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Compile Data Set for Download or QSAR

Found 317 hits Enz. Inhib. hit(s) with Target = 'Capsid protein'   
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
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM275769
PNG
(Hexadecyloxypropyl-cyclic cidofovir | US10071110, ...)
Show SMILES CCCCCCCCCCCCCCCCOCCCOP1(=O)COC(Cn2ccc(N)nc2=O)CO1
Show InChI InChI=1S/C27H50N3O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-33-20-16-21-35-37(32)24-34-25(23-36-37)22-30-18-17-26(28)29-27(30)31/h17-18,25H,2-16,19-24H2,1H3,(H2,28,29,31)
PDB
MMDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/an/an/a 0.5n/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Antiviral assays for HCMV DNA were carried out by DNA hybridization as reported by Dankner, W. M., Scholl, D., Stanat, S. C., Martin, M., Souke, R. L...


US Patent US10071110 (2018)

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

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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)

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

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UniChem
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)

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=1S/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

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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)

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

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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)

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

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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)

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

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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)

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

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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)

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=1S/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

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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)

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

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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)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM275767
PNG
(US10071110, Compound CDV | US10071110, Compound Ci...)
Show SMILES Nc1ccn(CC(CO)OCP(O)(O)=O)c(=O)n1
Show InChI InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)
PDB
MMDB

UniProtKB/SwissProt

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PDB
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US Patent
n/an/an/an/a 450n/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Antiviral assays for HCMV DNA were carried out by DNA hybridization as reported by Dankner, W. M., Scholl, D., Stanat, S. C., Martin, M., Souke, R. L...


US Patent US10071110 (2018)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM275768
PNG
(CYCLIC CIDOFOVIR | Cyclic-hpmpc | US10071110, Comp...)
Show SMILES Nc1ccn(CC2COP(O)(=O)CO2)c(=O)n1
Show InChI InChI=1S/C8H12N3O5P/c9-7-1-2-11(8(12)10-7)3-6-4-16-17(13,14)5-15-6/h1-2,6H,3-5H2,(H,13,14)(H2,9,10,12)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 470n/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Antiviral assays for HCMV DNA were carried out by DNA hybridization as reported by Dankner, W. M., Scholl, D., Stanat, S. C., Martin, M., Souke, R. L...


US Patent US10071110 (2018)

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

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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)

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

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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)

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

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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)

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=1S/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

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PC cid
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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)

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=1S/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

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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)

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

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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)

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

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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)

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

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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)

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

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PC sid
UniChem
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)

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
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PC sid
UniChem
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)

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)
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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)

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=1S/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)
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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)

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)
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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)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
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)
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n/an/an/an/a 5.50E+4n/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Antiviral assays for HCMV DNA were carried out by DNA hybridization as reported by Dankner, W. M., Scholl, D., Stanat, S. C., Martin, M., Souke, R. L...


US Patent US10071110 (2018)

