Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 758   

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
Large envelope protein (Hepatitis B virus)	BDBM289746 (US10093671, Example 15) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCC1CC1 Show InChI InChI=1S/C23H21NO5S/c1-28-20-9-15-14(8-21(20)29-12-13-4-5-13)7-18(22-3-2-6-30-22)24-11-16(23(26)27)19(25)10-17(15)24/h2-3,6,8-11,13,18H,4-5,7,12H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289745 (US10093671, Example 14) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCC(C)C Show InChI InChI=1S/C23H23NO5S/c1-13(2)12-29-21-8-14-7-18(22-5-4-6-30-22)24-11-16(23(26)27)19(25)10-17(24)15(14)9-20(21)28-3/h4-6,8-11,13,18H,7,12H2,1-3H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289758 (US10093671, Example 27) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCC(F)(F)F Show InChI InChI=1S/C21H16F3NO5S/c1-29-17-7-12-11(6-18(17)30-10-21(22,23)24)5-15(19-3-2-4-31-19)25-9-13(20(27)28)16(26)8-14(12)25/h2-4,6-9,15H,5,10H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289734 (US10093671, Example 3) Show SMILES COCCCOc1cc2CC(c3cccs3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C23H23NO6S/c1-28-6-4-7-30-21-10-14-9-18(22-5-3-8-31-22)24-13-16(23(26)27)19(25)12-17(24)15(14)11-20(21)29-2/h3,5,8,10-13,18H,4,6-7,9H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289767 (US10093671, Example 36) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1N1CCCC1 Show InChI InChI=1S/C23H22N2O4S/c1-29-21-11-15-14(9-18(21)24-6-2-3-7-24)10-19(22-5-4-8-30-22)25-13-16(23(27)28)20(26)12-17(15)25/h4-5,8-9,11-13,19H,2-3,6-7,10H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289756 (US10093671, Example 25) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCCCCO Show InChI InChI=1S/C25H27NO6S/c1-31-22-13-17-16(12-23(22)32-9-5-3-2-4-8-27)11-20(24-7-6-10-33-24)26-15-18(25(29)30)21(28)14-19(17)26/h6-7,10,12-15,20,27H,2-5,8-9,11H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289762 (US10093671, Example 31) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCSC Show InChI InChI=1S/C23H23NO5S2/c1-28-20-11-15-14(10-21(20)29-6-4-7-30-2)9-18(22-5-3-8-31-22)24-13-16(23(26)27)19(25)12-17(15)24/h3,5,8,10-13,18H,4,6-7,9H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289757 (US10093671, Example 26) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCC(C)(C)CO Show InChI InChI=1S/C24H25NO6S/c1-24(2,12-26)13-31-21-8-14-7-18(22-5-4-6-32-22)25-11-16(23(28)29)19(27)10-17(25)15(14)9-20(21)30-3/h4-6,8-11,18,26H,7,12-13H2,1-3H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289750 (US10093671, Example 19) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCC[N+]#[C-] Show InChI InChI=1S/C23H20N2O5S/c1-24-6-4-7-30-21-10-14-9-18(22-5-3-8-31-22)25-13-16(23(27)28)19(26)12-17(25)15(14)11-20(21)29-2/h3,5,8,10-13,18H,4,6-7,9H2,2H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289743 (US10093671, Example 12) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCc1ccccc1 Show InChI InChI=1S/C26H21NO5S/c1-31-23-12-18-17(11-24(23)32-15-16-6-3-2-4-7-16)10-21(25-8-5-9-33-25)27-14-19(26(29)30)22(28)13-20(18)27/h2-9,11-14,21H,10,15H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289744 (US10093671, Example 13) Show SMILES COc1cc2CC(c3cccs3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C20H17NO5S/c1-25-17-7-11-6-15(19-4-3-5-27-19)21-10-13(20(23)24)16(22)9-14(21)12(11)8-18(17)26-2/h3-5,7-10,15H,6H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289752 (US10093671, Example 21) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCCCCNC(=O)OC(C)(C)C Show InChI InChI=1S/C30H36N2O7S/c1-30(2,3)39-29(36)31-11-7-5-6-8-12-38-26-15-19-14-23(27-10-9-13-40-27)32-18-21(28(34)35)24(33)17-22(32)20(19)16-25(26)37-4/h9-10,13,15-18,23H,5-8,11-12,14H2,1-4H3,(H,31,36)(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289747 (US10093671, Example 16) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCn1cccn1 Show InChI InChI=1S/C25H23N3O5S/c1-32-22-13-17-16(12-23(22)33-9-4-8-27-7-3-6-26-27)11-20(24-5-2-10-34-24)28-15-18(25(30)31)21(29)14-19(17)28/h2-3,5-7,10,12-15,20H,4,8-9,11H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289738 (US10093671, Example 7) Show SMILES COCCCOc1cc2CC(c3cc(C)cs3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C24H25NO6S/c1-14-7-23(32-13-14)19-8-15-9-22(31-6-4-5-29-2)21(30-3)10-16(15)18-11-20(26)17(24(27)28)12-25(18)19/h7,9-13,19H,4-6,8H2,1-3H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289741 (US10093671, Example 10) Show SMILES COCCCOc1cc2CC(c3ccccc3C)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C26H27NO6/c1-16-7-4-5-8-18(16)21-11-17-12-25(33-10-6-9-31-2)24(32-3)13-19(17)22-14-23(28)20(26(29)30)15-27(21)22/h4-5,7-8,12-15,21H,6,9-11H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289759 (US10093671, Example 28) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCN1CCOCC1 Show InChI InChI=1S/C26H28N2O6S/c1-32-23-14-18-17(13-24(23)34-8-3-5-27-6-9-33-10-7-27)12-21(25-4-2-11-35-25)28-16-19(26(30)31)22(29)15-20(18)28/h2,4,11,13-16,21H,3,5-10,12H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289733 (US10093671, Example 2) Show SMILES COCCCOc1cc2CC(c3ccsc3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C23H23NO6S/c1-28-5-3-6-30-22-9-15-8-18(14-4-7-31-13-14)24-12-17(23(26)27)20(25)11-19(24)16(15)10-21(22)29-2/h4,7,9-13,18H,3,5-6,8H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289755 (US10093671, Example 24) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCCCCNS(C)(=O)=O Show InChI InChI=1S/C26H30N2O7S2/c1-34-23-14-18-17(13-24(23)35-10-6-4-3-5-9-27-37(2,32)33)12-21(25-8-7-11-36-25)28-16-19(26(30)31)22(29)15-20(18)28/h7-8,11,13-16,21,27H,3-6,9-10,12H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289754 (US10093671, Example 23) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCCCCNC(C)=O Show InChI InChI=1S/C27H30N2O6S/c1-17(30)28-9-5-3-4-6-10-35-25-13-18-12-22(26-8-7-11-36-26)29-16-20(27(32)33)23(31)15-21(29)19(18)14-24(25)34-2/h7-8,11,13-16,22H,3-6,9-10,12H2,1-2H3,(H,28,30)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289748 (US10093671, Example 17) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCO Show InChI InChI=1S/C22H21NO6S/c1-28-19-10-14-13(9-20(19)29-6-3-5-24)8-17(21-4-2-7-30-21)23-12-15(22(26)27)18(25)11-16(14)23/h2,4,7,9-12,17,24H,3,5-6,8H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289753 (US10093671, Example 22) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCCCCN Show InChI InChI=1S/C25H28N2O5S/c1-31-22-13-17-16(12-23(22)32-9-5-3-2-4-8-26)11-20(24-7-6-10-33-24)27-15-18(25(29)30)21(28)14-19(17)27/h6-7,10,12-15,20H,2-5,8-9,11,26H2,1H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289766 (US10093671, Example 35) Show SMILES CCCc1cc2CC(c3cccs3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C22H21NO4S/c1-3-5-13-8-14-9-18(21-6-4-7-28-21)23-12-16(22(25)26)19(24)11-17(23)15(14)10-20(13)27-2/h4,6-8,10-12,18H,3,5,9H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289765 (US10093671, Example 34) Show SMILES CCc1cc2CC(c3cccs3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C21H19NO4S/c1-3-12-7-13-8-17(20-5-4-6-27-20)22-11-15(21(24)25)18(23)10-16(22)14(13)9-19(12)26-2/h4-7,9-11,17H,3,8H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289739 (US10093671, Example 8) Show SMILES COCCCOc1cc2CC(c3cccc(Cl)c3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C25H24ClNO6/c1-31-7-4-8-33-24-11-16-10-20(15-5-3-6-17(26)9-15)27-14-19(25(29)30)22(28)13-21(27)18(16)12-23(24)32-2/h3,5-6,9,11-14,20H,4,7-8,10H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<32	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289746 (US10093671, Example 15) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCC1CC1 Show InChI InChI=1S/C23H21NO5S/c1-28-20-9-15-14(8-21(20)29-12-13-4-5-13)7-18(22-3-2-6-30-22)24-11-16(23(26)27)19(25)10-17(15)24/h2-3,6,8-11,13,18H,4-5,7,12H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<32	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289738 (US10093671, Example 7) Show SMILES COCCCOc1cc2CC(c3cc(C)cs3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C24H25NO6S/c1-14-7-23(32-13-14)19-8-15-9-22(31-6-4-5-29-2)21(30-3)10-16(15)18-11-20(26)17(24(27)28)12-25(18)19/h7,9-13,19H,4-6,8H2,1-3H3,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<32	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289764 (US10093671, Example 33) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1C Show InChI InChI=1S/C20H17NO4S/c1-11-6-12-7-16(19-4-3-5-26-19)21-10-14(20(23)24)17(22)9-15(21)13(12)8-18(11)25-2/h3-6,8-10,16H,7H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289751 (US10093671, Example 20) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCN1CCCC1=O Show InChI