Compile Data Set for Download or QSAR

Found 972 hits of ic50 data for polymerid = 253,50003719,50003882,50006695,5179,5408,5492,6868   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307542 (5-(3-((2-(1,2,4-Oxadiazol-3-yl)propan-2-yl)carbamo...) Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H29FN4O6/c1-6-40-24-15-25-21(26(29(38)33-4)27(42-25)17-7-10-19(32)11-8-17)14-20(24)18-9-12-23(39-5)22(13-18)28(37)35-31(2,3)30-34-16-41-36-30/h7-16H,6H2,1-5H3,(H,33,38)(H,35,37)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.603	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
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))	BDBM307547 (BDBM307549 | N-(2-(1,2,4-oxadiazol-3-yl)propan-2-y...) Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cnc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H28FN5O6/c1-6-40-22-13-23-20(24(27(38)32-4)25(42-23)16-7-9-18(31)10-8-16)12-19(22)17-11-21(28(39-5)33-14-17)26(37)35-30(2,3)29-34-15-41-36-29/h7-15H,6H2,1-5H3,(H,32,38)(H,35,37)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.52	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307550 (N-(2-cyanopropan-2-yl)-5-(6-ethoxy-2-(4-fluorophen...) Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cnc(OC)c(c1)C(=O)NC(C)(C)C#N)-c1ccc(F)cc1 Show InChI InChI=1S/C29H27FN4O5/c1-6-38-22-13-23-20(24(27(36)32-4)25(39-23)16-7-9-18(30)10-8-16)12-19(22)17-11-21(28(37-5)33-14-17)26(35)34-29(2,3)15-31/h7-14H,6H2,1-5H3,(H,32,36)(H,34,35)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.84	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307545 (6-Ethoxy-2-(4-fluorophenyl)-5-(4-methoxy-3-((1-(py...) Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H29FN4O5/c1-4-42-26-18-27-23(28(31(40)35-2)29(43-27)19-6-9-21(34)10-7-19)17-22(26)20-8-11-25(41-3)24(16-20)30(39)38-33(12-13-33)32-36-14-5-15-37-32/h5-11,14-18H,4,12-13H2,1-3H3,(H,35,40)(H,38,39)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.89	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50301911 (CHEMBL583269 | 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)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)C1Cl |r,t:21| Show InChI InChI=1S/C24H25ClFN3O6S2/c1-24(2,3)21-20(30)18(23(31)29(21)12-13-5-7-14(26)8-6-13)19-22(25)37(34,35)17-11-15(28-36(4,32)33)9-10-16(17)27-19/h5-11,18,21-22,28H,12H2,1-4H3/t18?,21-,22?/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of HSV 1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5648-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.023 BindingDB Entry DOI: 10.7270/Q2T72HJM
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307561 (5-(3-((2-cyanopropan-2-yl)carbamoyl)-4-(methoxy-d3...) Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC(C)(C)C#N)-c1ccc(F)cc1 Show InChI InChI=1S/C30H28FN3O5/c1-6-38-24-15-25-21(26(29(36)33-4)27(39-25)17-7-10-19(31)11-8-17)14-20(24)18-9-12-23(37-5)22(13-18)28(35)34-30(2,3)16-32/h7-15H,6H2,1-5H3,(H,33,36)(H,34,35)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.04	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307566 (5-(3-((2-(1,2,4-thiadiazol-3-yl)propan-2-yl)carbam...) Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncsn1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H29FN4O5S/c1-6-40-24-15-25-21(26(29(38)33-4)27(41-25)17-7-10-19(32)11-8-17)14-20(24)18-9-12-23(39-5)22(13-18)28(37)35-31(2,3)30-34-16-42-36-30/h7-16H,6H2,1-5H3,(H,33,38)(H,35,37)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.04	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM149222 (US8962651, 4) Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC1(CCC1)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H25F4N5O4/c1-36-27(42)24-22-15-21(18-4-2-5-19(14-18)26(41)39-30(11-3-12-30)29-37-16-43-40-29)23(10-13-31(33,34)35)38-28(22)44-25(24)17-6-8-20(32)9-7-17/h2,4-9,14-16H,3,10-13H2,1H3,(H,36,42)(H,39,41)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.05	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...				