More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133948
PNG
((S)-2-[(3aS,6S,6aR)-4-(6-Hydroxymethyl-benzothiazo...)
Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3ccc(CO)cc3s2)cc1
Show InChI InChI=1S/C30H35N5O4S/c1-17(2)20-7-9-21(10-8-20)31-29(39)33-13-4-5-24(33)28(38)34-14-12-23-26(34)18(3)27(37)35(23)30-32-22-11-6-19(16-36)15-25(22)40-30/h6-11,15,17-18,23-24,26,36H,4-5,12-14,16H2,1-3H3,(H,31,39)/t18-,23-,24-,26+/m0/s1
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0.310n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133960
PNG
((S)-2-((3aS,6S,6aR)-4-Cyclopropanecarbonyl-6-methy...)
Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)C2CC2)cc1
Show InChI InChI=1S/C26H34N4O4/c1-15(2)17-8-10-19(11-9-17)27-26(34)28-13-4-5-21(28)25(33)29-14-12-20-22(29)16(3)23(31)30(20)24(32)18-6-7-18/h8-11,15-16,18,20-22H,4-7,12-14H2,1-3H3,(H,27,34)/t16-,20-,21-,22+/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133962
PNG
((3S,3aR,6aS)-4-({(2S)-1-[(5-Chloro-3-methyl-1-benz...)
Show SMILES C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2C(=O)c2sc3ccc(Cl)cc3c2C)N(C(=O)C2CC2)C1=O
Show InChI InChI=1S/C26H28ClN3O4S/c1-13-17-12-16(27)7-8-20(17)35-22(13)26(34)28-10-3-4-19(28)25(33)29-11-9-18-21(29)14(2)23(31)30(18)24(32)15-5-6-15/h7-8,12,14-15,18-19,21H,3-6,9-11H2,1-2H3/t14-,18-,19-,21+/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133951
PNG
(2-{(3S,3aR,6aS)-4-[(S)-1-(4-Isopropyl-phenylcarbam...)
Show SMILES CCOC(=O)c1ccc2nc(sc2c1)N1[C@H]2CCN([C@@H]2[C@H](C)C1=O)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(cc1)C(C)C
Show InChI InChI=1S/C32H37N5O5S/c1-5-42-30(40)21-10-13-23-26(17-21)43-32(34-23)37-24-14-16-36(27(24)19(4)28(37)38)29(39)25-7-6-15-35(25)31(41)33-22-11-8-20(9-12-22)18(2)3/h8-13,17-19,24-25,27H,5-7,14-16H2,1-4H3,(H,33,41)/t19-,24-,25-,27+/m0/s1
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7.40n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133989
PNG
((S)-2-((3aS,6S,6aR)-4-Cyclopropanecarbonyl-6-methy...)
Show SMILES CCCOc1ccc(cc1)-c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)C2CC2)cc1
Show InChI InChI=1S/C32H38N4O5/c1-3-19-41-25-14-10-22(11-15-25)21-8-12-24(13-9-21)33-32(40)34-17-4-5-27(34)31(39)35-18-16-26-28(35)20(2)29(37)36(26)30(38)23-6-7-23/h8-15,20,23,26-28H,3-7,16-19H2,1-2H3,(H,33,40)/t20-,26-,27-,28+/m0/s1
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9n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133981
PNG
((2S)-2-{[(3aS,6S,6aR)-4-(Cyclopropylcarbonyl)-6-me...)
Show SMILES CCCOc1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)C2CC2)cc1
Show InChI InChI=1S/C26H34N4O5/c1-3-15-35-19-10-8-18(9-11-19)27-26(34)28-13-4-5-21(28)25(33)29-14-12-20-22(29)16(2)23(31)30(20)24(32)17-6-7-17/h8-11,16-17,20-22H,3-7,12-15H2,1-2H3,(H,27,34)/t16-,20-,21-,22+/m0/s1
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9n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133952
PNG
((S)-2-((3aS,6S,6aR)-4-Benzothiazol-2-yl-6-methyl-5...)
Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3ccccc3s2)cc1
Show InChI InChI=1S/C29H33N5O3S/c1-17(2)19-10-12-20(13-11-19)30-28(37)32-15-6-8-23(32)27(36)33-16-14-22-25(33)18(3)26(35)34(22)29-31-21-7-4-5-9-24(21)38-29/h4-5,7,9-13,17-18,22-23,25H,6,8,14-16H2,1-3H3,(H,30,37)/t18-,22-,23-,25+/m0/s1
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133969
PNG
((S)-2-((3aS,6S,6aR)-4-Cyclopropanecarbonyl-6-methy...)
Show SMILES C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2C(=O)Nc2ccc(cc2)C(F)(F)F)N(C(=O)C2CC2)C1=O
Show InChI InChI=1S/C24H27F3N4O4/c1-13-19-17(31(20(13)32)21(33)14-4-5-14)10-12-30(19)22(34)18-3-2-11-29(18)23(35)28-16-8-6-15(7-9-16)24(25,26)27/h6-9,13-14,17-19H,2-5,10-12H2,1H3,(H,28,35)/t13-,17-,18-,19+/m0/s1
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15n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133957
PNG
