BindingDB logo
myBDB logout

Patent code US10836769

Compile Data Set for Download or QSAR
Found 56 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473001
PNG
(5-(2-((3,3-difluoro-1-(1-methyl-1H-1,2,3-triazol-5...)
Show SMILES Cc1c(C(=O)Nc2ccc(F)cc2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cnnn1C
Show InChI InChI=1S/C24H23F3N6O3/c1-13-18(21(35)29-15-7-5-14(25)6-8-15)16-4-3-9-33(16)19(13)20(34)22(36)30-23(11-24(26,27)12-23)17-10-28-31-32(17)2/h5-8,10H,3-4,9,11-12H2,1-2H3,(H,29,35)(H,30,36)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 17.9n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473065
PNG
(US10836769, Example 51)
Show SMILES COCc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(CC(F)(F)C3)c3c[nH]nn3)n3CCCc23)ccc1F
Show InChI InChI=1S/C25H25F3N6O4/c1-13-19(22(36)30-15-5-6-16(26)14(8-15)10-38-2)17-4-3-7-34(17)20(13)21(35)23(37)31-24(11-25(27,28)12-24)18-9-29-33-32-18/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,30,36)(H,31,37)(H,29,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 45n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473063
PNG
(US10836769, Example 49)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(c2)C(F)F)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1nncs1
Show InChI InChI=1S/C24H20F5N5O3S/c1-11-16(20(36)31-12-4-5-14(25)13(7-12)19(26)27)15-3-2-6-34(15)17(11)18(35)21(37)32-23(8-24(28,29)9-23)22-33-30-10-38-22/h4-5,7,10,19H,2-3,6,8-9H2,1H3,(H,31,36)(H,32,37)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 3.20n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM472982
PNG
(US10836769, Example 3)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1nncs1
Show InChI InChI=1S/C23H19F4N5O3S/c1-11-16(19(34)29-12-4-5-13(24)14(25)7-12)15-3-2-6-32(15)17(11)18(33)20(35)30-22(8-23(26,27)9-22)21-31-28-10-36-21/h4-5,7,10H,2-3,6,8-9H2,1H3,(H,29,34)(H,30,35)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 2.30n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473026
PNG
(US10836769, Example 13)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC1)C#C
Show InChI InChI=1S/C22H19F2N3O3/c1-3-22(8-9-22)26-21(30)19(28)18-12(2)17(16-5-4-10-27(16)18)20(29)25-13-6-7-14(23)15(24)11-13/h1,6-7,11H,4-5,8-10H2,2H3,(H,25,29)(H,26,30)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 8.5n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473027
PNG
(US10836769, Example 14)
Show SMILES Cc1c(C(=O)Nc2ccc(F)cc2)c2[C@@H]3C[C@@H]3Cn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cnn[nH]1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 2.60n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473038
PNG
(US10836769, Example 25)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2[C@@H]3C[C@@H]3Cn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cnn[nH]1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 1.90n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473039
PNG
(US10836769, Example 26)
Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)c2[C@@H]3C[C@@H]3Cn12
Show InChI InChI=1S/C24H22F4N4O4/c1-10-16(20(34)30-12-3-4-14(25)15(26)6-12)18-13-5-11(13)7-32(18)17(10)19(33)21(35)31-23(22(36)29-2)8-24(27,28)9-23/h3-4,6,11,13H,5,7-9H2,1-2H3,(H,29,36)(H,30,34)(H,31,35)/t11-,13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 20.6n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473042
PNG
(US10836769, Example 28)
Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(c2)C#N)c2CCCn12
Show InChI InChI=1S/C24H22F3N5O4/c1-12-17(20(34)30-14-5-6-15(25)13(8-14)9-28)16-4-3-7-32(16)18(12)19(33)21(35)31-23(22(36)29-2)10-24(26,27)11-23/h5-6,8H,3-4,7,10-11H2,1-2H3,(H,29,36)(H,30,34)(H,31,35)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 294n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473044
PNG
(US10836769, Example 30)
Show SMILES Cc1c(C(=O)Nc2ccc(F)cc2)c2CCCn2c1C(=O)C(=O)NC1(CC1)c1nncs1
