Compile Data Set for Download or QSAR
Found 133 of affinity data for UniProtKB/TrEMBL: P89951
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576390(N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...)
Show SMILES Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)CC2CC2)C1
Show InChI InChI=1S/C23H23ClN2O4S/c24-15-3-4-18-17(7-15)26-22(30-18)14-8-23(9-14)10-16(11-23)25-21(27)19-5-6-20(29-19)31(28)12-13-1-2-13/h3-7,13-14,16H,1-2,8-12H2,(H,25,27)
Affinity DataIC50: 45nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576392(N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...)
Show SMILES Clc1ccc2oc(nc2c1)[C@H]1C[C@]2(C[C@@H](C2)NC(=O)c2ccc(o2)[S@](=O)CC2CC2)C1
Show InChI InChI=1S/C23H23ClN2O4S/c24-15-3-4-18-17(7-15)26-22(30-18)14-8-23(9-14)10-16(11-23)25-21(27)19-5-6-20(29-19)31(28)12-13-1-2-13/h3-7,13-14,16H,1-2,8-12H2,(H,25,27)/t14-,16-,23-,31-/m1/s1
Affinity DataIC50: 53nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576391(N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...)
Show SMILES Clc1ccc2oc(nc2c1)[C@H]1C[C@]2(C[C@@H](C2)NC(=O)c2ccc(o2)[S@@](=O)CC2CC2)C1
Show InChI InChI=1S/C23H23ClN2O4S/c24-15-3-4-18-17(7-15)26-22(30-18)14-8-23(9-14)10-16(11-23)25-21(27)19-5-6-20(29-19)31(28)12-13-1-2-13/h3-7,13-14,16H,1-2,8-12H2,(H,25,27)/t14-,16-,23-,31+/m1/s1
Affinity DataIC50: 67nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576388(N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...)
Show SMILES Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)(=O)C2CC2)C1
Show InChI InChI=1S/C22H21ClN2O5S/c23-13-1-4-17-16(7-13)25-21(30-17)12-8-22(9-12)10-14(11-22)24-20(26)18-5-6-19(29-18)31(27,28)15-2-3-15/h1,4-7,12,14-15H,2-3,8-11H2,(H,24,26)
Affinity DataIC50: 177nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576395(N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...)
Show SMILES Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)(=O)CC2CC2)C1
Show InChI InChI=1S/C23H23ClN2O5S/c24-15-3-4-18-17(7-15)26-22(31-18)14-8-23(9-14)10-16(11-23)25-21(27)19-5-6-20(30-19)32(28,29)12-13-1-2-13/h3-7,13-14,16H,1-2,8-12H2,(H,25,27)
Affinity DataIC50: 180nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576331(WO2022112188, Example 13)
Show SMILES Clc1ccc2sc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)(=O)C2CC2)C1
Show InChI InChI=1S/C22H21ClN2O4S2/c23-13-1-5-18-16(7-13)25-21(30-18)12-8-22(9-12)10-14(11-22)24-20(26)17-4-6-19(29-17)31(27,28)15-2-3-15/h1,4-7,12,14-15H,2-3,8-11H2,(H,24,26)
Affinity DataIC50: 360nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576317(WO2022112140, Example 23)
Show SMILES CS(=O)(=O)c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C21H20ClN3O4S/c1-30(27,28)18-6-12(4-5-23-18)19(26)24-15-10-21(11-15)8-13(9-21)20-25-16-7-14(22)2-3-17(16)29-20/h2-7,13,15H,8-11H2,1H3,(H,24,26)
Affinity DataIC50: 490nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576361(WO2022112205, Example 16)
Show SMILES CS(=O)(=O)Cc1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C19H17ClN2O5S/c1-28(24,25)7-12-3-5-15(26-12)16(23)22-19-8-18(9-19,10-19)17-21-13-6-11(20)2-4-14(13)27-17/h2-6H,7-10H2,1H3,(H,22,23)
Affinity DataIC50: 575nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576354(WO2022112205, Example 11)
Show SMILES Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=N)(=O)C1CC1
Show InChI InChI=1S/C20H18ClN3O4S/c21-11-1-4-14-13(7-11)23-18(28-14)19-8-20(9-19,10-19)24-17(25)15-5-6-16(27-15)29(22,26)12-2-3-12/h1,4-7,12,22H,2-3,8-10H2,(H,24,25)
Affinity DataIC50: 594nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576267(WO2022112139, Example 5)
Show SMILES COCCC(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C18H17N3O3/c1-23-12-11-16(22)19-15-9-7-14(8-10-15)18-21-20-17(24-18)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,22)
Affinity DataIC50: 690nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576386(N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...)
