769 (CHEMBL4548808) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(Cc3cc(ccc-23)-c2cnc([nH]2)[C@@H]2C[C@]3([H])CCC[C@]3([H])N2C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)c1)C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C47H58N8O8/c1-24(60-3)40(52-46(58)62-5)44(56)54-36-11-7-9-28(36)20-38(54)42-48-22-34(50-42)26-13-15-32-30(17-26)19-31-18-27(14-16-33(31)32)35-23-49-43(51-35)39-21-29-10-8-12-37(29)55(39)45(57)41(25(2)61-4)53-47(59)63-6/h13-18,22-25,28-29,36-41H,7-12,19-21H2,1-6H3,(H,48,50)(H,49,51)(H,52,58)(H,53,59)/t24-,25-,28+,29+,36+,37+,38+,39+,40+,41+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0410	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514770 (CHEMBL4476378) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C46H56N8O8/c1-23(59-3)39(51-45(57)61-5)43(55)53-35-11-7-9-27(35)19-37(53)41-47-21-33(49-41)25-13-15-29-31(17-25)30-16-14-26(18-32(29)30)34-22-48-42(50-34)38-20-28-10-8-12-36(28)54(38)44(56)40(24(2)60-4)52-46(58)62-6/h13-18,21-24,27-28,35-40H,7-12,19-20H2,1-6H3,(H,47,49)(H,48,50)(H,51,57)(H,52,58)/t23-,24-,27+,28+,35+,36+,37+,38+,39+,40+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0100	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514771 (CHEMBL4579455) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@H](C)O)C(=O)[C@@H](NC(=O)OC)[C@H](C)O |r| Show InChI InChI=1S/C44H52N8O8/c1-21(53)37(49-43(57)59-3)41(55)51-33-9-5-7-25(33)17-35(51)39-45-19-31(47-39)23-11-13-27-29(15-23)28-14-12-24(16-30(27)28)32-20-46-40(48-32)36-18-26-8-6-10-34(26)52(36)42(56)38(22(2)54)50-44(58)60-4/h11-16,19-22,25-26,33-38,53-54H,5-10,17-18H2,1-4H3,(H,45,47)(H,46,48)(H,49,57)(H,50,58)/t21-,22-,25-,26-,33-,34-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.302	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514772 (CHEMBL4533823) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)O)C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C45H54N8O7/c1-22(2)38(50-44(57)59-4)42(55)52-34-10-6-8-26(34)18-36(52)40-46-20-32(48-40)24-12-14-28-30(16-24)29-15-13-25(17-31(28)29)33-21-47-41(49-33)37-19-27-9-7-11-35(27)53(37)43(56)39(23(3)54)51-45(58)60-5/h12-17,20-23,26-27,34-39,54H,6-11,18-19H2,1-5H3,(H,46,48)(H,47,49)(H,50,57)(H,51,58)/t23-,26+,27+,34+,35+,36+,37+,38+,39+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0130	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514773 (CHEMBL4483702) Show SMILES [H][C@]12C[C@H](N(C(=O)[C@@H](NC(=O)OC)C(C)C)[C@@]1([H])CCCC2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C48H60N8O6/c1-25(2)41(53-47(59)61-5)45(57)55-37-13-9-7-11-29(37)21-39(55)43-49-23-35(51-43)27-15-17-31-33(19-27)32-18-16-28(20-34(31)32)36-24-50-44(52-36)40-22-30-12-8-10-14-38(30)56(40)46(58)42(26(3)4)54-48(60)62-6/h15-20,23-26,29-30,37-42H,7-14,21-22H2,1-6H3,(H,49,51)(H,50,52)(H,53,59)(H,54,60)/t29-,30-,37-,38-,39-,40-,41-,42-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0200	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514774 (CHEMBL4444885) Show SMILES [H][C@]12C[C@H](N(C(=O)[C@@H](NC(=O)OC)C(C)C)[C@@]1([H])CCCC2)c1ncc([nH]1)-c1ccc2-c3cc(ccc3-c2c1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C44H54N8O6/c1-23(2)37(49-43(55)57-5)41(53)51-17-9-12-35(51)39-45-21-32(47-39)25-13-15-28-30(18-25)29-16-14-26(19-31(28)29)33-22-46-40(48-33)36-20-27-10-7-8-11-34(27)52(36)42(54)38(24(3)4)50-44(56)58-6/h13-16,18-19,21-24,27,34-38H,7-12,17,20H2,1-6H3,(H,45,47)(H,46,48)(H,49,55)(H,50,56)/t27-,34-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00900	