Show InChI InChI=1S/C22H20FN5O3S/c1-12-16(19(30)25-14-6-4-13(23)5-7-14)15-3-2-10-28(15)17(12)18(29)20(31)26-22(8-9-22)21-27-24-11-32-21/h4-7,11H,2-3,8-10H2,1H3,(H,25,30)(H,26,31)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 30.6n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473055
PNG
(US10836769, Example 41)
Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(c2)C(F)F)c2CCCn12
Show InChI InChI=1S/C24H23F5N4O4/c1-11-16(20(35)31-12-5-6-14(25)13(8-12)19(26)27)15-4-3-7-33(15)17(11)18(34)21(36)32-23(22(37)30-2)9-24(28,29)10-23/h5-6,8,19H,3-4,7,9-10H2,1-2H3,(H,30,37)(H,31,35)(H,32,36)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 20.8n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473068
PNG
(US10836769, Example 54)
Show SMILES Fc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(CC(F)(F)C3)c3c[nH]nn3)n3CCCc23)cc1F
Show InChI InChI=1S/C22H17ClF4N6O3/c23-16-15(19(35)29-10-3-4-11(24)12(25)6-10)13-2-1-5-33(13)17(16)18(34)20(36)30-21(8-22(26,27)9-21)14-7-28-32-31-14/h3-4,6-7H,1-2,5,8-9H2,(H,29,35)(H,30,36)(H,28,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 1.60n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473019
PNG
(US10836769, Example 8)
Show SMILES Cc1c(C(=O)Nc2ccc(F)cc2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1nncs1
Show InChI InChI=1S/C23H20F3N5O3S/c1-12-16(19(33)28-14-6-4-13(24)5-7-14)15-3-2-8-31(15)17(12)18(32)20(34)29-22(9-23(25,26)10-22)21-30-27-11-35-21/h4-7,11H,2-3,8-10H2,1H3,(H,28,33)(H,29,34)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 4.70n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473022
PNG
(5-(2-((3,3-difluoro-14(2-methyl-2H-1,2,3-triazol-4...)
Show SMILES Cc1c(C(=O)Nc2ccc(F)cc2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cnn(C)n1
Show InChI InChI=1S/C24H23F3N6O3/c1-13-18(21(35)29-15-7-5-14(25)6-8-15)16-4-3-9-33(16)19(13)20(34)22(36)30-23(11-24(26,27)12-23)17-10-28-32(2)31-17/h5-8,10H,3-4,9,11-12H2,1-2H3,(H,29,35)(H,30,36)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 5.80n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473023
PNG
(5-(2(3,3-difluoro-1-(1-methyl-1H-1,2,3-triazol-4-y...)
Show SMILES Cc1c(C(=O)Nc2ccc(F)cc2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cn(C)nn1
Show InChI InChI=1S/C24H23F3N6O3/c1-13-18(21(35)28-15-7-5-14(25)6-8-15)16-4-3-9-33(16)19(13)20(34)22(36)29-23(11-24(26,27)12-23)17-10-32(2)31-30-17/h5-8,10H,3-4,9,11-12H2,1-2H3,(H,28,35)(H,29,36)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 33.2n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473025
PNG
(US10836769, Example 12)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC1)c1cn(C[Si](C)(C)C)nn1
Show InChI InChI=1S/C26H30F2N6O3Si/c1-15-21(24(36)29-16-7-8-17(27)18(28)12-16)19-6-5-11-34(19)22(15)23(35)25(37)30-26(9-10-26)20-13-33(32-31-20)14-38(2,3)4/h7-8,12-13H,5-6,9-11,14H2,1-4H3,(H,29,36)(H,30,37)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 93.6n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473029
PNG
(US10836769, Example 16)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cnn[nH]1
Show InChI InChI=1S/C23H20ClF3N6O3/c1-11-17(20(35)29-12-4-5-14(25)13(24)7-12)15-3-2-6-33(15)18(11)19(34)21(36)30-22(9-23(26,27)10-22)16-8-28-32-31-16/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,29,35)(H,30,36)(H,28,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 1.80n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473043
PNG
(US10836769, Example 29)
Show SMILES Cc1c(C(=O)Nc2cc(F)c(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC1)c1nncs1
Show InChI InChI=1S/C22H18F3N5O3S/c1-10-15(19(32)27-11-7-12(23)16(25)13(24)8-11)14-3-2-6-30(14)17(10)18(31)20(33)28-22(4-5-22)21-29-26-9-34-21/h7-9H,2-6H2,1H3,(H,27,32)(H,28,33)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 14.3n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473056
PNG
(US10836769, Example 42)
Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2cc(F)c(F)c(F)c2)c2CCCn12
Show InChI InChI=1S/C23H21F5N4O4/c1-10-15(19(34)30-11-6-12(24)16(26)13(25)7-11)14-4-3-5-32(14)17(10)18(33)20(35)31-22(21(36)29-2)8-23(27,28)9-22/h6-7H,3-5,8-9H2,1-2H3,(H,29,36)(H,30,34)(H,31,35)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 12.7n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473057
