BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 111 hits Enz. Inhib. hit(s) with Target = 'Core antigen'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Core antigen


(Hepatitis B virus)
BDBM50371196
PNG
(CHEMBL236749)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C45H57N9O11/c1-3-25(2)38(45(64)65)54-42(61)34(21-37(47)57)51-44(63)36(24-56)53-41(60)33(19-27-14-8-5-9-15-27)49-40(59)32(18-26-12-6-4-7-13-26)50-43(62)35(23-55)52-39(58)30(46)20-28-22-48-31-17-11-10-16-29(28)31/h4-17,22,25,30,32-36,38,48,55-56H,3,18-21,23-24,46H2,1-2H3,(H2,47,57)(H,49,59)(H,50,62)(H,51,63)(H,52,58)(H,53,60)(H,54,61)(H,64,65)/t25-,30-,32-,33-,34-,35-,36-,38-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.85E+4n/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Binding affinity to HBcAg


J Med Chem 50: 5620-6 (2007)


Article DOI: 10.1021/jm070468d
BindingDB Entry DOI: 10.7270/Q2X92C46
More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50371195
PNG
(CHEMBL395636)
Show SMILES CSCC[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C56H101N21O14S2/c1-30(2)22-39(47(83)67-27-44(80)70-36(13-10-18-64-55(59)60)48(84)73-38(16-21-93-7)50(86)71-35(12-8-9-17-57)46(82)66-26-43(79)69-32(5)54(90)91)75-51(87)40(23-31(3)4)76-53(89)42(28-78)77-49(85)37(14-11-19-65-56(61)62)72-52(88)41(24-33-25-63-29-68-33)74-45(81)34(58)15-20-92-6/h25,29-32,34-42,78H,8-24,26-28,57-58H2,1-7H3,(H,63,68)(H,66,82)(H,67,83)(H,69,79)(H,70,80)(H,71,86)(H,72,88)(H,73,84)(H,74,81)(H,75,87)(H,76,89)(H,77,85)(H,90,91)(H4,59,60,64)(H4,61,62,65)/t32-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 7.94E+4n/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Binding affinity to HBcAg


J Med Chem 50: 5620-6 (2007)