Show SMILES CS(=O)(=O)c1ccc(o1)C(=O)NC1C[C@@]2(C1)C[C@@H](C2)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C20H19ClN2O5S/c1-29(25,26)17-5-4-16(27-17)18(24)22-13-9-20(10-13)7-11(8-20)19-23-14-6-12(21)2-3-15(14)28-19/h2-6,11,13H,7-10H2,1H3,(H,22,24)/t11-,13?,20-
Affinity DataIC50: 694nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576349(WO2022112205, Example 5)
Show SMILES Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=O)(=O)C1CC1
Show InChI InChI=1S/C20H17ClN2O5S/c21-11-1-4-14-13(7-11)22-18(28-14)19-8-20(9-19,10-19)23-17(24)15-5-6-16(27-15)29(25,26)12-2-3-12/h1,4-7,12H,2-3,8-10H2,(H,23,24)
Affinity DataIC50: 750nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576269(WO2022112139, Example 7)
Show SMILES O=C(Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1)C1CCCC1
Show InChI InChI=1S/C20H19N3O2/c24-18(14-6-4-5-7-14)21-17-12-10-16(11-13-17)20-23-22-19(25-20)15-8-2-1-3-9-15/h1-3,8-14H,4-7H2,(H,21,24)
Affinity DataIC50: 770nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576341(WO2022112188, Example 23)
Show SMILES FC1(F)CC(C1)NS(=O)(=O)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C23H22ClF2N3O4S2/c24-13-1-3-18-16(5-13)28-21(34-18)12-6-22(7-12)8-14(9-22)27-20(30)17-2-4-19(33-17)35(31,32)29-15-10-23(25,26)11-15/h1-5,12,14-15,29H,6-11H2,(H,27,30)
Affinity DataIC50: 850nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576383(N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...)
Show SMILES CS(=O)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C20H19ClN2O4S/c1-28(25)17-5-4-16(26-17)18(24)22-13-9-20(10-13)7-11(8-20)19-23-14-6-12(21)2-3-15(14)27-19/h2-6,11,13H,7-10H2,1H3,(H,22,24)
Affinity DataIC50: 854nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576355(WO2022112205, Example 12)
Show SMILES CS(=N)(=O)c1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C18H16ClN3O4S/c1-27(20,24)14-5-4-13(25-14)15(23)22-18-7-17(8-18,9-18)16-21-11-6-10(19)2-3-12(11)26-16/h2-6,20H,7-9H2,1H3,(H,22,23)
Affinity DataIC50: 891nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576358(WO2022112205, Example 13)
Show SMILES Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=N)(=O)CC1CC1
Show InChI InChI=1S/C21H20ClN3O4S/c22-13-3-4-15-14(7-13)24-19(29-15)20-9-21(10-20,11-20)25-18(26)16-5-6-17(28-16)30(23,27)8-12-1-2-12/h3-7,12,23H,1-2,8-11H2,(H,25,26)
Affinity DataIC50: 995nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576340(WO2022112188, Example 22)
Show SMILES Clc1ccc2sc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)(=O)NC2CCC2)C1
Show InChI InChI=1S/C23H24ClN3O4S2/c24-14-4-6-19-17(8-14)26-22(32-19)13-9-23(10-13)11-16(12-23)25-21(28)18-5-7-20(31-18)33(29,30)27-15-2-1-3-15/h4-8,13,15-16,27H,1-3,9-12H2,(H,25,28)
Affinity DataIC50: 1.00E+3nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576357(WO2022112205, Example 12-b)
Show SMILES C[S@](=N)(=O)c1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C18H16ClN3O4S/c1-27(20,24)14-5-4-13(25-14)15(23)22-18-7-17(8-18,9-18)16-21-11-6-10(19)2-3-12(11)26-16/h2-6,20H,7-9H2,1H3,(H,22,23)/t17?,18?,27-/m0/s1
Affinity DataIC50: 1.01E+3nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576378(N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...)
Show SMILES COCc1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C21H21ClN2O4/c1-26-11-15-3-5-18(27-15)19(25)23-14-9-21(10-14)7-12(8-21)20-24-16-6-13(22)2-4-17(16)28-20/h2-6,12,14H,7-11H2,1H3,(H,23,25)
Affinity DataIC50: 1.02E+3nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576387(N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...)