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514775 (CHEMBL4446161) Show SMILES CN(C)[C@@H](C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](N(C)C)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C46H48N8O2/c1-51(2)41(29-13-7-5-8-14-29)45(55)53-23-11-17-39(53)43-47-27-37(49-43)31-19-21-33-35(25-31)34-22-20-32(26-36(33)34)38-28-48-44(50-38)40-18-12-24-54(40)46(56)42(52(3)4)30-15-9-6-10-16-30/h5-10,13-16,19-22,25-28,39-42H,11-12,17-18,23-24H2,1-4H3,(H,47,49)(H,48,50)/t39-,40-,41+,42+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.248	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514768 (CHEMBL3360467) Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H48N8O6/c1-21(2)33(45-39(51)53-5)37(49)47-15-7-9-31(47)35-41-19-29(43-35)23-11-13-25-27(17-23)26-14-12-24(18-28(25)26)30-20-42-36(44-30)32-10-8-16-48(32)38(50)34(22(3)4)46-40(52)54-6/h11-14,17-22,31-34H,7-10,15-16H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0440	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					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	n/a	n/a	0.0320	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514775 (CHEMBL4446161) Show SMILES CN(C)[C@@H](C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](N(C)C)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C46H48N8O2/c1-51(2)41(29-13-7-5-8-14-29)45(55)53-23-11-17-39(53)43-47-27-37(49-43)31-19-21-33-35(25-31)34-22-20-32(26-36(33)34)38-28-48-44(50-38)40-18-12-24-54(40)46(56)42(52(3)4)30-15-9-6-10-16-30/h5-10,13-16,19-22,25-28,39-42H,11-12,17-18,23-24H2,1-4H3,(H,47,49)(H,48,50)/t39-,40-,41+,42+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0810	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514774 (CHEMBL4444885) Show SMILES [H][C@]12C[C@H](N(C(=O)[C@@H](NC(=O)OC)C(C)C)[C@@]1([H])CCCC2)c1ncc([nH]1)-c1ccc2-c3cc(ccc3-c2c1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C44H54N8O6/c1-23(2)37(49-43(55)57-5)41(53)51-17-9-12-35(51)39-45-21-32(47-39)25-13-15-28-30(18-25)29-16-14-26(19-31(28)29)33-22-46-40(48-33)36-20-27-10-7-8-11-34(27)52(36)42(54)38(24(3)4)50-44(56)58-6/h13-16,18-19,21-24,27,34-38H,7-12,17,20H2,1-6H3,(H,45,47)(H,46,48)(H,49,55)(H,50,56)/t27-,34-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00400	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514776 (CHEMBL4465921) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)C(C)C)C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C46H56N8O6/c1-23(2)39(51-45(57)59-5)43(55)53-35-11-7-9-27(35)19-37(53)41-47-21-33(49-41)25-13-15-29-31(17-25)30-16-14-26(18-32(29)30)34-22-48-42(50-34)38-20-28-10-8-12-36(28)54(38)44(56)40(24(3)4)52-46(58)60-6/h13-18,21-24,27-28,35-40H,7-12,19-20H2,1-6H3,(H,47,49)(H,48,50)(H,51,57)(H,52,58)/t27-,28-,35-,36-,37-,38-,39-,40-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00300	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514767 (CHEMBL4448604) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@H](CO)NC(=O)OC)C(=O)[C@H](CO)NC(=O)OC |r| Show InChI