Article DOI: 10.1021/jm070468d
BindingDB Entry DOI: 10.7270/Q2X92C46
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324403
PNG
(US10189835, Compound 434)
Show SMILES CON(C)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C16H18ClN5O3/c1-21(25-2)15(23)14-12-9-22(7-6-13(12)19-20-14)16(24)18-11-5-3-4-10(17)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,18,24)(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<100n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324405
PNG
(US10189835, Compound 561)
Show SMILES CCCC(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H19ClN4O2/c1-2-4-15(23)16-13-10-22(8-7-14(13)20-21-16)17(24)19-12-6-3-5-11(18)9-12/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,19,24)(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<100n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324406
PNG
(US10189835, Compound 587)
Show SMILES CN(O)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C15H16ClN5O3/c1-20(24)14(22)13-11-8-21(6-5-12(11)18-19-13)15(23)17-10-4-2-3-9(16)7-10/h2-4,7,24H,5-6,8H2,1H3,(H,17,23)(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<1.00E+3n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324408
PNG
(US10189835, Compound 599)
Show SMILES CCON(C)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H20ClN5O3/c1-3-26-22(2)16(24)15-13-10-23(8-7-14(13)20-21-15)17(25)19-12-6-4-5-11(18)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,19,25)(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<100n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324409
PNG
(US10189835, Compound 795)
Show SMILES CCCON(C)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C18H22ClN5O3/c1-3-9-27-23(2)17(25)16-14-11-24(8-7-15(14)21-22-16)18(26)20-13-6-4-5-12(19)10-13/h4-6,10H,3,7-9,11H2,1-2H3,(H,20,26)(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<500n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324410
PNG
(US10189835, Compound 796)
Show SMILES CN(OCCO)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H20ClN5O4/c1-22(27-8-7-24)16(25)15-13-10-23(6-5-14(13)20-21-15)17(26)19-12-4-2-3-11(18)9-12/h2-4,9,24H,5-8,10H2,1H3,(H,19,26)(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<500n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324411
PNG
(US10189835, Compound 798)
Show SMILES CC(C)CON(C)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C19H24ClN5O3/c1-12(2)11-28-24(3)18(26)17-15-10-25(8-7-16(15)22-23-17)19(27)21-14-6-4-5-13(20)9-14/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,21,27)(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<500n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324412
PNG
(US10189835, Compound 800)
Show SMILES COCCON(C)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C18H22ClN5O4/c1-23(28-9-8-27-2)17(25)16-14-11-24(7-6-15(14)21-22-16)18(26)20-13-5-3-4-12(19)10-13/h3-5,10H,6-9,11H2,1-2H3,(H,20,26)(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<500n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324413
PNG
(US10189835, Compound 803)
Show SMILES CN(OCC1CC1)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClN5O3/c1-24(28-11-12-5-6-12)18(26)17-15-10-25(8-7-16(15)22-23-17)19(27)21-14-4-2-3-13(20)9-14/h2-4,9,12H,5-8,10-11H2,1H3,(H,21,27)(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<500n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324415
PNG
(US10189835, Compound 805)
Show SMILES CN(OC1CCC1)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClN5O3/c1-24(28-14-6-3-7-14)18(26)17-15-11-25(9-8-16(15)22-23-17)19(27)21-13-5-2-4-12(20)10-13/h2,4-5,10,14H,3,6-9,11H2,1H3,(H,21,27)(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<100n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324416
PNG
(US10189835, Compound 594)
Show SMILES CCN(OC)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H20ClN5O3/c1-3-23(26-2)16(24)15-13-10-22(8-7-14(13)20-21-15)17(25)19-12-6-4-5-11(18)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H,19,25)(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<100n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324417
PNG
(US10189835, Compound 595)
Show SMILES CON(C(C)C)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C18H22ClN5O3/c1-11(2)24(27-3)17(25)16-14-10-23(8-7-15(14)21-22-16)18(26)20-13-6-4-5-12(19)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H,20,26)(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<500n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324418
PNG
(US10189835, Compound 600)
Show SMILES CC(C)ON(C)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C18H22ClN5O3/c1-11(2)27-23(3)17(25)16-14-10-24(8-7-15(14)21-22-16)18(26)20-13-6-4-5-12(19)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H,20,26)(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<100n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324419
PNG
(US10189835, Compound 695)
Show SMILES CCC(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C16H17ClN4O2/c1-2-14(22)15-12-9-21(7-6-13(12)19-20-15)16(23)18-11-5-3-4-10(17)8-11/h3-5,8H,2,6-7,9H2,1H3,(H,18,23)(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<500n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324421
PNG
(US10189835, Compound 697)
Show SMILES OC1CON(C1)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1/C17H18ClN5O4/c18-10-2-1-3-11(6-10)19-17(26)22-5-4-14-13(8-22)15(21-20-14)16(25)23-7-12(24)9-27-23/h1-3,6,12,24H,4-5,7-9H2,(H,19,26)(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<1.00E+3n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324422
PNG
(US10189835, Compound 698)
Show SMILES FC1CON(C1)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1/C17H17ClFN5O3/c18-10-2-1-3-12(6-10)20-17(26)23-5-4-14-13(8-23)15(22-21-14)16(25)24-7-11(19)9-27-24/h1-3,6,11H,4-5,7-9H2,(H,20,26)(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<100n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324423
PNG
(US10189835, Compound 699)
Show SMILES Clc1cccc(NC(=O)N2CCc3[nH]nc(C(=O)N4CCCO4)c3C2)c1
Show InChI InChI=1S/C17H18ClN5O3/c18-11-3-1-4-12(9-11)19-17(25)22-7-5-14-13(10-22)15(21-20-14)16(24)23-6-2-8-26-23/h1,3-4,9H,2,5-8,10H2,(H,19,25)(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<500n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324424
PNG
(US10189835, Compound 828)
Show SMILES CON(C)C(=O)c1n[nH]c2CC(C)N(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1/C17H20ClN5O3/c1-10-7-14-13(15(21-20-14)16(24)22(2)26-3)9-23(10)17(25)19-12-6-4-5-11(18)8-12/h4-6,8,10H,7,9H2,1-3H3,(H,19,25)(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<100n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324424
PNG
(US10189835, Compound 828)
Show SMILES CON(C)C(=O)c1n[nH]c2CC(C)N(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1/C17H20ClN5O3/c1-10-7-14-13(15(21-20-14)16(24)22(2)26-3)9-23(10)17(25)19-12-6-4-5-11(18)8-12/h4-6,8,10H,7,9H2,1-3H3,(H,19,25)(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<500n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324425
PNG
(US10189835, Compound 910)
Show SMILES CN(OC1CCOC1)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1/C19H22ClN5O4/c1-24(29-14-6-8-28-11-14)18(26)17-15-10-25(7-5-16(15)22-23-17)19(27)21-13-4-2-3-12(20)9-13/h2-4,9,14H,5-8,10-11H2,1H3,(H,21,27)(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<500n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324426
PNG
(US10189835, Compound 912)
Show SMILES CN(OC1CN(C)C1)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN6O3/c1-24-9-14(10-24)29-25(2)18(27)17-15-11-26(7-6-16(15)22-23-17)19(28)21-13-5-3-4-12(20)8-13/h3-5,8,14H,6-7,9-11H2,1-2H3,(H,21,28)(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<500n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Capsid protein