Show SMILES CCS(=O)(=O)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C21H21ClN2O5S/c1-2-30(26,27)18-6-5-17(28-18)19(25)23-14-10-21(11-14)8-12(9-21)20-24-15-7-13(22)3-4-16(15)29-20/h3-7,12,14H,2,8-11H2,1H3,(H,23,25)
Affinity DataIC50: 1.03E+3nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576342(WO2022112188, Example 24)
Show SMILES FC(F)(F)C1CC(C1)NS(=O)(=O)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C24H23ClF3N3O4S2/c25-14-1-3-19-17(7-14)30-22(36-19)12-8-23(9-12)10-16(11-23)29-21(32)18-2-4-20(35-18)37(33,34)31-15-5-13(6-15)24(26,27)28/h1-4,7,12-13,15-16,31H,5-6,8-11H2,(H,29,32)
Affinity DataIC50: 1.04E+3nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576339(WO2022112188, Example 21)
Show SMILES FC1(F)CN(C1)S(=O)(=O)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C22H20ClF2N3O4S2/c23-13-1-3-17-15(5-13)27-20(33-17)12-6-21(7-12)8-14(9-21)26-19(29)16-2-4-18(32-16)34(30,31)28-10-22(24,25)11-28/h1-5,12,14H,6-11H2,(H,26,29)
Affinity DataIC50: 1.14E+3nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576384(N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...)
Show SMILES CS(=O)(=O)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C20H19ClN2O5S/c1-29(25,26)17-5-4-16(27-17)18(24)22-13-9-20(10-13)7-11(8-20)19-23-14-6-12(21)2-3-15(14)28-19/h2-6,11,13H,7-10H2,1H3,(H,22,24)
Affinity DataIC50: 1.17E+3nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576345(WO2022112205, Example 2-a)
Show SMILES C[S@](=O)c1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C18H15ClN2O4S/c1-26(23)14-5-4-13(24-14)15(22)21-18-7-17(8-18,9-18)16-20-11-6-10(19)2-3-12(11)25-16/h2-6H,7-9H2,1H3,(H,21,22)/t17?,18?,26-/m0/s1
Affinity DataIC50: 1.19E+3nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576327(WO2022112188, Example 9)
Show SMILES CCS(=O)(=O)c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1
Show InChI InChI=1S/C22H22ClN3O3S2/c1-2-31(28,29)19-7-13(5-6-24-19)20(27)25-16-11-22(12-16)9-14(10-22)21-26-17-8-15(23)3-4-18(17)30-21/h3-8,14,16H,2,9-12H2,1H3,(H,25,27)
Affinity DataIC50: 1.21E+3nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576369(WO2022112205, Example 7)
Show SMILES Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=O)(=O)CC1CC1
Show InChI InChI=1S/C21H19ClN2O5S/c22-13-3-4-15-14(7-13)23-19(29-15)20-9-21(10-20,11-20)24-18(25)16-5-6-17(28-16)30(26,27)8-12-1-2-12/h3-7,12H,1-2,8-11H2,(H,24,25)
Affinity DataIC50: 1.21E+3nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576326(WO2022112188, Example 8)
Show SMILES CC(C)(c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1)S(C)(=O)=O
Show InChI InChI=1S/C24H26ClN3O3S2/c1-23(2,33(3,30)31)20-8-14(6-7-26-20)21(29)27-17-12-24(13-17)10-15(11-24)22-28-18-9-16(25)4-5-19(18)32-22/h4-9,15,17H,10-13H2,1-3H3,(H,27,29)
Affinity DataIC50: 1.23E+3nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576313(WO2022112140, Example 19)
Show SMILES NS(=O)(=O)c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C20H19ClN4O4S/c21-13-1-2-16-15(6-13)25-19(29-16)12-7-20(8-12)9-14(10-20)24-18(26)11-3-4-23-17(5-11)30(22,27)28/h1-6,12,14H,7-10H2,(H,24,26)(H2,22,27,28)
Affinity DataIC50: 1.24E+3nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576314(WO2022112140, Example 20)
Show SMILES CC(C)Oc1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C23H24ClN3O3/c1-13(2)29-20-7-14(5-6-25-20)21(28)26-17-11-23(12-17)9-15(10-23)22-27-18-8-16(24)3-4-19(18)30-22/h3-8,13,15,17H,9-12H2,1-2H3,(H,26,28)
Affinity DataIC50: 1.26E+3nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576287(WO2022112139, Example 25)
Show SMILES O=C(Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1)c1cccnn1
Show InChI InChI=1S/C19H13N5O2/c25-17(16-7-4-12-20-22-16)21-15-10-8-14(9-11-15)19-24-23-18(26-19)13-5-2-1-3-6-13/h1-12H,(H,21,25)
Affinity DataIC50: 1.27E+3nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576356(WO2022112205, Example 12-a)
Show SMILES C[S@@](=N)(=O)c1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C18H16ClN3O4S/c1-27(20,24)14-5-4-13(25-14)15(23)22-18-7-17(8-18,9-18)16-21-11-6-10(19)2-3-12(11)26-16/h2-6,20H,7-9H2,1H3,(H,22,23)/t17?,18?,27-/m1/s1
Affinity DataIC50: 1.30E+3nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576348(WO2022112205, Example 4)
Show SMILES Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=O)C1CC1
Show InChI InChI=1S/C20H17ClN2O4S/c21-11-1-4-14-13(7-11)22-18(27-14)19-8-20(9-19,10-19)23-17(24)15-5-6-16(26-15)28(25)12-2-3-12/h1,4-7,12H,2-3,8-10H2,(H,23,24)
Affinity DataIC50: 1.32E+3nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576376(N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...)
