Compile Data Set for Download or QSAR

Found 351 hits of ec50 for UniProtKB: P03138   

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
Large envelope protein (Hepatitis B virus)	BDBM289776 (US10093673, Compound 5.2) Show SMILES COCCCOc1cc2[C@H]3CCC(C)(C)[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1Cl |r| Show InChI InChI=1S/C23H26ClNO5/c1-23(2)6-5-13-14-10-20(30-8-4-7-29-3)17(24)9-15(14)18-11-19(26)16(22(27)28)12-25(18)21(13)23/h9-13,21H,4-8H2,1-3H3,(H,27,28)/t13-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...				US Patent US10093673 (2018) BindingDB Entry DOI: 10.7270/Q2WH2S21
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289769 (US10093673, Compound 1.1) Show SMILES COCCCOc1cc2[C@H]3CCC(C)(C)[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC |r| Show InChI InChI=1S/C24H29NO6/c1-24(2)7-6-14-15-10-21(31-9-5-8-29-3)20(30-4)11-16(15)18-12-19(26)17(23(27)28)13-25(18)22(14)24/h10-14,22H,5-9H2,1-4H3,(H,27,28)/t14-,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...				US Patent US10093673 (2018) BindingDB Entry DOI: 10.7270/Q2WH2S21
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289772 (US10093673, Compound 3.1) Show SMILES COCCCOc1cc2[C@H]3CCC(C)(C)[C@H]3n3cc(C(O)=O)c(=O)c(F)c3-c2cc1OC |r| Show InChI InChI=1S/C24H28FNO6/c1-24(2)7-6-13-14-10-18(32-9-5-8-30-3)17(31-4)11-15(14)20-19(25)21(27)16(23(28)29)12-26(20)22(13)24/h10-13,22H,5-9H2,1-4H3,(H,28,29)/t13-,22+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...				US Patent US10093673 (2018) BindingDB Entry DOI: 10.7270/Q2WH2S21
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289774 (US10093673, Compound 4.1) Show SMILES COCCCOc1cc2[C@H]3OCC(C)(C)[C@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1OC |r| Show InChI InChI=1S/C23H27NO7/c1-23(2)12-31-20-14-9-19(30-7-5-6-28-3)18(29-4)8-13(14)16-10-17(25)15(22(26)27)11-24(16)21(20)23/h8-11,20-21H,5-7,12H2,1-4H3,(H,26,27)/t20-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...				US Patent US10093673 (2018) BindingDB Entry DOI: 10.7270/Q2WH2S21
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289779 (US10093673, Compound 7.1) Show SMILES COCCCOc1cc2[C@H]3OCC(C)(C)C3n3cc(C(O)=O)c(=O)c(F)c3-c2cc1OC |r| Show InChI InChI=1S/C23H26FNO7/c1-23(2)11-32-20-13-9-16(31-7-5-6-29-3)15(30-4)8-12(13)18-17(24)19(26)14(22(27)28)10-25(18)21(20)23/h8-10,20-21H,5-7,11H2,1-4H3,(H,27,28)/t20-,21?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...				US Patent US10093673 (2018) BindingDB Entry DOI: 10.7270/Q2WH2S21
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM519994 ((R)-methyl 4-(2-chloro-4-fluorophenyl)-6-(((S)-2-(...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(cc3)C3(CC3)C#N)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,33| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289781 (US10093673, Compound 8.1) Show SMILES COCCCOc1cc2[C@H]3COC(C)(C)C3n3cc(C(O)=O)c(=O)cc3-c2cc1OC |r| Show InChI InChI=1S/C23H27NO7/c1-23(2)21-16(12-31-23)13-8-20(30-7-5-6-28-3)19(29-4)9-14(13)17-10-18(25)15(22(26)27)11-24(17)21/h8-11,16,21H,5-7,12H2,1-4H3,(H,26,27)/t16-,21?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...				US Patent US10093673 (2018) BindingDB Entry DOI: 10.7270/Q2WH2S21
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540719 ((E)-3-(4-((S)-7-(((R)-6-(2-chloro-4-fluorophenyl)-...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(\C=C\C(O)=O)cc3)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,32| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540695 (3-(4-((S)-7-(((R)-6-(2-chloro-4-fluorophenyl)-5-(m...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(cc3)C(C)CC(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,33| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM520012 (US11142527, Example 44) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(CC#Cc4ccc(cc4)C#N)C3=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,32| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.60	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540732 (US11261190, Example 60B) Show SMILES COC[C@@H]1[C@H]2CN(C(=O)N2CCN1CC1=C([C@@H](N=C(N1)c1nccs1)c1ccc(F)cc1Cl)C(=O)OC)c1ccc(cc1)C(C)(C)C(=O)OC |r,c:19,t:16| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540693 (3-(4-((S)-7-(((R)-6-(2-chloro-4-fluorophenyl)-5-(m...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(CC(C)(C)C(O)=O)cc3)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,34| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM520067 (US11142527, Example 134) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3nc(cs3)-c3ccc(CC(O)=O)cc3)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,37| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540689 (3-(4-((S)-7-(((R)-6-(2-chloro-4-fluorophenyl)-5-(m...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(CCC(O)=O)cc3)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,32| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM519996 (1-(4-((S)-7-(((R)-6-(2-chloro-4-fluorophenyl)-5-(m...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(cc3)C3(CCC3)C(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,35| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540694 (3-(4-((S)-7-(((R)-6-(2-chloro-4-fluorophenyl)-5-(m...