(Hepatitis B virus genotype C subtype ayr (isolate ...)
BDBM324427
PNG
(US10189835, Compound 937)
Show SMILES CN(C)N(C)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C17H21ClN6O2/c1-22(2)23(3)16(25)15-13-10-24(8-7-14(13)20-21-15)17(26)19-12-6-4-5-11(18)9-12/h4-6,9H,7-8,10H2,1-3H3,(H,19,26)(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a<100n/an/an/an/a



NOVIRA THERAPEUTICS, INC.

US Patent


Assay Description
HBV replication inhibition by the compounds of this invention could be determined in cells infected or transfected with HBV, or cells with stably int...


US Patent US10189835 (2019)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q2KP8482
More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50278715
PNG
(BAY-414109 | CHEMBL605300)
Show SMILES COC(=O)C1=C(C)NC(=N[C@H]1c1ccc(F)cc1Cl)c1ncc(F)cc1F
Show InChI InChI=1S/C18H13ClF3N3O2/c1-8-14(18(26)27-2)15(11-4-3-9(20)5-12(11)19)25-17(24-8)16-13(22)6-10(21)7-23-16/h3-7,15H,1-2H3,(H,24,25)/t15-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 430n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HBV C150-Bodipy FL N-(2-aminoethyl) maleimide labeled capsid assessed as reduction in NaCl-induced capsid assembly preincubated for 15 ...


ACS Med Chem Lett 8: 969-974 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50278716
PNG
(CHEMBL4101961)
Show SMILES COC(=O)C1=C(CN2CCOCC2)NC(=N[C@H]1c1ccc(F)cc1Br)c1nccs1
Show InChI InChI=1S/C20H20BrFN4O3S/c1-28-20(27)16-15(11-26-5-7-29-8-6-26)24-18(19-23-4-9-30-19)25-17(16)13-3-2-12(22)10-14(13)21/h2-4,9-10,17H,5-8,11H2,1H3,(H,24,25)/t17-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HBV C150-Bodipy FL N-(2-aminoethyl) maleimide labeled capsid assessed as reduction in NaCl-induced capsid assembly preincubated for 15 ...


ACS Med Chem Lett 8: 969-974 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50278717
PNG
(CHEMBL4163583)
Show SMILES COC(=O)C1=C2C[C@@H](CN2C(=N[C@H]1c1ccc(F)cc1Cl)c1nccs1)NS(C)(=O)=O
Show InChI InChI=1S/C19H18ClFN4O4S2/c1-29-19(26)15-14-8-11(24-31(2,27)28)9-25(14)17(18-22-5-6-30-18)23-16(15)12-4-3-10(21)7-13(12)20/h3-7,11,16,24H,8-9H2,1-2H3/t11-,16-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 800n/an/an/an/an/an/a



WuXi AppTec (Shanghai) Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of HBV C150-Bodipy FL N-(2-aminoethyl) maleimide labeled capsid assessed as reduction in NaCl-induced capsid assembly preincubated for 15 ...