((S)-2-[(3aS,6S,6aR)-6-Methyl-4-((2R,3S)-2-(S)-meth...)
Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)[C@H]2[C@@H](C)[C@H]2C)cc1
Show InChI InChI=1S/C28H38N4O4/c1-15(2)19-8-10-20(11-9-19)29-28(36)30-13-6-7-22(30)26(34)31-14-12-21-24(31)18(5)25(33)32(21)27(35)23-16(3)17(23)4/h8-11,15-18,21-24H,6-7,12-14H2,1-5H3,(H,29,36)/t16-,17+,18-,21-,22-,23-,24+/m0/s1
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133980
PNG
((2S)-2-{[(3aS,6S,6aR)-4-(Cyclopropylcarbonyl)-6-me...)
Show SMILES CC(C)Oc1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3C(=O)C2CC2)cc1
Show InChI InChI=1S/C26H34N4O5/c1-15(2)35-19-10-8-18(9-11-19)27-26(34)28-13-4-5-21(28)25(33)29-14-12-20-22(29)16(3)23(31)30(20)24(32)17-6-7-17/h8-11,15-17,20-22H,4-7,12-14H2,1-3H3,(H,27,34)/t16-,20-,21-,22+/m0/s1
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18n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50107904
PNG
((3S,3aR,6aS)-1-Cyclopropanecarbonyl-4-[(S)-1-(5-di...)
Show SMILES C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3c(cccc23)N(C)C)N(C(=O)C2CC2)C1=O
Show InChI InChI=1S/C28H34N4O5S/c1-17-25-22(32(26(17)33)27(34)18-12-13-18)14-16-30(25)28(35)23-10-6-15-31(23)38(36,37)24-11-5-7-19-20(24)8-4-9-21(19)29(2)3/h4-5,7-9,11,17-18,22-23,25H,6,10,12-16H2,1-3H3/t17-,22-,23-,25+/m0/s1
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133950
PNG
((S)-2-[(3aS,6S,6aR)-6-Methyl-5-oxo-4-(6-trifluorom...)
Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3ccc(OC(F)(F)F)cc3s2)cc1
Show InChI InChI=1S/C30H32F3N5O4S/c1-16(2)18-6-8-19(9-7-18)34-28(41)36-13-4-5-23(36)27(40)37-14-12-22-25(37)17(3)26(39)38(22)29-35-21-11-10-20(15-24(21)43-29)42-30(31,32)33/h6-11,15-17,22-23,25H,4-5,12-14H2,1-3H3,(H,34,41)/t17-,22-,23-,25+/m0/s1
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133953
PNG
((S)-2-((3aS,6S,6aR)-6-Methyl-5-oxo-4-thiazolo[5,4-...)
Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3cccnc3s2)cc1
Show InChI InChI=1S/C28H32N6O3S/c1-16(2)18-8-10-19(11-9-18)30-27(37)32-14-5-7-22(32)26(36)33-15-12-21-23(33)17(3)25(35)34(21)28-31-20-6-4-13-29-24(20)38-28/h4,6,8-11,13,16-17,21-23H,5,7,12,14-15H2,1-3H3,(H,30,37)/t17-,21-,22-,23+/m0/s1
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21n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133992
PNG
((3S,3aR,6aS)-4-[(S)-1-(Biphenyl-4-carbonyl)-pyrrol...)
Show SMILES C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2C(=O)c2ccc(cc2)-c2ccccc2)N(C(=O)C2CC2)C1=O
Show InChI InChI=1S/C29H31N3O4/c1-18-25-23(32(26(18)33)28(35)22-13-14-22)15-17-31(25)29(36)24-8-5-16-30(24)27(34)21-11-9-20(10-12-21)19-6-3-2-4-7-19/h2-4,6-7,9-12,18,22-25H,5,8,13-17H2,1H3/t18-,23-,24-,25+/m0/s1
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21n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133975
PNG
((S)-2-[(3aS,6S,6aR)-6-Methyl-4-(6-nitro-benzothiaz...)
Show SMILES CC(C)c1ccc(NC(=O)N2CCC[C@H]2C(=O)N2CC[C@H]3[C@H]2[C@H](C)C(=O)N3c2nc3ccc(cc3s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C29H32N6O5S/c1-16(2)18-6-8-19(9-7-18)30-28(38)32-13-4-5-23(32)27(37)33-14-12-22-25(33)17(3)26(36)34(22)29-31-21-11-10-20(35(39)40)15-24(21)41-29/h6-11,15-17,22-23,25H,4-5,12-14H2,1-3H3,(H,30,38)/t17-,22-,23-,25+/m0/s1
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133978
PNG
((3S,3aR,6aS)-1-Cyclopropanecarbonyl-3-methyl-4-[(S...)
Show SMILES CCCOc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1[C@H](C)C(=O)N2C(=O)C1CC1
Show InChI InChI=1S/C31H37N3O6S/c1-3-19-40-24-12-8-21(9-13-24)22-10-14-25(15-11-22)41(38,39)33-17-4-5-27(33)31(37)32-18-16-26-28(32)20(2)29(35)34(26)30(36)23-6-7-23/h8-15,20,23,26-28H,3-7,16-19H2,1-2H3/t20-,26-,27-,28+/m0/s1
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33n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133964
PNG
((3S,3aR,6aS)-1-Cyclopropanecarbonyl-3-methyl-4-[(S...)
Show SMILES CCCOc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1[C@H](C)C(=O)N2C(=O)C1CC1