InChI=1S/C25H24N2O6S/c1-32-21-12-16-15(11-22(21)33-8-7-26-6-2-5-24(26)29)10-19(23-4-3-9-34-23)27-14-17(25(30)31)20(28)13-18(16)27/h3-4,9,11-14,19H,2,5-8,10H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289760 (US10093671, Example 29) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCn1cncn1 Show InChI InChI=1S/C24H22N4O5S/c1-32-21-10-16-15(9-22(21)33-6-3-5-27-14-25-13-26-27)8-19(23-4-2-7-34-23)28-12-17(24(30)31)20(29)11-18(16)28/h2,4,7,9-14,19H,3,5-6,8H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289732 (US10093671, Example 1) Show SMILES COCCCOc1cc2CC(c3ccccc3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C25H25NO6/c1-30-9-6-10-32-24-12-17-11-20(16-7-4-3-5-8-16)26-15-19(25(28)29)22(27)14-21(26)18(17)13-23(24)31-2/h3-5,7-8,12-15,20H,6,9-11H2,1-2H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289740 (US10093671, Example 9) Show SMILES COCCCOc1cc2CC(c3ccc(F)cc3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C25H24FNO6/c1-31-8-3-9-33-24-11-16-10-20(15-4-6-17(26)7-5-15)27-14-19(25(29)30)22(28)13-21(27)18(16)12-23(24)32-2/h4-7,11-14,20H,3,8-10H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289739 (US10093671, Example 8) Show SMILES COCCCOc1cc2CC(c3cccc(Cl)c3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C25H24ClNO6/c1-31-7-4-8-33-24-11-16-10-20(15-5-3-6-17(26)9-15)27-14-19(25(29)30)22(28)13-21(27)18(16)12-23(24)32-2/h3,5-6,9,11-14,20H,4,7-8,10H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289749 (US10093671, Example 18) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCN1CCCCC1 Show InChI InChI=1S/C27H30N2O5S/c1-33-24-15-19-18(14-25(24)34-11-6-10-28-8-3-2-4-9-28)13-22(26-7-5-12-35-26)29-17-20(27(31)32)23(30)16-21(19)29/h5,7,12,14-17,22H,2-4,6,8-11,13H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289763 (US10093671, Example 32) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCS(C)(=O)=O Show InChI InChI=1S/C23H23NO7S2/c1-30-20-11-15-14(10-21(20)31-6-4-8-33(2,28)29)9-18(22-5-3-7-32-22)24-13-16(23(26)27)19(25)12-17(15)24/h3,5,7,10-13,18H,4,6,8-9H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289742 (US10093671, Example 11) Show SMILES COc1ccc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)c1C Show InChI InChI=1S/C20H17NO4S/c1-11-13-8-16(19-4-3-7-26-19)21-10-14(20(23)24)17(22)9-15(21)12(13)5-6-18(11)25-2/h3-7,9-10,16H,8H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289761 (US10093671, Example 30) Show SMILES COc1cc-2c(CC(c3cccs3)n3cc(C(O)=O)c(=O)cc-23)cc1OCCCC(O)=O Show InChI InChI=1S/C23H21NO7S/c1-30-19-10-14-13(9-20(19)31-6-2-5-22(26)27)8-17(21-4-3-7-32-21)24-12-15(23(28)29)18(25)11-16(14)24/h3-4,7,9-12,17H,2,5-6,8H2,1H3,(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289736 (US10093671, Example 5) Show SMILES COCCCOc1cc2CC(c3ccc(OC)cc3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C26H27NO7/c1-31-9-4-10-34-25-12-17-11-21(16-5-7-18(32-2)8-6-16)27-15-20(26(29)30)23(28)14-22(27)19(17)13-24(25)33-3/h5-8,12-15,21H,4,9-11H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289735 (US10093671, Example 4) Show SMILES COCCCOc1cc2CC(c3ccc(O)cc3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C25H25NO7/c1-31-8-3-9-33-24-11-16-10-20(15-4-6-17(27)7-5-15)26-14-19(25(29)30)22(28)13-21(26)18(16)12-23(24)32-2/h4-7,11-14,20,27H,3,8-10H2,1-2H3,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289737 (US10093671, Example 6) Show SMILES COCCCOc1cc2CC(c3ccc(OCc4ccccc4)cc3)n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C32H31NO7/c1-37-13-6-14-39-31-16-23-15-27(22-9-11-24(12-10-22)40-20-21-7-4-3-5-8-21)33-19-26(32(35)36)29(34)18-28(33)25(23)17-30(31)38-2/h3-5,7-12,16-19,27H,6,13-15,20H2,1-2H3,(H,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.93E+3	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289768 (US10093671, Example 37) Show SMILES COCCCOc1cc2CC(c3cc4ccccc4s3)n3cc(C(O)=O)c(=O)cc3-c2cc1Cl Show InChI InChI=1S/C26H22ClNO5S/c1-32-7-4-8-33-23-10-16-9-21(25-11-15-5-2-3-6-24(15)34-25)28-14-18(26(30)31)22(29)13-20(28)17(16)12-19(23)27/h2-3,5-6,10-14,21H,4,7-9H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.42E+3	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description HepG2.2.15 cells were seeded in duplicate into white, 96-well plates at 1.5×104 cells/well. The cells were treated with a three-fold serial dilution ...				US Patent US10093671 (2018) BindingDB Entry DOI: 10.7270/Q21838KR
					More data for this Ligand-Target Pair