Show SMILES CC(C)c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C22H23ClN2O3/c1-12(2)17-5-6-19(27-17)20(26)24-15-10-22(11-15)8-13(9-22)21-25-16-7-14(23)3-4-18(16)28-21/h3-7,12-13,15H,8-11H2,1-2H3,(H,24,26)
Affinity DataIC50: 1.34E+3nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576350(WO2022112205, Example 6)
Show SMILES Clc1ccc2oc(nc2c1)C12CC(C1)(C2)NC(=O)c1ccc(o1)S(=O)CC1CC1
Show InChI InChI=1S/C21H19ClN2O4S/c22-13-3-4-15-14(7-13)23-19(28-15)20-9-21(10-20,11-20)24-18(25)16-5-6-17(27-16)29(26)8-12-1-2-12/h3-7,12H,1-2,8-11H2,(H,24,25)
Affinity DataIC50: 1.37E+3nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576288(WO2022112139, Example 26)
Show SMILES O=C(Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1)c1ncco1
Show InChI InChI=1S/C18H12N4O3/c23-15(18-19-10-11-24-18)20-14-8-6-13(7-9-14)17-22-21-16(25-17)12-4-2-1-3-5-12/h1-11H,(H,20,23)
Affinity DataIC50: 1.42E+3nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576309(WO2022112140, Example 15)
Show SMILES Cc1cnc(s1)-c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C24H21ClN4O2S/c1-13-12-27-23(32-13)19-6-14(4-5-26-19)21(30)28-17-10-24(11-17)8-15(9-24)22-29-18-7-16(25)2-3-20(18)31-22/h2-7,12,15,17H,8-11H2,1H3,(H,28,30)
Affinity DataIC50: 1.47E+3nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576306(WO2022112140, Example 12)
Show SMILES CC(C)N(C)c1cc(ccn1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C24H27ClN4O2/c1-14(2)29(3)21-8-15(6-7-26-21)22(30)27-18-12-24(13-18)10-16(11-24)23-28-19-9-17(25)4-5-20(19)31-23/h4-9,14,16,18H,10-13H2,1-3H3,(H,27,30)
Affinity DataIC50: 1.55E+3nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576284(WO2022112139, Example 22)
Show SMILES Clc1cccc(n1)C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C20H13ClN4O2/c21-17-8-4-7-16(23-17)18(26)22-15-11-9-14(10-12-15)20-25-24-19(27-20)13-5-2-1-3-6-13/h1-12H,(H,22,26)
Affinity DataIC50: 1.59E+3nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576335(WO2022112188, Example 17)
Show SMILES CC(C)(c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1)S(C)(=O)=O
Show InChI InChI=1S/C23H25ClN2O4S2/c1-22(2,32(3,28)29)19-7-5-17(30-19)20(27)25-15-11-23(12-15)9-13(10-23)21-26-16-8-14(24)4-6-18(16)31-21/h4-8,13,15H,9-12H2,1-3H3,(H,25,27)
Affinity DataIC50: 1.60E+3nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576286(WO2022112139, Example 24)
Show SMILES O=C(Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1)c1ccnnc1
Show InChI InChI=1S/C19H13N5O2/c25-17(15-10-11-20-21-12-15)22-16-8-6-14(7-9-16)19-24-23-18(26-19)13-4-2-1-3-5-13/h1-12H,(H,22,25)
Affinity DataIC50: 1.60E+3nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM50352939(CHEMBL1824913 | WO2022112139, Example 9)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C21H14ClN3O2/c22-18-9-5-4-8-17(18)19(26)23-16-12-10-15(11-13-16)21-25-24-20(27-21)14-6-2-1-3-7-14/h1-13H,(H,23,26)
Affinity DataIC50: 1.69E+3nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576289(WO2022112139, Example 27)
Show SMILES O=C(Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1)c1nccs1