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(CC(C)C(O)=O)cc3)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,33| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540700 (US11261190, Example 24) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(CCC(O)=O)cc3)C2)NC(=N[C@H]1c1ccc(Cl)cc1Cl)c1nccs1 |r,c:4,32| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540707 ((R)-methyl 6-(((S)-2-(4-acetylphenyl)-3-oxohexahyd...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(cc3)C(C)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,30| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM519990 (3-((R)-4-(4-((S)-7-(((R)-6-(2-chloro-4-fluoropheny...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(cc3)N3CCO[C@H](CCC(O)=O)C3)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,39| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM520042 ((R)-methyl 4-(2-chloro-4-fluorophenyl)-6-(((S)-2-(...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(Cc4ccc(Oc5ccc(cc5)C#N)cc4)C3=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,38| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.20	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540712 (3-(3-((S)-7-(((R)-6-(2-chloro-4-fluorophenyl)-5-(m...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3cccc(CCC(O)=O)c3)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,32| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540733 (US11261190, Example 61B) Show SMILES COC[C@@H]1[C@H]2CN(C(=O)N2CCN1CC1=C([C@@H](N=C(N1)c1nccs1)c1ccc(F)cc1Cl)C(=O)OC)c1ccc(cc1)C(C)(C)OC=O |r,c:19,t:16| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540691 (2-(4-((S)-7-(((R)-6-(2-chloro-4-fluorophenyl)-5-(m...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(cc3)C(C)(C)C(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,33| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540696 (3-(2-((S)-7-(((R)-6-(2-chloro-4-fluorophenyl)-5-(m...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3nc(CCC(O)=O)cs3)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,31| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540698 (US11261190, Example 22) Show SMILES CCOC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(CCC(O)=O)cc3)C2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,33| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540701 (US11261190, Example 25) Show SMILES COC(=O)CCc1ccc(cc1)N1C[C@@H]2CN(CC3=C([C@@H](N=C(N3)c3nccs3)c3ccc(F)cc3Cl)C(=O)OC)CCN2C1=O |r,c:22,t:19| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM519991 (1-(4-((S)-7-(((R)-6-(2-chloro-4-fluorophenyl)-5-(m...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(cc3)N3CCC(CC3)C(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,37| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540704 (US11261190, Example 28) Show SMILES CCOC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(CC(C)(C)C(O)=O)cc3)C2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1 |r,c:5,35| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289777 (US10093673, Compound 6.1 | US10093673, Compound 6....) Show SMILES COCCCOc1cc2C3CCCC3n3cc(C(O)=O)c(=O)cc3-c2cc1OC Show InChI InChI=1S/C22H25NO6/c1-27-7-4-8-29-21-9-14-13-5-3-6-17(13)23-12-16(22(25)26)19(24)11-18(23)15(14)10-20(21)28-2/h9-13,17H,3-8H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...				US Patent US10093673 (2018) BindingDB Entry DOI: 10.7270/Q2WH2S21
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM520009 (US11142527, Example 41) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(CC#Cc4ccc(cc4)S(C)(=O)=O)C3=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,34| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.10	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM520029 (US11142527, Example 76) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(cc3)N3CCOC(CC(O)=O)C3)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,38| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.40	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540708 (US11261190, Example 32) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(cc3F)C(C)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,31| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540705 (US11261190, Example 29) Show SMILES CCOC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(CC(C)(C)C(O)=O)cc3)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:5,35| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM520000 (1-(3-((S)-7-(((R)-6-(2-chloro-4-fluorophenyl)-5-(m...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3cc(F)cc(c3)N3CCC(CC3)C(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,38| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM519997 (1-(4-((S)-7-(((R)-6-(2-chloro-4-fluorophenyl)-5-(m...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(cc3)C3(CCCC3)C(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,36| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM519987 (2-(4-(2-((S)-7-(((R)-6-(2-chloro-4-fluorophenyl)-5...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3nc(cs3)-c3ccc(cc3)C(C)(C)C(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,39| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM289775 (US10093673, Compound 5.1) Show SMILES COCCCOc1cc2[C@@H]3CCC(C)(C)[C@@H]3n3cc(C(O)=O)c(=O)cc3-c2cc1Cl |r| Show InChI InChI=1S/C23H26ClNO5/c1-23(2)6-5-13-14-10-20(30-8-4-7-29-3)17(24)9-15(14)18-11-19(26)16(22(27)28)12-25(18)21(13)23/h9-13,21H,4-8H2,1-3H3,(H,27,28)/t13-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description HepG2-Clone42 cells were seeded in into black clear-bottom 96-well plates at a concentration of 6.0×104 cells/well. 24 hours post-seeding, the cells ...				US Patent US10093673 (2018) BindingDB Entry DOI: 10.7270/Q2WH2S21