ACS Med Chem Lett 8: 969-974 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50456498
PNG
(CHEMBL4204204)
Show SMILES Fc1ccc(NC(=O)c2cc(NS(=O)(=O)C3CC3)ccc2F)cc1F
Show InChI InChI=1S/C16H13F3N2O3S/c17-13-5-2-10(21-25(23,24)11-3-4-11)7-12(13)16(22)20-9-1-6-14(18)15(19)8-9/h1-2,5-8,11,21H,3-4H2,(H,20,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/an/an/a 5.50E+3n/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of capsid in HBV infected in human HepAD38 cells assessed as reduction in tetracycline-induced cccDNA formation by measuring reduction in ...


Eur J Med Chem 138: 407-421 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50456499
PNG
(CHEMBL4216398)
Show SMILES Fc1ccc(NC(=O)c2cc(NS(=O)(=O)C3CCCCC3)ccc2F)cc1F
Show InChI InChI=1S/C19H19F3N2O3S/c20-16-8-7-13(24-28(26,27)14-4-2-1-3-5-14)10-15(16)19(25)23-12-6-9-17(21)18(22)11-12/h6-11,14,24H,1-5H2,(H,23,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/an/an/a 9.70E+3n/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of capsid in HBV infected in human HepAD38 cells assessed as reduction in tetracycline-induced cccDNA formation by measuring reduction in ...


Eur J Med Chem 138: 407-421 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50456500
PNG
(CHEMBL1730444)
Show SMILES Fc1ccc(NC(=O)c2cc(ccc2F)S(=O)(=O)NC2CCCC2)cc1F
Show InChI InChI=1S/C18H17F3N2O3S/c19-15-8-6-13(27(25,26)23-11-3-1-2-4-11)10-14(15)18(24)22-12-5-7-16(20)17(21)9-12/h5-11,23H,1-4H2,(H,22,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/an/an/a 1.30E+3n/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of capsid in HBV infected in human HepAD38 cells assessed as reduction in tetracycline-induced cccDNA formation by measuring reduction in ...


Eur J Med Chem 138: 407-421 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50456501
PNG
(CHEMBL4204727)
Show SMILES Fc1ccc(NC(=O)c2cc(NS(=O)(=O)C3CCCC3)ccc2F)cc1F
Show InChI InChI=1S/C18H17F3N2O3S/c19-15-7-6-12(23-27(25,26)13-3-1-2-4-13)9-14(15)18(24)22-11-5-8-16(20)17(21)10-11/h5-10,13,23H,1-4H2,(H,22,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/an/an/a 6.00E+3n/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of capsid in HBV infected in human HepAD38 cells assessed as reduction in tetracycline-induced cccDNA formation by measuring reduction in ...


Eur J Med Chem 138: 407-421 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50366817
PNG
(Epivir)
Show SMILES Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1
Show InChI InChI=1/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/s2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of capsid in HBV infected in human HepAD38 cells assessed as reduction in tetracycline-induced cccDNA formation by measuring reduction in ...


Eur J Med Chem 138: 407-421 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50247812
PNG
(CHEMBL3742114)
Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nccs1
Show InChI InChI=1/C21H22BrFN4O3S/c1-2-30-21(28)17-16(12-27-6-8-29-9-7-27)25-19(20-24-5-10-31-20)26-18(17)14-4-3-13(23)11-15(14)22/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 700n/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of capsid in HBV infected in human HepAD38 cells assessed as reduction in tetracycline-induced cccDNA formation by measuring reduction in ...


Eur J Med Chem 138: 407-421 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50456502
PNG
(CHEMBL4213671)
Show SMILES Fc1ccc(NC(=O)c2cc(ccc2F)S(=O)(=O)N2CC(F)(F)C2)cc1F
Show InChI InChI=1S/C16H11F5N2O3S/c17-12-4-2-10(27(25,26)23-7-16(20,21)8-23)6-11(12)15(24)22-9-1-3-13(18)14(19)5-9/h1-6H,7-8H2,(H,22,24)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of capsid in HBV infected in human HepAD38 cells assessed as reduction in tetracycline-induced cccDNA formation by measuring reduction in ...