US Patent US8962651 (2015) BindingDB Entry DOI: 10.7270/Q23R0RM9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307542 (5-(3-((2-(1,2,4-Oxadiazol-3-yl)propan-2-yl)carbamo...) Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H29FN4O6/c1-6-40-24-15-25-21(26(29(38)33-4)27(42-25)17-7-10-19(32)11-8-17)14-20(24)18-9-12-23(39-5)22(13-18)28(37)35-31(2,3)30-34-16-41-36-30/h7-16H,6H2,1-5H3,(H,33,38)(H,35,37)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM149221 (US8962651, 1) Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H25F4N5O4/c1-29(2,28-36-15-42-39-28)38-25(40)18-6-4-5-17(13-18)20-14-21-23(26(41)35-3)24(16-7-9-19(31)10-8-16)43-27(21)37-22(20)11-12-30(32,33)34/h4-10,13-15H,11-12H2,1-3H3,(H,35,41)(H,38,40)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.32	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...				US Patent US8962651 (2015) BindingDB Entry DOI: 10.7270/Q23R0RM9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM47174 (US8962651, 17) Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cnc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H26F4N6O5/c1-29(2,28-37-14-44-40-28)39-24(41)20-11-16(13-36-26(20)43-4)18-12-19-22(25(42)35-3)23(15-5-7-17(31)8-6-15)45-27(19)38-21(18)9-10-30(32,33)34/h5-8,11-14H,9-10H2,1-4H3,(H,35,42)(H,39,41)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...				US Patent US8962651 (2015) BindingDB Entry DOI: 10.7270/Q23R0RM9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307558 (5-(3-((2-(1,2,4-oxadiazol-3-yl)propan-2-yl)carbamo...) Show SMILES CCCOc1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H31FN4O6/c1-6-13-41-25-16-26-22(27(30(39)34-4)28(43-26)18-7-10-20(33)11-8-18)15-21(25)19-9-12-24(40-5)23(14-19)29(38)36-32(2,3)31-35-17-42-37-31/h7-12,14-17H,6,13H2,1-5H3,(H,34,39)(H,36,38)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.48	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307548 (N-(bicyclo[1.1.1]pentan-1-yl)-5-(6-ethoxy-2-(4-flu...) Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cnc(OC)c(c1)C(=O)NC12CC11CC1C2)-c1ccc(F)cc1 Show InChI InChI=1S/C31H28FN3O5/c1-4-39-23-11-24-21(25(28(37)33-2)26(40-24)16-5-7-19(32)8-6-16)10-20(23)17-9-22(29(38-3)34-14-17)27(36)35-31-13-18-12-30(18,31)15-31/h5-11,14,18H,4,12-13,15H2,1-3H3,(H,33,37)(H,35,36)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.48	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307546 (5-(6-Ethoxy-2-(4-fluorophenyl)-3-(methylcarbamoyl)...) Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cnc(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H28FN5O5/c1-4-42-24-16-25-22(26(29(40)34-2)27(43-25)18-6-8-20(33)9-7-18)15-21(24)19-14-23(30(41-3)37-17-19)28(39)38-32(10-11-32)31-35-12-5-13-36-31/h5-9,12-17H,4,10-11H2,1-3H3,(H,34,40)(H,38,39)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.72	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307547 (BDBM307549 | N-(2-(1,2,4-oxadiazol-3-yl)propan-2-y...) Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cnc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H28FN5O6/c1-6-40-22-13-23-20(24(27(38)32-4)25(42-23)16-7-9-18(31)10-8-16)12-19(22)17-11-21(28(39-5)33-14-17)26(37)35-30(2,3)29-34-15-41-36-29/h7-15H,6H2,1-5H3,(H,32,38)(H,35,37)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.73	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307551 (5-(3-((2-(1,2,4-oxadiazol-3-yl)propan-2-yl)carbamo...) Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H26F4N4O6/c1-30(2,29-37-15-44-39-29)38-27(40)21-11-17(7-10-22(21)42-4)19-12-20-24(13-23(19)43-14-31(33,34)35)45-26(25(20)28(41)36-3)16-5-8-18(32)9-6-16/h5-13,15H,14H2,1-4H3,(H,36,41)(H,38,40)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.83	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM149225 (US8962651, 9) Show SMILES CNC(=O)c1c(oc2nc(CCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)c1nc(C)no1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H27F4N5O4/c1-16-37-29(44-40-16)30(2,3)39-26(41)19-7-5-6-18(14-19)21-15-22-24(27(42)36-4)25(17-8-10-20(32)11-9-17)43-28(22)38-23(21)12-13-31(33,34)35/h5-11,14-15H,12-13H2,1-4H3,(H,36,42)(H,39,41)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.87	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...				US Patent US8962651 (2015) BindingDB Entry DOI: 10.7270/Q23R0RM9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307562 (5-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)-6-(2,2,2...) Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1cnc(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H25F4N5O5/c1-37-28(43)25-21-13-20(23(45-16-32(34,35)36)14-24(21)46-26(25)17-4-6-19(33)7-5-17)18-12-22(29(44-2)40-15-18)27(42)41-31(8-9-31)30-38-10-3-11-39-30/h3-7,10-15H,8-9,16H2,1-2H3,(H,37,43)(H,41,42)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.95	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					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 genotype 1b (isolate BK) (HCV))	BDBM203919 (US9242988, 1) Show SMILES C[C@@]1(C#N)[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@H]1c1ccc2c(N)ncnn12 |r| Show InChI InChI=1S/C13H18N5O12P3/c1-13(5-14)10(19)9(4-27-32(23,24)30-33(25,26)29-31(20,21)22)28-11(13)7-2-3-8-12(15)16-6-17-18(7)8/h2-3,6,9-11,19H,4H2,1H3,(H,23,24)(H,25,26)(H2,15,16,17)(H2,20,21,22)/p-4/t9-,10-,11+,13-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.3	25
Merck Sharp & Dohme Corp. US Patent					Assay Description To measure inhibition of the enzymatic activity of the HCV NS5B RNA-dependent RNA polymerase by the nucleoside triphosphate compounds of the present ...				US Patent US9242988 (2016) BindingDB Entry DOI: 10.7270/Q22B8WVP
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50301902 (CHEMBL571825 | N-{3-[(S)-5-tert-Butyl-1-(4-fluoro-...) Show SMILES Cc1cc(CN2[C@H](C(=O)C(C2=O)C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)C(C)(C)C)ccc1F |r,t:13| Show InChI InChI=1S/C25H28FN3O6S2/c1-14-10-15(6-8-17(14)26)12-29-23(25(2,3)4)22(30)21(24(29)31)19-13-37(34,35)20-11-16(28-36(5,32)33)7-9-18(20)27-19/h6-11,21,23,28H,12-13H2,1-5H3/t21?,23-/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 HSV 1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5648-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.023 BindingDB Entry DOI: 10.7270/Q2T72HJM
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307543 (5-(3-((2-Cyanopropan-2-yl)carbamoyl)phenyl)-2-(4-f...) Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)C#N)-c1ccc(F)cc1 Show InChI InChI=1S/C29H23F4N3O4/c1-28(2,14-34)36-26(37)18-6-4-5-17(11-18)20-12-21-23(13-22(20)39-15-29(31,32)33)40-25(24(21)27(38)35-3)16-7-9-19(30)10-8-16/h4-13H,15H2,1-3H3,(H,35,38)(H,36,37)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.02	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307539 (5-(3-((2-(1,2,4-Oxadiazol-3-yl)propan-2-yl)carbamo...) Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H27FN4O5/c1-5-38-23-15-24-22(25(28(37)32-4)26(40-24)17-9-11-20(31)12-10-17)14-21(23)18-7-6-8-19(13-18)27(36)34-30(2,3)29-33-16-39-35-29/h6-16H,5H2,1-4H3,(H,32,37)(H,34,36)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.31	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM149227 (US8962651, 13) Show SMILES CNC(=O)c1c(oc2nc(NCC(F)(F)F)c(cc12)-c1ccc(F)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H23F5N6O4/c1-28(2,27-37-13-43-40-27)39-24(41)18-10-15(6-9-20(18)31)17-11-19-21(25(42)35-3)22(14-4-7-16(30)8-5-14)44-26(19)38-23(17)36-12-29(32,33)34/h4-11,13H,12H2,1-3H3,(H,35,42)(H,36,38)(H,39,41)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.42	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...				US Patent US8962651 (2015) BindingDB Entry DOI: 10.7270/Q23R0RM9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307537 (5-(3-(Bicyclo[1.1.1]pentan-1-ylcarbamoyl)-4-fluoro...) Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1ccc(F)c(c1)C(=O)NC12CC(C1)C2)-c1ccc(F)cc1 Show InChI InChI=1S/C30H23F5N2O4/c1-36-28(39)25-21-9-19(17-4-7-22(32)20(8-17)27(38)37-29-11-15(12-29)13-29)23(40-14-30(33,34)35)10-24(21)41-26(25)16-2-5-18(31)6-3-16/h2-10,15H,11-14H2,1H3,(H,36,39)(H,37,38)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.88	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307567 (5-(3-((2-(1,2,4-Oxadiazol-3-yl)propan-2-yl)carbamo...) Show SMILES CNC(=O)c1c(oc2cc(OCCO)c(cc12)-c1ccc(OC)c(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C31H29FN4O7/c1-31(2,30-34-16-42-36-30)35-28(38)22-13-18(7-10-23(22)40-4)20-14-21-25(15-24(20)41-12-11-37)43-27(26(21)29(39)33-3)17-5-8-19(32)9-6-17/h5-10,13-16,37H,11-12H2,1-4H3,(H,33,39)(H,35,38)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.89	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					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))	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))	BDBM50301903 (CHEMBL569120 | N-{3-[(S)-5-tert-Butyl-1-(4-fluoro-...) Show SMILES COc1cc(CN2[C@H](C(=O)C(C2=O)C2=Nc3ccc(NS(C)(=O)=O)cc3S(=O)(=O)C2)C(C)(C)C)ccc1F |r,t:14| Show InChI InChI=1S/C25H28FN3O7S2/c1-25(2,3)23-22(30)21(24(31)29(23)12-14-6-8-16(26)19(10-14)36-4)18-13-38(34,35)20-11-15(28-37(5,32)33)7-9-17(20)27-18/h6-11,21,23,28H,12-13H2,1-5H3/t21?,23-/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 HSV 1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5648-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.023 BindingDB Entry DOI: 10.7270/Q2T72HJM
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50301914 (CHEMBL570249 | N-{2-Acetyl-3-[(S)-5-tert-butyl-1-(...) Show SMILES CC(=O)C1C(=Nc2ccc(NS(C)(=O)=O)cc2S1(=O)=O)C1C(=O)[C@@H](N(Cc2ccc(F)cc2)C1=O)C(C)(C)C |r,c:4| Show InChI InChI=1S/C26H28FN3O7S2/c1-14(31)23-21(28-18-11-10-17(29-38(5,34)35)12-19(18)39(23,36)37)20-22(32)24(26(2,3)4)30(25(20)33)13-15-6-8-16(27)9-7-15/h6-12,20,23-24,29H,13H2,1-5H3/t20?,23?,24-/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 HSV 1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5648-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.023 BindingDB Entry DOI: 10.7270/Q2T72HJM