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM520045 ((R)-methyl 4-(2-chloro-4-fluorophenyl)-6-(((S)-2-(...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(Oc4ccc(cc4)S(C)(=O)=O)cc3)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,39| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.20	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM520014 (US11142527, Example 48) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(CC#Cc4c(C)cc(cc4C)C#N)C3=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,34| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.30	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM520068 (US11142527, Example 135) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3nc(cs3)-c3ccc(CCC(O)=O)cc3)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,38| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM520046 ((R)-methyl 4-(2-chloro-4-fluorophenyl)-6-(((S)-2-(...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(cc3)-c3cnc(C)[nH]3)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,34| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.5	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM520007 (US11142527, Example 39) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(CC#Cc4ccc(cc4)C(N)=O)C3=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,33| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.60	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM520065 (3-(4′-((S)-7-(((R)-6-(2-chloro-4-fluoropheny...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(cc3)-c3ccc(CCC(O)=O)cc3)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,39| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.70	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM520047 ((4R)-methyl 4-(2-chloro-4-fluorophenyl)-6-(((8aS)-...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc4[nH]c(nc4c3)C3CCCN3C)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,38| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.80	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM519993 (4-(3-((S)-7-(((R)-6-(2-chloro-4-fluorophenyl)-5-(m...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3cc(F)cc(OC4CCC(CC4)C(O)=O)c3)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,wU:11.10,wD:37.42,c:4,39,(-5.67,7.32,;-4.45,6.38,;-3.03,6.97,;-2.83,8.5,;-1.81,6.03,;-2.01,4.51,;-3.44,3.92,;-3.64,2.39,;-5.06,1.81,;-5.27,.28,;-4.05,-.66,;-2.62,-.07,;-1.62,-1.25,;-2.43,-2.56,;-3.93,-2.2,;-5.1,-3.19,;-1.84,-3.98,;-2.78,-5.2,;-2.19,-6.62,;-3.13,-7.85,;-.67,-6.83,;.27,-5.61,;1.8,-5.81,;2.39,-7.23,;1.45,-8.46,;2.03,-9.88,;3.56,-10.08,;4.5,-8.86,;3.91,-7.44,;4.15,-11.51,;5.67,-11.71,;3.21,-12.73,;-.32,-4.18,;-2.42,1.45,;-.79,3.57,;.63,4.15,;.83,5.68,;-.39,6.62,;-.18,8.15,;-1.4,9.09,;-1.2,10.61,;.22,11.2,;.43,12.73,;1.44,10.26,;1.24,8.73,;2.46,7.79,;1.85,3.21,;3.33,3.65,;4.2,2.38,;3.26,1.16,;1.81,1.68,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM520003 (4′-((S)-7-(((R)-6-(2-chloro-4-fluorophenyl)-...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(c(F)c3)-c3ccc(cc3)C(O)=O)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,38| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM520002 (4′-((S)-7-(((R)-6-(2-chloro-4-fluorophenyl)-...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(c(F)c3)-c3ccc(C(O)=O)c(F)c3)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,39| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2RV0RVC
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540690 (2-(4-((S)-7-(((R)-6-(2-chloro-4-fluorophenyl)-5-(m...) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(CC(O)=O)cc3)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:4,31| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540699 (US11261190, Example 23) Show SMILES CCOC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(CCC(O)=O)cc3)C2)NC(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1 |r,c:5,33| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair
Large envelope protein (Hepatitis B virus)	BDBM540703 (US11261190, Example 27) Show SMILES COC(=O)C1=C(CN2CCN3[C@H](CN(C3=O)c3ccc(CC(O)=O)cc3)C2)NC(=N[C@H]1c1ccc(Cl)cc1Cl)c1nccs1 |r,c:4,31| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
TBA					Assay Description 8000 HepG 2.2.15 cells per well were seeded into a 96-well plate, the plate was cultured at 37° C. and 5% CO2 for 3 days till the cells grew to full ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JS9TMX
					More data for this Ligand-Target Pair

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