PNG
(US10836769, Example 43)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC1)c1nncs1
Show InChI InChI=1S/C22H19F2N5O3S/c1-11-16(19(31)26-12-4-5-13(23)14(24)9-12)15-3-2-8-29(15)17(11)18(30)20(32)27-22(6-7-22)21-28-25-10-33-21/h4-5,9-10H,2-3,6-8H2,1H3,(H,26,31)(H,27,32)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 12.8n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473059
PNG
(US10836769, Example 45)
Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)cc2)c2CCCn12
Show InChI InChI=1S/C23H23F3N4O4/c1-12-16(19(32)28-14-7-5-13(24)6-8-14)15-4-3-9-30(15)17(12)18(31)20(33)29-22(21(34)27-2)10-23(25,26)11-22/h5-8H,3-4,9-11H2,1-2H3,(H,27,34)(H,28,32)(H,29,33)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 55.9n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473069
PNG
(US10836769, Example 55)
Show SMILES FC(F)c1cc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(CC(F)(F)C3)c3c[nH]nn3)n3CCCc23)ccc1F
Show InChI InChI=1S/C23H18ClF5N6O3/c24-16-15(20(37)31-10-3-4-12(25)11(6-10)19(26)27)13-2-1-5-35(13)17(16)18(36)21(38)32-22(8-23(28,29)9-22)14-7-30-34-33-14/h3-4,6-7,19H,1-2,5,8-9H2,(H,31,37)(H,32,38)(H,30,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 3n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM472993
PNG
(US10836769, Example 5)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(c2)C#N)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cn(C)nn1
Show InChI InChI=1S/C25H22F3N7O3/c1-13-19(22(37)30-15-5-6-16(26)14(8-15)9-29)17-4-3-7-35(17)20(13)21(36)23(38)31-24(11-25(27,28)12-24)18-10-34(2)33-32-18/h5-6,8,10H,3-4,7,11-12H2,1-2H3,(H,30,37)(H,31,38)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 43.6n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473000
PNG
(US10836769, Example 6)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cn(C)nn1
Show InChI InChI=1S/C24H22F4N6O3/c1-12-18(21(36)29-13-5-6-14(25)15(26)8-13)16-4-3-7-34(16)19(12)20(35)22(37)30-23(10-24(27,28)11-23)17-9-33(2)32-31-17/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,29,36)(H,30,37)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 14n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473028
PNG
(US10836769, Example 15)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(c2)C#N)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cnn[nH]1
Show InChI InChI=1S/C24H20F3N7O3/c1-12-18(21(36)30-14-4-5-15(25)13(7-14)8-28)16-3-2-6-34(16)19(12)20(35)22(37)31-23(10-24(26,27)11-23)17-9-29-33-32-17/h4-5,7,9H,2-3,6,10-11H2,1H3,(H,30,36)(H,31,37)(H,29,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 5.20n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473034
PNG
(US10836769, Example 21)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2[C@H]3C[C@H]3Cn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cnn[nH]1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 3.90n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473051
PNG
(US10836769, Example 37)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(c2)C(F)F)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1c[nH]nn1
Show InChI InChI=1S/C24H21F5N6O3/c1-11-17(21(37)31-12-4-5-14(25)13(7-12)20(26)27)15-3-2-6-35(15)18(11)19(36)22(38)32-23(9-24(28,29)10-23)16-8-30-34-33-16/h4-5,7-8,20H,2-3,6,9-10H2,1H3,(H,31,37)(H,32,38)(H,30,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 3.60n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473052
PNG
(US10836769, Example 38)
Show SMILES CNC(=O)C1(COC1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn12
Show InChI InChI=1S/C22H22F2N4O5/c1-11-16(19(30)26-12-5-6-13(23)14(24)8-12)15-4-3-7-28(15)17(11)18(29)20(31)27-22(9-33-10-22)21(32)25-2/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,25,32)(H,26,30)(H,27,31)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 87.2n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473053
PNG