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM149223 (US8962651, 7) Show SMILES CNC(=O)c1c(oc2nc(NCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)c1nc(C)no1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H26F4N6O4/c1-15-37-28(44-40-15)29(2,3)39-25(41)18-7-5-6-17(12-18)20-13-21-22(26(42)35-4)23(16-8-10-19(31)11-9-16)43-27(21)38-24(20)36-14-30(32,33)34/h5-13H,14H2,1-4H3,(H,35,42)(H,36,38)(H,39,41)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.13	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...				US Patent US8962651 (2015) BindingDB Entry DOI: 10.7270/Q23R0RM9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307535 (2-(4-Fluorophenyl)-5-(4-methoxy-3-((1-(pyrimidin-2...) Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1ccc(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H26F4N4O5/c1-38-30(43)27-22-15-21(25(45-17-33(35,36)37)16-26(22)46-28(27)18-4-7-20(34)8-5-18)19-6-9-24(44-2)23(14-19)29(42)41-32(10-11-32)31-39-12-3-13-40-31/h3-9,12-16H,10-11,17H2,1-2H3,(H,38,43)(H,41,42)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.15	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307552 (5-(3-((2-(1,2,4-Oxadiazol-3-yl)propan-2-yl)carbamo...) Show SMILES CNC(=O)c1c(oc2cc(OCC(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H25F3N4O5/c1-30(2,29-35-15-41-37-29)36-27(38)18-6-4-5-17(11-18)20-12-21-23(13-22(20)40-14-24(32)33)42-26(25(21)28(39)34-3)16-7-9-19(31)10-8-16/h4-13,15,24H,14H2,1-3H3,(H,34,39)(H,36,38)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307538 (5-(3-(Bicyclo[1.1.1]pentan-1-ylcarbamoyl)phenyl)-6...) Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC12CC(C1)C2)-c1ccc(F)cc1 Show InChI InChI=1S/C30H27FN2O4/c1-3-36-24-13-25-23(26(29(35)32-2)27(37-25)18-7-9-21(31)10-8-18)12-22(24)19-5-4-6-20(11-19)28(34)33-30-14-17(15-30)16-30/h4-13,17H,3,14-16H2,1-2H3,(H,32,35)(H,33,34)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307536 (5-(4-Fluoro-3-((1-(pyrimidin-2-yl)cyclopropyl)carb...) Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1ccc(F)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H23F5N4O4/c1-38-29(43)26-22-14-20(24(44-16-32(35,36)37)15-25(22)45-27(26)17-3-6-19(33)7-4-17)18-5-8-23(34)21(13-18)28(42)41-31(9-10-31)30-39-11-2-12-40-30/h2-8,11-15H,9-10,16H2,1H3,(H,38,43)(H,41,42)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.38	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307554 (5-(3-((2-(1,2,4-oxadiazol-3-yl)propan-2-yl)carbamo...) Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H24F4N4O5/c1-29(2,28-36-15-42-38-28)37-26(39)18-6-4-5-17(11-18)20-12-21-23(13-22(20)41-14-30(32,33)34)43-25(24(21)27(40)35-3)16-7-9-19(31)10-8-16/h4-13,15H,14H2,1-3H3,(H,35,40)(H,37,39)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.49	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307553 (6-(2,2-difluoroethoxy)-2-(4-fluorophenyl)-N-methyl...) Show SMILES CNC(=O)c1c(oc2cc(OCC(F)F)c(cc12)-c1cccc(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H25F3N4O4/c1-36-30(41)27-23-15-22(24(42-17-26(34)35)16-25(23)43-28(27)18-6-8-21(33)9-7-18)19-4-2-5-20(14-19)29(40)39-32(10-11-32)31-37-12-3-13-38-31/h2-9,12-16,26H,10-11,17H2,1H3,(H,36,41)(H,39,40)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.54	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM149224 (US8962651, 8) Show SMILES CNC(=O)c1c(oc2nc(NCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC1(CC1)c1nc(C)no1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H24F4N6O4/c1-15-37-28(44-40-15)29(10-11-29)39-25(41)18-5-3-4-17(12-18)20-13-21-22(26(42)35-2)23(16-6-8-19(31)9-7-16)43-27(21)38-24(20)36-14-30(32,33)34/h3-9,12-13H,10-11,14H2,1-2H3,(H,35,42)(H,36,38)(H,39,41)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	7.5	25
Bristol-Myers Squibb Company US Patent					Assay Description An on-bead solid phase homogeneous assay was used in a 384-well format to assess NS5B inhibitors (WangY-K, Rigat K, Roberts S, and Gao M (2006) Anal ...				US Patent US8962651 (2015) BindingDB Entry DOI: 10.7270/Q23R0RM9