Show InChI InChI=1S/C25H33N3O6S/c1-3-15-34-18-8-10-19(11-9-18)35(32,33)27-13-4-5-21(27)25(31)26-14-12-20-22(26)16(2)23(29)28(20)24(30)17-6-7-17/h8-11,16-17,20-22H,3-7,12-15H2,1-2H3/t16-,20-,21-,22+/m0/s1
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33n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133977
PNG
((2S)-2-{[(3aS,6S,6aR)-4-(Cyclopropylcarbonyl)-6-me...)
Show SMILES C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)N(C(=O)C2CC2)C1=O
Show InChI InChI=1S/C23H27ClN4O4/c1-13-19-17(28(20(13)29)21(30)14-4-5-14)10-12-27(19)22(31)18-3-2-11-26(18)23(32)25-16-8-6-15(24)7-9-16/h6-9,13-14,17-19H,2-5,10-12H2,1H3,(H,25,32)/t13-,17-,18-,19+/m0/s1
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38n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133979
PNG
((3S,3aR,6aS)-1-Cyclopropanecarbonyl-4-[(S)-1-(4-is...)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1[C@H](C)C(=O)N2C(=O)C1CC1
Show InChI InChI=1S/C25H33N3O6S/c1-15(2)34-18-8-10-19(11-9-18)35(32,33)27-13-4-5-21(27)25(31)26-14-12-20-22(26)16(3)23(29)28(20)24(30)17-6-7-17/h8-11,15-17,20-22H,4-7,12-14H2,1-3H3/t16-,20-,21-,22+/m0/s1
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39n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133988
PNG
((3S,3aR,6aS)-1-(Cyclopropylcarbonyl)-3-methyl-4-{[...)
Show SMILES C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)N(C(=O)C2CC2)C1=O
Show InChI InChI=1S/C26H29N3O5S/c1-16-23-21(29(24(16)30)25(31)18-8-9-18)12-14-27(23)26(32)22-7-4-13-28(22)35(33,34)20-11-10-17-5-2-3-6-19(17)15-20/h2-3,5-6,10-11,15-16,18,21-23H,4,7-9,12-14H2,1H3/t16-,21-,22-,23+/m0/s1
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133985
PNG
((S)-2-[(3aS,6S,6aR)-4-(6-Methoxy-benzothiazol-2-yl...)
Show SMILES COc1ccc2nc(sc2c1)N1[C@H]2CCN([C@@H]2[C@H](C)C1=O)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc(cc1)C(C)C
Show InChI InChI=1S/C30H35N5O4S/c1-17(2)19-7-9-20(10-8-19)31-29(38)33-14-5-6-24(33)28(37)34-15-13-23-26(34)18(3)27(36)35(23)30-32-22-12-11-21(39-4)16-25(22)40-30/h7-12,16-18,23-24,26H,5-6,13-15H2,1-4H3,(H,31,38)/t18-,23-,24-,26+/m0/s1
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43n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133949
PNG
((3S,3aR,6aS)-1-Cyclopropanecarbonyl-3-methyl-4-[(S...)
Show SMILES C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)N(C(=O)C2CC2)C1=O
Show InChI InChI=1S/C26H29N3O5S/c1-16-23-20(29(24(16)30)25(31)18-11-12-18)13-15-27(23)26(32)21-9-5-14-28(21)35(33,34)22-10-4-7-17-6-2-3-8-19(17)22/h2-4,6-8,10,16,18,20-21,23H,5,9,11-15H2,1H3/t16-,20-,21-,23+/m0/s1
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60n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133991
PNG
((3S,3aR,6aS)-1-Cyclopropanecarbonyl-3-methyl-4-[(S...)
Show SMILES CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1[C@H](C)C(=O)N2C(=O)C1CC1
Show InChI InChI=1S/C32H37N3O5/c1-3-19-40-25-14-12-22(13-15-25)21-6-8-23(9-7-21)30(37)33-17-4-5-27(33)32(39)34-18-16-26-28(34)20(2)29(36)35(26)31(38)24-10-11-24/h6-9,12-15,20,24,26-28H,3-5,10-11,16-19H2,1-2H3/t20-,26-,27-,28+/m0/s1
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50133954
PNG
((3S,3aR,6aS)-1-Cyclopropanecarbonyl-3-methyl-4-[(S...)
Show SMILES CCCOc1ccc(cc1)C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1[C@H](C)C(=O)N2C(=O)C1CC1
Show InChI InChI=1S/C26H33N3O5/c1-3-15-34-19-10-8-17(9-11-19)24(31)27-13-4-5-21(27)26(33)28-14-12-20-22(28)16(2)23(30)29(20)25(32)18-6-7-18/h8-11,16,18,20-22H,3-7,12-15H2,1-2H3/t16-,20-,21-,22+/m0/s1
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Potency against human cytomegalovirus protease in HCMV pNA assay


J Med Chem 46: 4428-49 (2003)


Article DOI: 10.1021/jm030810w
BindingDB Entry DOI: 10.7270/Q2WH2PD8
More data for this
Ligand-Target Pair
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