Show InChI InChI=1S/C18H12N4O2S/c23-15(18-19-10-11-25-18)20-14-8-6-13(7-9-14)17-22-21-16(24-17)12-4-2-1-3-5-12/h1-11H,(H,20,23)
Affinity DataIC50: 1.71E+3nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576343(WO2022112205, Example 1 | WO2022112205, Example 9)
Show SMILES CS(=O)(=O)c1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C18H15ClN2O5S/c1-27(23,24)14-5-4-13(25-14)15(22)21-18-7-17(8-18,9-18)16-20-11-6-10(19)2-3-12(11)26-16/h2-6H,7-9H2,1H3,(H,21,22)
Affinity DataIC50: 1.77E+3nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576389(N-[6-(5-chloro-1,3-benzoxazol-2-yl)spiro[3.3]hepta...)
Show SMILES Clc1ccc2oc(nc2c1)C1CC2(CC(C2)NC(=O)c2ccc(o2)S(=O)(=O)C2COC2)C1
Show InChI InChI=1S/C22H21ClN2O6S/c23-13-1-2-17-16(5-13)25-21(31-17)12-6-22(7-12)8-14(9-22)24-20(26)18-3-4-19(30-18)32(27,28)15-10-29-11-15/h1-5,12,14-15H,6-11H2,(H,24,26)
Affinity DataIC50: 1.81E+3nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576366(WO2022112205, Example 21)
Show SMILES CSc1cccc(c1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C20H17ClN2O2S/c1-26-14-4-2-3-12(7-14)17(24)23-20-9-19(10-20,11-20)18-22-15-8-13(21)5-6-16(15)25-18/h2-8H,9-11H2,1H3,(H,23,24)
Affinity DataIC50: 1.87E+3nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576346(WO2022112205, Example 2-b)
Show SMILES C[S@@](=O)c1ccc(o1)C(=O)NC12CC(C1)(C2)c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C18H15ClN2O4S/c1-26(23)14-5-4-13(24-14)15(22)21-18-7-17(8-18,9-18)16-20-11-6-10(19)2-3-12(11)25-16/h2-6H,7-9H2,1H3,(H,21,22)/t17?,18?,26-/m1/s1
Affinity DataIC50: 1.89E+3nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576283(WO2022112139, Example 21)
Show SMILES COc1cc(ccn1)C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C21H16N4O3/c1-27-18-13-16(11-12-22-18)19(26)23-17-9-7-15(8-10-17)21-25-24-20(28-21)14-5-3-2-4-6-14/h2-13H,1H3,(H,23,26)
Affinity DataIC50: 1.91E+3nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576334(WO2022112188, Example 16)
Show SMILES CC(c1ccc(o1)C(=O)NC1CC2(C1)CC(C2)c1nc2cc(Cl)ccc2s1)S(C)(=O)=O
Show InChI InChI=1S/C22H23ClN2O4S2/c1-12(31(2,27)28)17-4-5-18(29-17)20(26)24-15-10-22(11-15)8-13(9-22)21-25-16-7-14(23)3-6-19(16)30-21/h3-7,12-13,15H,8-11H2,1-2H3,(H,24,26)
Affinity DataIC50: 1.92E+3nMAssay Description:Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million c...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetExternal core antigen(HBVgbn)
F. HOFFMANN-LA ROCHE AG

WIPO
LigandPNGBDBM576277(WO2022112139, Example 15)
Show SMILES FC(F)Oc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C22H15F2N3O3/c23-22(24)29-18-9-5-4-8-17(18)19(28)25-16-12-10-15(11-13-16)21-27-26-20(30-21)14-6-2-1-3-7-14/h1-13,22H,(H,25,28)
Affinity DataIC50: 1.94E+3nMAssay Description: Detailed procedures regarding primary human hepatocyte (PHH) HBV natural infection assay are described as below. One tube of frozen PHH (10 million ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
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