Eur J Med Chem 138: 407-421 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50248008
PNG
(BMS-200475-01 | Baraclude | CHEBI:473990 | ENTECAV...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO)C1=C
Show InChI InChI=1/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/s2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of capsid in HBV infected in human HepAD38 cells assessed as reduction in tetracycline-induced cccDNA formation by measuring reduction in ...


Eur J Med Chem 138: 407-421 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50247812
PNG
(CHEMBL3742114)
Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nccs1
Show InChI InChI=1/C21H22BrFN4O3S/c1-2-30-21(28)17-16(12-27-6-8-29-9-7-27)25-19(20-24-5-10-31-20)26-18(17)14-4-3-13(23)11-15(14)22/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 12n/an/an/an/a



Sunshine Lake Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of reverse transcriptase M204I/S202G double mutant expressing entecavir-resistant hepatitis B virus capsid assembly in human Huh7 cells as...


Bioorg Med Chem 25: 1042-1056 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50001103
PNG
((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/an/an/a 83n/an/an/an/a



Sunshine Lake Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by...


Bioorg Med Chem 25: 1042-1056 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50278715
PNG
(BAY-414109 | CHEMBL605300)
Show SMILES COC(=O)C1=C(C)NC(=N[C@H]1c1ccc(F)cc1Cl)c1ncc(F)cc1F
Show InChI InChI=1S/C18H13ClF3N3O2/c1-8-14(18(26)27-2)15(11-4-3-9(20)5-12(11)19)25-17(24-8)16-13(22)6-10(21)7-23-16/h3-7,15H,1-2H3,(H,24,25)/t15-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 48n/an/an/an/a



Sunshine Lake Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by...


Bioorg Med Chem 25: 1042-1056 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50247732
PNG
(CHEMBL4082519)
Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)n1cncn1
Show InChI InChI=1/C20H22BrFN6O3/c1-2-31-19(29)17-16(10-27-5-7-30-8-6-27)25-20(28-12-23-11-24-28)26-18(17)14-4-3-13(22)9-15(14)21/h3-4,9,11-12,18H,2,5-8,10H2,1H3,(H,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a>1.64E+4n/an/an/an/a



Sunshine Lake Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by...


Bioorg Med Chem 25: 1042-1056 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50247801
PNG
(CHEMBL4070728)
Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1ccccn1
Show InChI InChI=1/C23H24BrFN4O3/c1-2-32-23(30)20-19(14-29-9-11-31-12-10-29)27-22(18-5-3-4-8-26-18)28-21(20)16-7-6-15(25)13-17(16)24/h3-8,13,21H,2,9-12,14H2,1H3,(H,27,28)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 42n/an/an/an/a



Sunshine Lake Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by...


Bioorg Med Chem 25: 1042-1056 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50247811
PNG
(CHEMBL4078766)
Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(Cl)cc1Cl)c1nccs1
Show InChI InChI=1/C21H22Cl2N4O3S/c1-2-30-21(28)17-16(12-27-6-8-29-9-7-27)25-19(20-24-5-10-31-20)26-18(17)14-4-3-13(22)11-15(14)23/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 3n/an/an/an/a



Sunshine Lake Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by...


Bioorg Med Chem 25: 1042-1056 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50450781
PNG
(CHEMBL4205737)
Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1F)c1nccs1
Show InChI InChI=1S/C21H22F2N4O3S/c1-2-30-21(28)17-16(12-27-6-8-29-9-7-27)25-19(20-24-5-10-31-20)26-18(17)14-4-3-13(22)11-15(14)23/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/an/an/a 26n/an/an/an/a



Sunshine Lake Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by...


Bioorg Med Chem 25: 1042-1056 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50450782
PNG
(CHEMBL4209011)
Show SMILES CCOC(=O)C1=C(CN2CC[S+]([O-])CC2)NC(=NC1c1ccc(F)cc1Cl)c1nccs1
Show InChI InChI=1S/C21H22ClFN4O3S2/c1-2-30-21(28)17-16(12-27-6-9-32(29)10-7-27)25-19(20-24-5-8-31-20)26-18(17)14-4-3-13(23)11-15(14)22/h3-5,8,11,18H,2,6-7,9-10,12H2,1H3,(H,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/an/an/a 100n/an/an/an/a



Sunshine Lake Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by...