(US10836769, Example 39)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1c[nH]nn1
Show InChI InChI=1S/C23H20F4N6O3/c1-11-17(20(35)29-12-4-5-13(24)14(25)7-12)15-3-2-6-33(15)18(11)19(34)21(36)30-22(9-23(26,27)10-22)16-8-28-32-31-16/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,29,35)(H,30,36)(H,28,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 2.90n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473064
PNG
(US10836769, Example 50)
Show SMILES COCc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(CC(F)(F)C3)c3nncs3)n3CCCc23)ccc1F
Show InChI InChI=1S/C25H24F3N5O4S/c1-13-18(21(35)30-15-5-6-16(26)14(8-15)9-37-2)17-4-3-7-33(17)19(13)20(34)22(36)31-24(10-25(27,28)11-24)23-32-29-12-38-23/h5-6,8,12H,3-4,7,9-11H2,1-2H3,(H,30,35)(H,31,36)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 33.4n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473067
PNG
(US10836769, Example 53)
Show SMILES Fc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(CC3)c3c[nH]nn3)n3CCCc23)cc1F
Show InChI InChI=1S/C21H17ClF2N6O3/c22-16-15(19(32)26-10-3-4-11(23)12(24)8-10)13-2-1-7-30(13)17(16)18(31)20(33)27-21(5-6-21)14-9-25-29-28-14/h3-4,8-9H,1-2,5-7H2,(H,26,32)(H,27,33)(H,25,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 6.90n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473024
PNG
(US10836769, Example 11)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC1)c1cn(C)nn1
Show InChI InChI=1S/C23H22F2N6O3/c1-12-18(21(33)26-13-5-6-14(24)15(25)10-13)16-4-3-9-31(16)19(12)20(32)22(34)27-23(7-8-23)17-11-30(2)29-28-17/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,26,33)(H,27,34)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 71.2n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473037
PNG
(US10836769, Example 24)
Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)c2C[C@@H]3C[C@@H]3n12
Show InChI InChI=1S/C24H22F4N4O4/c1-10-17(20(34)30-12-3-4-13(25)14(26)7-12)16-6-11-5-15(11)32(16)18(10)19(33)21(35)31-23(22(36)29-2)8-24(27,28)9-23/h3-4,7,11,15H,5-6,8-9H2,1-2H3,(H,29,36)(H,30,34)(H,31,35)/t11-,15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 177n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473048
PNG
(US10836769, Example 34)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2C[C@H]3C[C@H]3n2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cnn[nH]1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 14.4n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473060
PNG
(US10836769, Example 46)
Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn12
Show InChI InChI=1S/C23H22F4N4O4/c1-11-16(19(33)29-12-5-6-13(24)14(25)8-12)15-4-3-7-31(15)17(11)18(32)20(34)30-22(21(35)28-2)9-23(26,27)10-22/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 22.5n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473061
PNG
(US10836769, Example 47 | US10836769, Example 48)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC(C)(C(N)=O)C(F)(F)F
Show InChI InChI=1S/C21H19F5N4O4/c1-9-14(17(32)28-10-5-6-11(22)12(23)8-10)13-4-3-7-30(13)15(9)16(31)18(33)29-20(2,19(27)34)21(24,25)26/h5-6,8H,3-4,7H2,1-2H3,(H2,27,34)(H,28,32)(H,29,33)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 63.9n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM472932
PNG
(US10836769, Example 2)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(c2)C#N)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1nncs1
Show InChI InChI=1S/C24H19F3N6O3S/c1-12-17(20(35)30-14-4-5-15(25)13(7-14)8-28)16-3-2-6-33(16)18(12)19(34)21(36)31-23(9-24(26,27)10-23)22-32-29-11-37-22/h4-5,7,11H,2-3,6,9-10H2,1H3,(H,30,35)(H,31,36)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 4.80n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM472987
PNG
(US10836769, Example 4)
Show SMILES Cc1c(C(=O)Nc2cc(F)c(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cn(C)nn1
Show InChI InChI=1S/C24H21F5N6O3/c1-11-17(21(37)30-12-6-13(25)18(27)14(26)7-12)15-4-3-5-35(15)19(11)20(36)22(38)31-23(9-24(28,29)10-23)16-8-34(2)33-32-16/h6-8H,3-5,9-10H2,1-2H3,(H,30,37)(H,31,38)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 7.5n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473032
PNG
(US10836769, Example 19)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CO)CC(F)(F)C1
Show InChI InChI=1S/C22H21F4N3O4/c1-11-16(19(32)27-12-4-5-13(23)14(24)7-12)15-3-2-6-29(15)17(11)18(31)20(33)28-21(10-30)8-22(25,26)9-21/h4-5,7,30H,2-3,6,8-10H2,1H3,(H,27,32)(H,28,33)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 20.2n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473036
PNG
(US10836769, Example 23)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2C[C@@H]3C[C@@H]3n2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cnn[nH]1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 31.8n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473046
PNG
(US10836769, Example 32)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(c2)C(F)F)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)C(N)=O
Show InChI InChI=1S/C23H21F5N4O4/c1-10-15(19(34)30-11-4-5-13(24)12(7-11)18(25)26)14-3-2-6-32(14)16(10)17(33)20(35)31-22(21(29)36)8-23(27,28)9-22/h4-5,7,18H,2-3,6,8-9H2,1H3,(H2,29,36)(H,30,34)(H,31,35)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 24.2n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473066
PNG
(US10836769, Example 52)
Show SMILES Fc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(CC3)c3nncs3)n3CCCc23)cc1F
Show InChI InChI=1S/C21H16ClF2N5O3S/c22-15-14(18(31)26-10-3-4-11(23)12(24)8-10)13-2-1-7-29(13)16(15)17(30)19(32)27-21(5-6-21)20-28-25-9-33-20/h3-4,8-9H,1-2,5-7H2,(H,26,31)(H,27,32)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 11n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473031
PNG
(US10836769, Example 18)
Show SMILES Cc1c(C(=O)Nc2cc(F)c(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cnn[nH]1
Show InChI InChI=1S/C23H19F5N6O3/c1-10-16(20(36)30-11-5-12(24)17(26)13(25)6-11)14-3-2-4-34(14)18(10)19(35)21(37)31-22(8-23(27,28)9-22)15-7-29-33-32-15/h5-7H,2-4,8-9H2,1H3,(H,30,36)(H,31,37)(H,29,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 2.40n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473035
PNG
(US10836769, Example 22)
Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)c2[C@H]3C[C@H]3Cn12
Show InChI InChI=1S/C24H22F4N4O4/c1-10-16(20(34)30-12-3-4-14(25)15(26)6-12)18-13-5-11(13)7-32(18)17(10)19(33)21(35)31-23(22(36)29-2)8-24(27,28)9-23/h3-4,6,11,13H,5,7-9H2,1-2H3,(H,29,36)(H,30,34)(H,31,35)/t11-,13-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 31.5n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473045
PNG
(US10836769, Example 31)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(c2)C(F)F)c2CCCn2c1C(=O)C(=O)NC1(CC1)c1nncs1
Show InChI InChI=1S/C23H20F3N5O3S/c1-11-16(20(33)28-12-4-5-14(24)13(9-12)19(25)26)15-3-2-8-31(15)17(11)18(32)21(34)29-23(6-7-23)22-30-27-10-35-22/h4-5,9-10,19H,2-3,6-8H2,1H3,(H,28,33)(H,29,34)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 16.5n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473054
PNG
(US10836769, Example 40)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC1)c1c[nH]nn1
Show InChI InChI=1S/C22H20F2N6O3/c1-11-17(20(32)26-12-4-5-13(23)14(24)9-12)15-3-2-8-30(15)18(11)19(31)21(33)27-22(6-7-22)16-10-25-29-28-16/h4-5,9-10H,2-3,6-8H2,1H3,(H,26,32)(H,27,33)(H,25,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 14.7n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473070
PNG
(US10836769, Example 56)
Show SMILES FC(F)c1cc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(CC3)c3c[nH]nn3)n3CCCc23)ccc1F
Show InChI InChI=1S/C22H18ClF3N6O3/c23-16-15(20(34)28-10-3-4-12(24)11(8-10)19(25)26)13-2-1-7-32(13)17(16)18(33)21(35)29-22(5-6-22)14-9-27-31-30-14/h3-4,8-9,19H,1-2,5-7H2,(H,28,34)(H,29,35)(H,27,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 30.2n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM472915
PNG
(US10836769, Example 1)
Show SMILES Cc1c(C(=O)Nc2cc(F)c(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1nncs1