InChI=1S/C42H48N8O8/c1-57-41(55)47-31(19-51)39(53)49-33-7-3-5-23(33)15-35(49)37-43-17-29(45-37)21-9-11-25-27(13-21)26-12-10-22(14-28(25)26)30-18-44-38(46-30)36-16-24-6-4-8-34(24)50(36)40(54)32(20-52)48-42(56)58-2/h9-14,17-18,23-24,31-36,51-52H,3-8,15-16,19-20H2,1-2H3,(H,43,45)(H,44,46)(H,47,55)(H,48,56)/t23-,24-,31-,32-,33-,34-,35-,36-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00900	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514772 (CHEMBL4533823) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)O)C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C45H54N8O7/c1-22(2)38(50-44(57)59-4)42(55)52-34-10-6-8-26(34)18-36(52)40-46-20-32(48-40)24-12-14-28-30(16-24)29-15-13-25(17-31(28)29)33-21-47-41(49-33)37-19-27-9-7-11-35(27)53(37)43(56)39(23(3)54)51-45(58)60-5/h12-17,20-23,26-27,34-39,54H,6-11,18-19H2,1-5H3,(H,46,48)(H,47,49)(H,50,57)(H,51,58)/t23-,26+,27+,34+,35+,36+,37+,38+,39+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00600	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514771 (CHEMBL4579455) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@H](C)O)C(=O)[C@@H](NC(=O)OC)[C@H](C)O |r| Show InChI InChI=1S/C44H52N8O8/c1-21(53)37(49-43(57)59-3)41(55)51-33-9-5-7-25(33)17-35(51)39-45-19-31(47-39)23-11-13-27-29(15-23)28-14-12-24(16-30(27)28)32-20-46-40(48-32)36-18-26-8-6-10-34(26)52(36)42(56)38(22(2)54)50-44(58)60-4/h11-16,19-22,25-26,33-38,53-54H,5-10,17-18H2,1-4H3,(H,45,47)(H,46,48)(H,49,57)(H,50,58)/t21-,22-,25-,26-,33-,34-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0100	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514770 (CHEMBL4476378) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C46H56N8O8/c1-23(59-3)39(51-45(57)61-5)43(55)53-35-11-7-9-27(35)19-37(53)41-47-21-33(49-41)25-13-15-29-31(17-25)30-16-14-26(18-32(29)30)34-22-48-42(50-34)38-20-28-10-8-12-36(28)54(38)44(56)40(24(2)60-4)52-46(58)62-6/h13-18,21-24,27-28,35-40H,7-12,19-20H2,1-6H3,(H,47,49)(H,48,50)(H,51,57)(H,52,58)/t23-,24-,27+,28+,35+,36+,37+,38+,39+,40+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00800	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514777 (CHEMBL4561734) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc2Cc3cc(ccc3Cc2c1)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C48H60N8O8/c1-25(61-3)41(53-47(59)63-5)45(57)55-37-11-7-9-31(37)21-39(55)43-49-23-35(51-43)29-15-13-27-18-34-20-30(16-14-28(34)17-33(27)19-29)36-24-50-44(52-36)40-22-32-10-8-12-38(32)56(40)46(58)42(26(2)62-4)54-48(60)64-6/h13-16,19-20,23-26,31-32,37-42H,7-12,17-18,21-22H2,1-6H3,(H,49,51)(H,50,52)(H,53,59)(H,54,60)/t25-,26-,31+,32+,37+,38+,39+,40+,41+,42+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0200	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514778 (CHEMBL4466702) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc2c(c1)n(C)c1cc(ccc21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C47H59N9O8/c1-24(61-4)40(52-46(59)63-6)44(57)55-34-12-8-10-28(34)20-38(55)42-48-22-32(50-42)26-14-16-30-31-17-15-27(19-37(31)54(3)36(30)18-26)33-23-49-43(51-33)39-21-29-11-9-13-35(29)56(39)45(58)41(25(2)62-5)53-47(60)64-7/h14-19,22-25,28-29,34-35,38-41H,8-13,20-21H2,1-7H3,(H,48,50)(H,49,51)(H,52,59)(H,53,60)/t24-,25-,28+,29+,34+,35+,38+,39+,40+,41+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0280	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514779 (CHEMBL4472037) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc2-c3ccc(cc3S(=O)(=O)c2c1)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C46H56N8O10S/c1-23(61-3)39(51-45(57)63-5)43(55)53-33-11-7-9-27(33)17-35(53)41-47-21-31(49-41)25-13-15-29-30-16-14-26(20-38(30)65(59,60)37(29)19-25)32-22-48-42(50-32)36-18-28-10-8-12-34(28)54(36)44(56)40(24(2)62-4)52-46(58)64-6/h13-16,19-24,27-28,33-36,39-40H,7-12,17-18H2,1-6H3,(H,47,49)(H,48,50)(H,51,57)(H,52,58)/t23-,24-,27+,28+,33+,34+,35+,36+,39+,40+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0280	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514780 (CHEMBL4471986) Show SMILES [H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc2Oc3cc(ccc3Oc2c1)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC |r| Show InChI InChI=1S/C46H56N8O10/c1-23(59-3)39(51-45(57)61-5)43(55)53-31-11-7-9-27(31)17-33(53)41-47-21-29(49-41)25-13-15-35-37(19-25)63-36-16-14-26(20-38(36)64-35)30-22-48-42(50-30)34-18-28-10-8-12-32(28)54(34)44(56)40(24(2)60-4)52-46(58)62-6/h13-16,19-24,27-28,31-34,39-40H,7-12,17-18H2,1-6H3,(H,47,49)(H,48,50)(H,51,57)(H,52,58)/t23-,24-,27+,28+,31+,32+,33+,34+,39+,40+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.00700	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					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	n/a	n/a	52.8	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a con infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514775 (CHEMBL4446161) Show SMILES CN(C)[C@@H](C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](N(C)C)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C46H48N8O2/c1-51(2)41(29-13-7-5-8-14-29)45(55)53-23-11-17-39(53)43-47-27-37(49-43)31-19-21-33-35(25-31)34-22-20-32(26-36(33)34)38-28-48-44(50-38)40-18-12-24-54(40)46(56)42(52(3)4)30-15-9-6-10-16-30/h5-10,13-16,19-22,25-28,39-42H,11-12,17-18,23-24H2,1-4H3,(H,47,49)(H,48,50)/t39-,40-,41+,42+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.327	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a con infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514774 (CHEMBL4444885) Show SMILES [H][C@]12C[C@H](N(C(=O)[C@@H](NC(=O)OC)C(C)C)[C@@]1([H])CCCC2)c1ncc([nH]1)-c1ccc2-c3cc(ccc3-c2c1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C44H54N8O6/c1-23(2)37(49-43(55)57-5)41(53)51-17-9-12-35(51)39-45-21-32(47-39)25-13-15-28-30(18-25)29-16-14-26(19-31(28)29)33-22-46-40(48-33)36-20-27-10-7-8-11-34(27)52(36)42(54)38(24(3)4)50-44(56)58-6/h13-16,18-19,21-24,27,34-38H,7-12,17,20H2,1-6H3,(H,45,47)(H,46,48)(H,49,55)(H,50,56)/t27-,34-,35-,36-,37-,38-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	12.2	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a con infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514773 (CHEMBL4483702) Show SMILES [H][C@]12C[C@H](N(C(=O)[C@@H](NC(=O)OC)C(C)C)[C@@]1([H])CCCC2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C48H60N8O6/c1-25(2)41(53-47(59)61-5)45(57)55-37-13-9-7-11-29(37)21-39(55)43-49-23-35(51-43)27-15-17-31-33(19-27)32-18-16-28(20-34(31)32)36-24-50-44(52-36)40-22-30-12-8-10-14-38(30)56(40)46(58)42(26(3)4)54-48(60)62-6/h15-20,23-26,29-30,37-42H,7-14,21-22H2,1-6H3,(H,49,51)(H,50,52)(H,53,59)(H,54,60)/t29-,30-,37-,38-,39-,40-,41-,42-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.33	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a con infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair

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