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307541 (5-(3-((1-Cyanocyclopropyl)carbamoyl)phenyl)-2-(4-f...) Show SMILES CNC(=O)c1c(oc2cc(OCC(F)(F)F)c(cc12)-c1cccc(c1)C(=O)NC1(CC1)C#N)-c1ccc(F)cc1 Show InChI InChI=1S/C29H21F4N3O4/c1-35-27(38)24-21-12-20(17-3-2-4-18(11-17)26(37)36-28(14-34)9-10-28)22(39-15-29(31,32)33)13-23(21)40-25(24)16-5-7-19(30)8-6-16/h2-8,11-13H,9-10,15H2,1H3,(H,35,38)(H,36,37)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.97	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50301901 (CHEMBL570934 | N-{3-[(S)-5-tert-Butyl-1-(3-chloro-...) Show SMILES CC(C)(C)[C@@H]1N(Cc2ccc(F)c(Cl)c2)C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)C1 |r,t:22| Show InChI InChI=1S/C24H25ClFN3O6S2/c1-24(2,3)22-21(30)20(23(31)29(22)11-13-5-7-16(26)15(25)9-13)18-12-37(34,35)19-10-14(28-36(4,32)33)6-8-17(19)27-18/h5-10,20,22,28H,11-12H2,1-4H3/t20?,22-/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 HSV 1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5648-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.023 BindingDB Entry DOI: 10.7270/Q2T72HJM
					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))	BDBM50301906 (CHEMBL571606 | N-{3-[(S)-5-tert-Butyl-4-hydroxy-1-...) Show SMILES CC(C)CCN1[C@H](C(=O)C(C1=O)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)C1)C(C)(C)C |r,t:13| Show InChI InChI=1S/C22H31N3O6S2/c1-13(2)9-10-25-20(22(3,4)5)19(26)18(21(25)27)16-12-33(30,31)17-11-14(24-32(6,28)29)7-8-15(17)23-16/h7-8,11,13,18,20,24H,9-10,12H2,1-6H3/t18?,20-/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 HSV 1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5648-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.023 BindingDB Entry DOI: 10.7270/Q2T72HJM
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307539 (5-(3-((2-(1,2,4-Oxadiazol-3-yl)propan-2-yl)carbamo...) Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC(C)(C)c1ncon1)-c1ccc(F)cc1 Show InChI InChI=1S/C30H27FN4O5/c1-5-38-23-15-24-22(25(28(37)32-4)26(40-24)17-9-11-20(31)12-10-17)14-21(23)18-7-6-8-19(13-18)27(36)34-30(2,3)29-33-16-39-35-29/h6-16H,5H2,1-4H3,(H,32,37)(H,34,36)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.05	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM307540 (6-Ethoxy-2-(4-fluorophenyl)-N-methyl-5-(3-((1-(pyr...) Show SMILES CCOc1cc2oc(c(C(=O)NC)c2cc1-c1cccc(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1 Show InChI InChI=1S/C32H27FN4O4/c1-3-40-25-18-26-24(27(30(39)34-2)28(41-26)19-8-10-22(33)11-9-19)17-23(25)20-6-4-7-21(16-20)29(38)37-32(12-13-32)31-35-14-5-15-36-31/h4-11,14-18H,3,12-13H2,1-2H3,(H,34,39)(H,37,38)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.78	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description To evaluate compound efficacy, titrated compounds were transferred to sterile 384-well tissue culture treated plates, and the plates were seeded with...				US Patent US10150747 (2018) BindingDB Entry DOI: 10.7270/Q2H70HWJ
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C virus (HCV))	BDBM50301913 (CHEMBL571564 | 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)C1=Nc2ccc(NS(C)(=O)=O)cc2S(=O)(=O)C1C#N |r,t:21| Show InChI InChI=1S/C25H25FN4O6S2/c1-25(2,3)23-22(31)20(24(32)30(23)13-14-5-7-15(26)8-6-14)21-19(12-27)38(35,36)18-11-16(29-37(4,33)34)9-10-17(18)28-21/h5-11,19-20,23,29H,13H2,1-4H3/t19?,20?,23-/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 HSV 1b con1 NS5B polymerase assessed as [3H]UTP incorporation into acid insoluble RNA product				Bioorg Med Chem Lett 19: 5648-51 (2009) Article DOI: 10.1016/j.bmcl.2009.08.023 BindingDB Entry DOI: 10.7270/Q2T72HJM
					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

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