Show InChI InChI=1S/C23H18F5N5O3S/c1-10-15(19(35)30-11-5-12(24)16(26)13(25)6-11)14-3-2-4-33(14)17(10)18(34)20(36)31-22(7-23(27,28)8-22)21-32-29-9-37-21/h5-6,9H,2-4,7-8H2,1H3,(H,30,35)(H,31,36)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 2.5n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473030
PNG
(US10836769, Example 17)
Show SMILES Cc1c(C(=O)Nc2ccc(F)cc2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)c1cnn[nH]1
Show InChI InChI=1S/C23H21F3N6O3/c1-12-17(20(34)28-14-6-4-13(24)5-7-14)15-3-2-8-32(15)18(12)19(33)21(35)29-22(10-23(25,26)11-22)16-9-27-31-30-16/h4-7,9H,2-3,8,10-11H2,1H3,(H,28,34)(H,29,35)(H,27,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 4.10n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473033
PNG
(US10836769, Example 20)
Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccnc(C(F)F)c2F)c2CCCn12
Show InChI InChI=1S/C23H22F5N5O4/c1-10-13(19(35)31-11-5-6-30-15(14(11)24)18(25)26)12-4-3-7-33(12)16(10)17(34)20(36)32-22(21(37)29-2)8-23(27,28)9-22/h5-6,18H,3-4,7-9H2,1-2H3,(H,29,37)(H,32,36)(H,30,31,35)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 503n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473041
PNG
(US10836769, Example 27)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(c2)C(F)F)c2CCCn2c1C(=O)C(=O)NC1(CC1)c1c[nH]nn1
Show InChI InChI=1S/C23H21F3N6O3/c1-11-17(21(34)28-12-4-5-14(24)13(9-12)20(25)26)15-3-2-8-32(15)18(11)19(33)22(35)29-23(6-7-23)16-10-27-31-30-16/h4-5,9-10,20H,2-3,6-8H2,1H3,(H,28,34)(H,29,35)(H,27,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 23n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473047
PNG
(US10836769, Example 33)
Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)c2C[C@H]3C[C@H]3n12
Show InChI InChI=1S/C24H22F4N4O4/c1-10-17(20(34)30-12-3-4-13(25)14(26)7-12)16-6-11-5-15(11)32(16)18(10)19(33)21(35)31-23(22(36)29-2)8-24(27,28)9-23/h3-4,7,11,15H,5-6,8-9H2,1-2H3,(H,29,36)(H,30,34)(H,31,35)/t11-,15-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 93.6n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473049
PNG
(US10836769, Example 35)
Show SMILES CNC(=O)C1(CC(F)(F)C1)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(Cl)c2)c2CCCn12
Show InChI InChI=1S/C23H22ClF3N4O4/c1-11-16(19(33)29-12-5-6-14(25)13(24)8-12)15-4-3-7-31(15)17(11)18(32)20(34)30-22(21(35)28-2)9-23(26,27)10-22/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 14.2n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473050
PNG
(US10836769, Example 36)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(COC1)c1c[nH]nn1
Show InChI InChI=1S/C22H20F2N6O4/c1-11-17(20(32)26-12-4-5-13(23)14(24)7-12)15-3-2-6-30(15)18(11)19(31)21(33)27-22(9-34-10-22)16-8-25-29-28-16/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,26,32)(H,27,33)(H,25,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 21.4n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473061
PNG
(US10836769, Example 47 | US10836769, Example 48)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC(C)(C(N)=O)C(F)(F)F
Show InChI InChI=1S/C21H19F5N4O4/c1-9-14(17(32)28-10-5-6-11(22)12(23)8-10)13-4-3-7-30(13)15(9)16(31)18(33)29-20(2,19(27)34)21(24,25)26/h5-6,8H,3-4,7H2,1-2H3,(H2,27,34)(H,28,32)(H,29,33)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 54.1n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM473058
PNG
(US10836769, Example 44)
Show SMILES Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2CCCn2c1C(=O)C(=O)NC1(CC(F)(F)C1)C(N)=O
Show InChI InChI=1S/C22H20F4N4O4/c1-10-15(18(32)28-11-4-5-12(23)13(24)7-11)14-3-2-6-30(14)16(10)17(31)19(33)29-21(20(27)34)8-22(25,26)9-21/h4-5,7H,2-3,6,8-9H2,1H3,(H2,27,34)(H,28,32)(H,29,33)
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
n/an/an/an/a 15.2n/an/an/an/a


TBA

Assay Description
A HepG2 cell line overexpressing the HBV virus attachment receptor sodium-taurocholate cotransporting polypeptide (NTCP) was grown to confluency in D...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%