Bioorg Med Chem 25: 1042-1056 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50450783
PNG
(CHEMBL4208472)
Show SMILES CCOC(=O)C1=C(CN2CCCCC2)NC(=NC1c1ccc(F)cc1Cl)c1nccs1
Show InChI InChI=1S/C22H24ClFN4O2S/c1-2-30-22(29)18-17(13-28-9-4-3-5-10-28)26-20(21-25-8-11-31-21)27-19(18)15-7-6-14(24)12-16(15)23/h6-8,11-12,19H,2-5,9-10,13H2,1H3,(H,26,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/an/an/a 3.50E+3n/an/an/an/a



Sunshine Lake Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by...


Bioorg Med Chem 25: 1042-1056 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50450784
PNG
(CHEMBL4217281)
Show SMILES CCOC(=O)C1=C(COCCOC)NC(=NC1c1ccc(F)cc1Cl)c1nccs1
Show InChI InChI=1S/C20H21ClFN3O4S/c1-3-29-20(26)16-15(11-28-8-7-27-2)24-18(19-23-6-9-30-19)25-17(16)13-5-4-12(22)10-14(13)21/h4-6,9-10,17H,3,7-8,11H2,1-2H3,(H,24,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/an/an/a 200n/an/an/an/a



Sunshine Lake Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by...


Bioorg Med Chem 25: 1042-1056 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50450785
PNG
(CHEMBL4205160)
Show SMILES CCOC(=O)C1=C(CO)NC(=NC1c1ccc(F)cc1Cl)c1nccs1
Show InChI InChI=1S/C17H15ClFN3O3S/c1-2-25-17(24)13-12(8-23)21-15(16-20-5-6-26-16)22-14(13)10-4-3-9(19)7-11(10)18/h3-7,14,23H,2,8H2,1H3,(H,21,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/an/an/a>1.64E+4n/an/an/an/a



Sunshine Lake Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by...


Bioorg Med Chem 25: 1042-1056 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50247734
PNG
(CHEMBL4077161)
Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1cccs1
Show InChI InChI=1/C22H23BrFN3O3S/c1-2-30-22(28)19-17(13-27-7-9-29-10-8-27)25-21(18-4-3-11-31-18)26-20(19)15-6-5-14(24)12-16(15)23/h3-6,11-12,20H,2,7-10,13H2,1H3,(H,25,26)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 69n/an/an/an/a



Sunshine Lake Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by...


Bioorg Med Chem 25: 1042-1056 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50450786
PNG
(CHEMBL4212075)
Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nnc(C)s1
Show InChI InChI=1S/C21H23BrFN5O3S/c1-3-31-21(29)17-16(11-28-6-8-30-9-7-28)24-19(20-27-26-12(2)32-20)25-18(17)14-5-4-13(23)10-15(14)22/h4-5,10,18H,3,6-9,11H2,1-2H3,(H,24,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
UniChem
PubMed
n/an/an/an/a>1.64E+4n/an/an/an/a



Sunshine Lake Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by...


Bioorg Med Chem 25: 1042-1056 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50247735
PNG
(CHEMBL4075908)
Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nncs1
Show InChI InChI=1/C20H21BrFN5O3S/c1-2-30-20(28)16-15(10-27-5-7-29-8-6-27)24-18(19-26-23-11-31-19)25-17(16)13-4-3-12(22)9-14(13)21/h3-4,9,11,17H,2,5-8,10H2,1H3,(H,24,25)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 35n/an/an/an/a



Sunshine Lake Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by...


Bioorg Med Chem 25: 1042-1056 (2017)

More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50247800
PNG
(CHEMBL4068707)
Show SMILES CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1ncc(OC)s1
Show InChI InChI=1/C22H24BrFN4O4S/c1-3-32-22(29)18-16(12-28-6-8-31-9-7-28)26-20(21-25-11-17(30-2)33-21)27-19(18)14-5-4-13(24)10-15(14)23/h4-5,10-11,19H,3,6-9,12H2,1-2H3,(H,26,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a>1.64E+4n/an/an/an/a



Sunshine Lake Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by...


Bioorg Med Chem 25: 1042-1056 (2017)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 111 total )  |  Next  |  Last  >>
Jump to: