BindingDB logo
myBDB logout

Patent code WO2022081973

Compile Data Set for Download or QSAR
Found 137 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
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534201
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccccc1
Show InChI InChI=1S/C40H62N5O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-50-27-33(51-26-32-21-18-17-19-22-32)28-52-55(48,49)53-29-35-37(46)38(47)40(30-41,54-35)36-24-23-34-39(42)43-31-44-45(34)36/h17-19,21-24,31,33,35,37-38,46-47H,2-16,20,25-29H2,1H3,(H,48,49)(H2,42,43,44)/t33-,35-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 50n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534202
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N(C)Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C42H63FN7O8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-55-27-35(49(2)26-33-22-32(25-44)23-34(43)24-33)28-56-59(53,54)57-29-37-39(51)40(52)42(30-45,58-37)38-20-19-36-41(46)47-31-48-50(36)38/h19-20,22-24,31,35,37,39-40,51-52H,3-18,21,26-29H2,1-2H3,(H,53,54)(H2,46,47,48)/t35-,37-,39-,40-,42+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 570n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534204
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCO[C@H](C)[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)SCc1ccccc1
Show InChI InChI=1S/C41H64N5O8PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-51-32(2)36(56-29-33-22-19-18-20-23-33)28-53-55(49,50)52-27-35-38(47)39(48)41(30-42,54-35)37-25-24-34-40(43)44-31-45-46(34)37/h18-20,22-25,31-32,35-36,38-39,47-48H,3-17,21,26-29H2,1-2H3,(H,49,50)(H2,43,44,45)/t32-,35-,36+,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 160n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534205
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N1Cc2cc(Cl)c(Cl)cc2C1
Show InChI InChI=1S/C41H61Cl2N6O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-54-25-32(48-23-30-21-33(42)34(43)22-31(30)24-48)26-55-58(52,53)56-27-36-38(50)39(51)41(28-44,57-36)37-19-18-35-40(45)46-29-47-49(35)37/h18-19,21-22,29,32,36,38-39,50-51H,2-17,20,23-27H2,1H3,(H,52,53)(H2,45,46,47)/t32-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 490n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534218
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCO[C@H](COCc1ccccc1)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C40H62N5O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-51-33(27-50-26-32-21-18-17-19-22-32)28-52-55(48,49)53-29-35-37(46)38(47)40(30-41,54-35)36-24-23-34-39(42)43-31-44-45(34)36/h17-19,21-24,31,33,35,37-38,46-47H,2-16,20,25-29H2,1H3,(H,48,49)(H2,42,43,44)/t33-,35-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 150n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534222
PNG
(((2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCO[C@H](COCc1ccccc1)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C30H42N5O9P/c1-2-3-4-5-6-10-15-41-23(17-40-16-22-11-8-7-9-12-22)18-42-45(38,39)43-19-25-27(36)28(37)30(20-31,44-25)26-14-13-24-29(32)33-21-34-35(24)26/h7-9,11-14,21,23,25,27-28,36-37H,2-6,10,15-19H2,1H3,(H,38,39)(H2,32,33,34)/t23-,25-,27-,28-,30+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 5.00E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534231
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C39H56FN6O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-51-24-32(52-23-30-19-29(22-41)20-31(40)21-30)25-53-56(49,50)54-26-34-36(47)37(48)39(27-42,55-34)35-17-16-33-38(43)44-28-45-46(33)35/h16-17,19-21,28,32,34,36-37,47-48H,2-15,18,23-26H2,1H3,(H,49,50)(H2,43,44,45)/t32-,34-,36-,37-,39+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 95n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534232
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@@H](COCc1cc(F)cc(c1)C#N)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C40H58FN6O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-52-24-32(25-53-23-31-19-30(22-42)20-33(41)21-31)26-54-57(50,51)55-27-35-37(48)38(49)40(28-43,56-35)36-17-16-34-39(44)45-29-46-47(34)36/h16-17,19-21,29,32,35,37-38,48-49H,2-15,18,23-27H2,1H3,(H,50,51)(H2,44,45,46)/t32-,35+,37+,38+,40-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 190n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534244
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1ccc(C#N)c(OC)c1F
Show InChI InChI=1S/C41H60FN6O10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-54-25-31(57-33-21-19-30(24-43)38(53-2)36(33)42)26-55-59(51,52)56-27-34-37(49)39(50)41(28-44,58-34)35-22-20-32-40(45)46-29-47-48(32)35/h19-22,29,31,34,37,39,49-50H,3-18,23,25-27H2,1-2H3,(H,51,52)(H2,45,46,47)/t31-,34-,37-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 17n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534251
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(OC)c(C#N)c(OC)c1
Show InChI InChI=1S/C43H65N6O11P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-56-27-33(57-26-32-23-36(54-2)34(25-44)37(24-32)55-3)28-58-61(52,53)59-29-38-40(50)41(51)43(30-45,60-38)39-21-20-35-42(46)47-31-48-49(35)39/h20-21,23-24,31,33,38,40-41,50-51H,4-19,22,26-29H2,1-3H3,(H,52,53)(H2,46,47,48)/t33-,38-,40-,41-,43+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 24n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534216
PNG
(((2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCOCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C30H50N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-40-19-20-41-44(38,39)42-21-25-27(36)28(37)30(22-31,43-25)26-17-16-24-29(32)33-23-34-35(24)26/h16-17,23,25,27-28,36-37H,2-15,18-21H2,1H3,(H,38,39)(H2,32,33,34)/t25-,27-,28-,30+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 200n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534265
PNG
(O-(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]t...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C41H60FN6O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-53-26-34(54-25-32-21-31(24-43)22-33(42)23-32)27-55-58(51,52)56-28-36-38(49)39(50)41(29-44,57-36)37-19-18-35-40(45)46-30-47-48(35)37/h18-19,21-23,30,34,36,38-39,49-50H,2-17,20,25-28H2,1H3,(H,51,52)(H2,45,46,47)/t34-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 120n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534272
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCC#C[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccc(C#N)c(F)c1
Show InChI InChI=1S/C38H50FN6O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-30(50-23-28-17-18-29(22-40)31(39)21-28)24-51-54(48,49)52-25-33-35(46)36(47)38(26-41,53-33)34-20-19-32-37(42)43-27-44-45(32)34/h17-21,27,30,33,35-36,46-47H,2-14,23-25H2,1H3,(H,48,49)(H2,42,43,44)/t30-,33-,35-,36-,38+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 17n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534223
PNG
(((2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCOCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C25H40N5O8P/c1-2-3-4-5-6-7-8-9-10-13-35-14-15-36-39(33,34)37-16-20-22(31)23(32)25(17-26,38-20)21-12-11-19-24(27)28-18-29-30(19)21/h11-12,18,20,22-23,31-32H,2-10,13-16H2,1H3,(H,33,34)(H2,27,28,29)/t20-,22-,23-,25+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 1.00E+4n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534228
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C39H59FN5O11PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-52-24-31(53-23-29-20-30(40)22-32(21-29)58(2,50)51)25-54-57(48,49)55-26-34-36(46)37(47)39(27-41,56-34)35-18-17-33-38(42)43-28-44-45(33)35/h17-18,20-22,28,31,34,36-37,46-47H,3-16,19,23-26H2,1-2H3,(H,48,49)(H2,42,43,44)/t31-,34-,36-,37-,39+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 120n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534231
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C39H56FN6O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-51-24-32(52-23-30-19-29(22-41)20-31(40)21-30)25-53-56(49,50)54-26-34-36(47)37(48)39(27-42,55-34)35-17-16-33-38(43)44-28-45-46(33)35/h16-17,19-21,28,32,34,36-37,47-48H,2-15,18,23-26H2,1H3,(H,49,50)(H2,43,44,45)/t32-,34-,36-,37-,39+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 570n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534242
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COc1ccc(nn1)C#N)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C38H57N8O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-51-24-30(25-52-34-21-18-29(23-39)44-45-34)55-56(49,50)53-26-32-35(47)36(48)38(27-40,54-32)33-20-19-31-37(41)42-28-43-46(31)33/h18-21,28,30,32,35-36,47-48H,2-17,22,24-26H2,1H3,(H,49,50)(H2,41,42,43)/t30-,32-,35-,36-,38+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 120n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534253
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)NC(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C41H60N7O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-54-26-33(47-40(51)32-20-18-19-31(24-32)25-42)27-55-58(52,53)56-28-35-37(49)38(50)41(29-43,57-35)36-22-21-34-39(44)45-30-46-48(34)36/h18-22,24,30,33,35,37-38,49-50H,2-17,23,26-28H2,1H3,(H,47,51)(H,52,53)(H2,44,45,46)/t33-,35-,37-,38-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 4.90E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534258
PNG
(WO2022081973, Example 62 | WO2022081973, Example 6...)
Show SMILES CCCCCCCCCCCCCCCCCSCCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C32H54N5O7PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-46-22-17-20-42-45(40,41)43-23-27-29(38)30(39)32(24-33,44-27)28-19-18-26-31(34)35-25-36-37(26)28/h18-19,25,27,29-30,38-39H,2-17,20-23H2,1H3,(H,40,41)(H2,34,35,36)/t27-,29-,30-,32+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 9.80E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534269
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccccc1
Show InChI InChI=1S/C40H62N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-33(50-27-32-22-19-18-20-23-32)28-51-54(48,49)52-29-35-37(46)38(47)40(30-41,53-35)36-26-25-34-39(42)43-31-44-45(34)36/h18-20,22-23,25-26,31,33,35,37-38,46-47H,2-17,21,24,27-29H2,1H3,(H,48,49)(H2,42,43,44)/t33-,35-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 1.10E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534272
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCC#C[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccc(C#N)c(F)c1
Show InChI InChI=1S/C38H50FN6O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-30(50-23-28-17-18-29(22-40)31(39)21-28)24-51-54(48,49)52-25-33-35(46)36(47)38(26-41,53-33)34-20-19-32-37(42)43-27-44-45(32)34/h17-21,27,30,33,35-36,46-47H,2-14,23-25H2,1H3,(H,48,49)(H2,42,43,44)/t30-,33-,35-,36-,38+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 72n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534211
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C41H59N6O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-54-25-30(46-39(50)31-20-17-18-21-32(31)40(46)51)26-55-58(52,53)56-27-34-36(48)37(49)41(28-42,57-34)35-23-22-33-38(43)44-29-45-47(33)35/h17-18,20-23,29-30,34,36-37,48-49H,2-16,19,24-27H2,1H3,(H,52,53)(H2,43,44,45)/t30-,34-,36-,37-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 140n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534212
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Nc1cccc(c1)C#C
Show InChI InChI=1S/C41H61N6O8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-52-27-34(46-33-22-20-21-32(4-2)26-33)28-53-56(50,51)54-29-36-38(48)39(49)41(30-42,55-36)37-24-23-35-40(43)44-31-45-47(35)37/h2,20-24,26,31,34,36,38-39,46,48-49H,3,5-19,25,27-29H2,1H3,(H,50,51)(H2,43,44,45)/t34-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 100n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534225
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1c(cc(C)cc1C#N)C#N
Show InChI InChI=1S/C40H56N7O9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-52-24-32(55-37-30(22-41)20-29(2)21-31(37)23-42)25-53-57(50,51)54-26-34-36(48)38(49)40(27-43,56-34)35-18-17-33-39(44)45-28-46-47(33)35/h17-18,20-21,28,32,34,36,38,48-49H,3-16,19,24-26H2,1-2H3,(H,50,51)(H2,44,45,46)/t32-,34+,36+,38+,40-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 70n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534246
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)c(Cl)c(c1)C#N
Show InChI InChI=1S/C41H59ClFN6O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-54-25-32(55-24-30-21-31(23-44)37(42)33(43)22-30)26-56-59(52,53)57-27-35-38(50)39(51)41(28-45,58-35)36-19-18-34-40(46)47-29-48-49(34)36/h18-19,21-22,29,32,35,38-39,50-51H,2-17,20,24-27H2,1H3,(H,52,53)(H2,46,47,48)/t32-,35-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 24n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534256
PNG
(WO2022081973, Example 60 | [(2R,3S,4R,5R)-5-(4-ami...)
Show SMILES CCCCCCCCCCCCCCCCCOCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C31H52N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-41-20-21-42-45(39,40)43-22-26-28(37)29(38)31(23-32,44-26)27-18-17-25-30(33)34-24-35-36(25)27/h17-18,24,26,28-29,37-38H,2-16,19-22H2,1H3,(H,39,40)(H2,33,34,35)/t26-,28-,29-,31+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 240n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534266
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCC[C@H](COCc1ccc(cc1F)C#N)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C41H60FN6O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(27-53-26-32-21-20-31(25-43)24-34(32)42)56-57(51,52)54-28-36-38(49)39(50)41(29-44,55-36)37-23-22-35-40(45)46-30-47-48(35)37/h20-24,30,33,36,38-39,49-50H,2-19,26-28H2,1H3,(H,51,52)(H2,45,46,47)/t33-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 400n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534269
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccccc1
Show InChI InChI=1S/C40H62N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-33(50-27-32-22-19-18-20-23-32)28-51-54(48,49)52-29-35-37(46)38(47)40(30-41,53-35)36-26-25-34-39(42)43-31-44-45(34)36/h18-20,22-23,25-26,31,33,35,37-38,46-47H,2-17,21,24,27-29H2,1H3,(H,48,49)(H2,42,43,44)/t33-,35-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 190n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534271
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCC#C[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C38H50FN6O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-31(50-23-29-19-28(22-40)20-30(39)21-29)24-51-54(48,49)52-25-33-35(46)36(47)38(26-41,53-33)34-18-17-32-37(42)43-27-44-45(32)34/h17-21,27,31,33,35-36,46-47H,2-14,23-25H2,1H3,(H,48,49)(H2,42,43,44)/t31-,33-,35-,36-,38+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 24n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534205
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N1Cc2cc(Cl)c(Cl)cc2C1
Show InChI InChI=1S/C41H61Cl2N6O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-54-25-32(48-23-30-21-33(42)34(43)22-31(30)24-48)26-55-58(52,53)56-27-36-38(50)39(51)41(28-44,57-36)37-19-18-35-40(45)46-29-47-49(35)37/h18-19,21-22,29,32,36,38-39,50-51H,2-17,20,23-27H2,1H3,(H,52,53)(H2,45,46,47)/t32-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 9.00E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534208
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@@H](OCc1ccccc1)C(C)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C41H64N5O9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-51-28-35(52-27-33-22-19-18-20-23-33)32(2)55-56(49,50)53-29-36-38(47)39(48)41(30-42,54-36)37-25-24-34-40(43)44-31-45-46(34)37/h18-20,22-25,31-32,35-36,38-39,47-48H,3-17,21,26-29H2,1-2H3,(H,49,50)(H2,43,44,45)/t32?,35-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 8.40E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534215
PNG
(((2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCSCCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C31H52N5O7PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-45-21-16-19-41-44(39,40)42-22-26-28(37)29(38)31(23-32,43-26)27-18-17-25-30(33)34-24-35-36(25)27/h17-18,24,26,28-29,37-38H,2-16,19-22H2,1H3,(H,39,40)(H2,33,34,35)/t26-,28-,29-,31+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 3.40E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534267
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccc(cc1F)C#N
Show InChI InChI=1S/C40H58FN6O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32(52-25-31-20-19-30(24-42)23-33(31)41)26-53-56(50,51)54-27-35-37(48)38(49)40(28-43,55-35)36-22-21-34-39(44)45-29-46-47(34)36/h19-23,29,32,35,37-38,48-49H,2-18,25-27H2,1H3,(H,50,51)(H2,44,45,46)/t32-,35-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 180n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534199
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N(C)Cc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C41H63ClFN6O8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-54-26-32(48(2)25-31-19-20-34(43)33(42)24-31)27-55-58(52,53)56-28-36-38(50)39(51)41(29-44,57-36)37-22-21-35-40(45)46-30-47-49(35)37/h19-22,24,30,32,36,38-39,50-51H,3-18,23,25-28H2,1-2H3,(H,52,53)(H2,45,46,47)/t32-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 350n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534207
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N1Cc2ccccc2C1=O
Show InChI InChI=1S/C41H61N6O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-53-26-32(46-25-31-20-17-18-21-33(31)40(46)50)27-54-57(51,52)55-28-35-37(48)38(49)41(29-42,56-35)36-23-22-34-39(43)44-30-45-47(34)36/h17-18,20-23,30,32,35,37-38,48-49H,2-16,19,24-28H2,1H3,(H,51,52)(H2,43,44,45)/t32-,35-,37-,38-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 47n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534208
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@@H](OCc1ccccc1)C(C)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C41H64N5O9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-51-28-35(52-27-33-22-19-18-20-23-33)32(2)55-56(49,50)53-29-36-38(47)39(48)41(30-42,54-36)37-25-24-34-40(43)44-31-45-46(34)37/h18-20,22-25,31-32,35-36,38-39,47-48H,3-17,21,26-29H2,1-2H3,(H,49,50)(H2,43,44,45)/t32?,35-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 240n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534214
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@@H](COc1ccccc1)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C40H62N5O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-50-26-32(27-51-33-21-18-17-19-22-33)28-52-55(48,49)53-29-35-37(46)38(47)40(30-41,54-35)36-24-23-34-39(42)43-31-44-45(34)36/h17-19,21-24,31-32,35,37-38,46-47H,2-16,20,25-29H2,1H3,(H,48,49)(H2,42,43,44)/t32-,35+,37+,38+,40-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 69n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534229
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@@H](COCc1cc(F)cc(c1)S(C)(=O)=O)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C40H61FN5O11PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-53-24-31(25-54-23-30-20-32(41)22-33(21-30)59(2,51)52)26-55-58(49,50)56-27-35-37(47)38(48)40(28-42,57-35)36-18-17-34-39(43)44-29-45-46(34)36/h17-18,20-22,29,31,35,37-38,47-48H,3-16,19,23-27H2,1-2H3,(H,49,50)(H2,43,44,45)/t31-,35+,37+,38+,40-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 120n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534234
PNG
(2-(((2R)-1-(((((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C40H60N5O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-52-25-30(55-33-21-18-17-20-31(33)39(48)49)26-53-57(50,51)54-27-34-36(46)37(47)40(28-41,56-34)35-23-22-32-38(42)43-29-44-45(32)35/h17-18,20-23,29-30,34,36-37,46-47H,2-16,19,24-27H2,1H3,(H,48,49)(H,50,51)(H2,42,43,44)/t30-,34-,36-,37-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 160n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534235
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](Cc1cc(F)cc(c1)C#N)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C40H58FN6O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-52-26-33(24-30-21-31(25-42)23-32(41)22-30)55-56(50,51)53-27-35-37(48)38(49)40(28-43,54-35)36-19-18-34-39(44)45-29-46-47(34)36/h18-19,21-23,29,33,35,37-38,48-49H,2-17,20,24,26-27H2,1H3,(H,50,51)(H2,44,45,46)/t33-,35+,37+,38+,40-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 78n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534239
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cncc(c1)S(C)(=O)=O
Show InChI InChI=1S/C40H63N6O11PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-53-26-32(54-25-31-22-33(24-43-23-31)59(2,51)52)27-55-58(49,50)56-28-35-37(47)38(48)40(29-41,57-35)36-20-19-34-39(42)44-30-45-46(34)36/h19-20,22-24,30,32,35,37-38,47-48H,3-18,21,25-28H2,1-2H3,(H,49,50)(H2,42,44,45)/t32-,35-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 59n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534247
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)c(CCC)c(c1)C#N
Show InChI InChI=1S/C44H66FN6O9P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-56-28-35(57-27-33-24-34(26-46)36(20-4-2)37(45)25-33)29-58-61(54,55)59-30-39-41(52)42(53)44(31-47,60-39)40-22-21-38-43(48)49-32-50-51(38)40/h21-22,24-25,32,35,39,41-42,52-53H,3-20,23,27-30H2,1-2H3,(H,54,55)(H2,48,49,50)/t35-,39-,41-,42-,44+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 100n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534253
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)NC(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C41H60N7O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-54-26-33(47-40(51)32-20-18-19-31(24-32)25-42)27-55-58(52,53)56-28-35-37(49)38(50)41(29-43,57-35)36-22-21-34-39(44)45-30-46-48(34)36/h18-22,24,30,33,35,37-38,49-50H,2-17,23,26-28H2,1H3,(H,47,51)(H,52,53)(H2,44,45,46)/t33-,35-,37-,38-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 330n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534259
PNG
(WO2022081973, Example 63 | [(2R,3S,4R,5R)-5-(4-Ami...)
Show SMILES CCCCCCCCCCCCSCCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C27H44N5O7PS/c1-2-3-4-5-6-7-8-9-10-11-16-41-17-12-15-37-40(35,36)38-18-22-24(33)25(34)27(19-28,39-22)23-14-13-21-26(29)30-20-31-32(21)23/h13-14,20,22,24-25,33-34H,2-12,15-18H2,1H3,(H,35,36)(H2,29,30,31)/t22-,24-,25-,27+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 470n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534258
PNG
(WO2022081973, Example 62 | WO2022081973, Example 6...)
Show SMILES CCCCCCCCCCCCCCCCCSCCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C32H54N5O7PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-46-22-17-20-42-45(40,41)43-23-27-29(38)30(39)32(24-33,44-27)28-19-18-26-31(34)35-25-36-37(26)28/h18-19,25,27,29-30,38-39H,2-17,20-23H2,1H3,(H,40,41)(H2,34,35,36)/t27-,29-,30-,32+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 210n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534268
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccc(C#N)c(F)c1
Show InChI InChI=1S/C40H58FN6O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32(52-25-30-19-20-31(24-42)33(41)23-30)26-53-56(50,51)54-27-35-37(48)38(49)40(28-43,55-35)36-22-21-34-39(44)45-29-46-47(34)36/h19-23,29,32,35,37-38,48-49H,2-18,25-27H2,1H3,(H,50,51)(H2,44,45,46)/t32-,35-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 68n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534197
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N1Cc2ccccc2C1
Show InChI InChI=1S/C41H63N6O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-52-27-34(46-25-32-20-17-18-21-33(32)26-46)28-53-56(50,51)54-29-36-38(48)39(49)41(30-42,55-36)37-23-22-35-40(43)44-31-45-47(35)37/h17-18,20-23,31,34,36,38-39,48-49H,2-16,19,24-29H2,1H3,(H,50,51)(H2,43,44,45)/t34-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 3.20E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534201
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccccc1
Show InChI InChI=1S/C40H62N5O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-50-27-33(51-26-32-21-18-17-19-22-32)28-52-55(48,49)53-29-35-37(46)38(47)40(30-41,54-35)36-24-23-34-39(42)43-31-44-45(34)36/h17-19,21-24,31,33,35,37-38,46-47H,2-16,20,25-29H2,1H3,(H,48,49)(H2,42,43,44)/t33-,35-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 2.50E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534210
PNG
(2-(((2R)-1-(((((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OC(=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C41H60N5O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-54-25-30(57-40(51)32-21-18-17-20-31(32)39(49)50)26-55-59(52,53)56-27-34-36(47)37(48)41(28-42,58-34)35-23-22-33-38(43)44-29-45-46(33)35/h17-18,20-23,29-30,34,36-37,47-48H,2-16,19,24-27H2,1H3,(H,49,50)(H,52,53)(H2,43,44,45)/t30-,34-,36-,37-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 700n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534226
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)NC(=O)c1ccccc1
Show InChI InChI=1S/C38H57N6O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-50-24-30(43-37(47)29-19-16-15-17-20-29)25-51-54(48,49)52-26-32-34(45)35(46)38(27-39,53-32)33-22-21-31-36(40)41-28-42-44(31)33/h15-17,19-22,28,30,32,34-35,45-46H,2-14,18,23-26H2,1H3,(H,43,47)(H,48,49)(H2,40,41,42)/t30-,32+,34+,35+,38-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 8.30E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534230
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1cc(OC)c(C#N)c(OC)c1
Show InChI InChI=1S/C40H59N6O11P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-53-24-30(56-29-21-33(51-2)31(23-41)34(22-29)52-3)25-54-58(49,50)55-26-35-37(47)38(48)40(27-42,57-35)36-19-18-32-39(43)44-28-45-46(32)36/h18-19,21-22,28,30,35,37-38,47-48H,4-17,20,24-26H2,1-3H3,(H,49,50)(H2,43,44,45)/t30-,35-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 43n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534241
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)C(O)=O
Show InChI InChI=1S/C41H60FN6O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-36(49)45-23-32(56-24-29-20-30(40(52)53)22-31(42)21-29)25-57-60(54,55)58-26-34-37(50)38(51)41(27-43,59-34)35-19-18-33-39(44)46-28-47-48(33)35/h18-22,28,32,34,37-38,50-51H,2-17,23-26H2,1H3,(H,45,49)(H,52,53)(H,54,55)(H2,44,46,47)/t32-,34-,37-,38-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 140n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534255
PNG
(WO2022081973, Example 59 | [(2R,3S,4R,5R)-5-(4-Ami...)
Show SMILES CCCCCCCCCCCCCCOCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C28H46N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-38-17-18-39-42(36,37)40-19-23-25(34)26(35)28(20-29,41-23)24-15-14-22-27(30)31-21-32-33(22)24/h14-15,21,23,25-26,34-35H,2-13,16-19H2,1H3,(H,36,37)(H2,30,31,32)/t23-,25-,26-,28+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 1.00E+4n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534268
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccc(C#N)c(F)c1
Show InChI InChI=1S/C40H58FN6O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32(52-25-30-19-20-31(24-42)33(41)23-30)26-53-56(50,51)54-27-35-37(48)38(49)40(28-43,55-35)36-22-21-34-39(44)45-29-46-47(34)36/h19-23,29,32,35,37-38,48-49H,2-18,25-27H2,1H3,(H,50,51)(H2,44,45,46)/t32-,35-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 79n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534270
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCC#C[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccccc1
Show InChI InChI=1S/C37H52N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-30(47-24-29-19-16-15-17-20-29)25-48-51(45,46)49-26-32-34(43)35(44)37(27-38,50-32)33-23-22-31-36(39)40-28-41-42(31)33/h15-17,19-20,22-23,28,30,32,34-35,43-44H,2-14,24-26H2,1H3,(H,45,46)(H2,39,40,41)/t30-,32-,34-,35-,37+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 430n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534271
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCC#C[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C38H50FN6O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-31(50-23-29-19-28(22-40)20-30(39)21-29)24-51-54(48,49)52-25-33-35(46)36(47)38(26-41,53-33)34-18-17-32-37(42)43-27-44-45(32)34/h17-21,27,31,33,35-36,46-47H,2-14,23-25H2,1H3,(H,48,49)(H2,42,43,44)/t31-,33-,35-,36-,38+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 190n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534200
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N(C)C(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C41H61ClFN6O9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-55-25-31(48(2)40(52)30-19-20-33(43)32(42)24-30)26-56-59(53,54)57-27-35-37(50)38(51)41(28-44,58-35)36-22-21-34-39(45)46-29-47-49(34)36/h19-22,24,29,31,35,37-38,50-51H,3-18,23,25-27H2,1-2H3,(H,53,54)(H2,45,46,47)/t31-,35-,37-,38-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 540n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534203
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)SCc1ccccc1
Show InChI InChI=1S/C40H62N5O8PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-50-26-33(55-29-32-21-18-17-19-22-32)27-51-54(48,49)52-28-35-37(46)38(47)40(30-41,53-35)36-24-23-34-39(42)43-31-44-45(34)36/h17-19,21-24,31,33,35,37-38,46-47H,2-16,20,25-29H2,1H3,(H,48,49)(H2,42,43,44)/t33-,35-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 360n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534209
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@@H](OCc1ccccc1)[C@@H](C)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C41H64N5O9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-51-28-35(52-27-33-22-19-18-20-23-33)32(2)55-56(49,50)53-29-36-38(47)39(48)41(30-42,54-36)37-25-24-34-40(43)44-31-45-46(34)37/h18-20,22-25,31-32,35-36,38-39,47-48H,3-17,21,26-29H2,1-2H3,(H,49,50)(H2,43,44,45)/t32-,35-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 240n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534220
PNG
(((2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCO[C@H](COCc1ccccc1)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C36H54N5O9P/c1-2-3-4-5-6-7-8-9-10-11-12-16-21-47-29(23-46-22-28-17-14-13-15-18-28)24-48-51(44,45)49-25-31-33(42)34(43)36(26-37,50-31)32-20-19-30-35(38)39-27-40-41(30)32/h13-15,17-20,27,29,31,33-34,42-43H,2-12,16,21-25H2,1H3,(H,44,45)(H2,38,39,40)/t29-,31-,33-,34-,36+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 73n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534228
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)S(C)(=O)=O
Show InChI InChI=1S/C39H59FN5O11PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-52-24-31(53-23-29-20-30(40)22-32(21-29)58(2,50)51)25-54-57(48,49)55-26-34-36(46)37(47)39(27-41,56-34)35-18-17-33-38(42)43-28-44-45(33)35/h17-18,20-22,28,31,34,36-37,46-47H,3-16,19,23-26H2,1-2H3,(H,48,49)(H2,42,43,44)/t31-,34-,36-,37-,39+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 40n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534237
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COc1ccc(cn1)C#N)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C39H58N7O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-51-25-31(26-52-35-21-18-30(23-40)24-43-35)55-56(49,50)53-27-33-36(47)37(48)39(28-41,54-33)34-20-19-32-38(42)44-29-45-46(32)34/h18-21,24,29,31,33,36-37,47-48H,2-17,22,25-27H2,1H3,(H,49,50)(H2,42,44,45)/t31-,33-,36-,37-,39+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 63n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534240
PNG
(3-((((2R)-1-(((((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)C(O)=O
Show InChI InChI=1S/C41H61FN5O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-54-25-33(55-24-30-21-31(40(50)51)23-32(42)22-30)26-56-59(52,53)57-27-35-37(48)38(49)41(28-43,58-35)36-19-18-34-39(44)45-29-46-47(34)36/h18-19,21-23,29,33,35,37-38,48-49H,2-17,20,24-27H2,1H3,(H,50,51)(H,52,53)(H2,44,45,46)/t33-,35-,37-,38-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 120n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534243
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C41H59FN7O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-46-40(52)35(55-25-31-21-30(24-43)22-32(42)23-31)27-57-59(53,54)56-26-34-37(50)38(51)41(28-44,58-34)36-19-18-33-39(45)47-29-48-49(33)36/h18-19,21-23,29,34-35,37-38,50-51H,2-17,20,25-27H2,1H3,(H,46,52)(H,53,54)(H2,45,47,48)/t34-,35+,37-,38-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 32n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534249
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)c(C)c(c1)C#N
Show InChI InChI=1S/C42H62FN6O9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-54-26-34(55-25-32-22-33(24-44)31(2)35(43)23-32)27-56-59(52,53)57-28-37-39(50)40(51)42(29-45,58-37)38-20-19-36-41(46)47-30-48-49(36)38/h19-20,22-23,30,34,37,39-40,50-51H,3-18,21,25-28H2,1-2H3,(H,52,53)(H2,46,47,48)/t34-,37-,39-,40-,42+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 25n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534246
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)c(Cl)c(c1)C#N
Show InChI InChI=1S/C41H59ClFN6O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-54-25-32(55-24-30-21-31(23-44)37(42)33(43)22-30)26-56-59(52,53)57-27-35-38(50)39(51)41(28-45,58-35)36-19-18-34-40(46)47-29-48-49(34)36/h18-19,21-22,29,32,35,38-39,50-51H,2-17,20,24-27H2,1H3,(H,52,53)(H2,46,47,48)/t32-,35-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 64n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534214
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@@H](COc1ccccc1)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C40H62N5O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-50-26-32(27-51-33-21-18-17-19-22-33)28-52-55(48,49)53-29-35-37(46)38(47)40(30-41,54-35)36-24-23-34-39(42)43-31-44-45(34)36/h17-19,21-24,31-32,35,37-38,46-47H,2-16,20,25-29H2,1H3,(H,48,49)(H2,42,43,44)/t32-,35+,37+,38+,40-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 1.80E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534217
PNG
(((2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C32H54N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-42-21-22-43-46(40,41)44-23-27-29(38)30(39)32(24-33,45-27)28-19-18-26-31(34)35-25-36-37(26)28/h18-19,25,27,29-30,38-39H,2-17,20-23H2,1H3,(H,40,41)(H2,34,35,36)/t27-,29-,30-,32+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 9.10E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534227
PNG
(2-(((2R)-1-(((((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C38H57N6O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-51-23-28(43-30-19-16-15-18-29(30)37(47)48)24-52-55(49,50)53-25-32-34(45)35(46)38(26-39,54-32)33-21-20-31-36(40)41-27-42-44(31)33/h15-16,18-21,27-28,32,34-35,43,45-46H,2-14,17,22-25H2,1H3,(H,47,48)(H,49,50)(H2,40,41,42)/t28-,32-,34-,35-,38+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 6.30E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534260
PNG
(WO2022081973, Example 64 | [(2R,3S,4R,5R)-5-(4-Ami...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccc(F)c(Cl)c1F
Show InChI InChI=1S/C40H59ClF2N5O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-53-24-30(54-23-29-18-19-31(42)35(41)36(29)43)25-55-58(51,52)56-26-33-37(49)38(50)40(27-44,57-33)34-21-20-32-39(45)46-28-47-48(32)34/h18-21,28,30,33,37-38,49-50H,2-17,22-26H2,1H3,(H,51,52)(H2,45,46,47)/t30-,33-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 400n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534221
PNG
(((2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCO[C@H](COCc1ccccc1)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C31H44N5O9P/c1-2-3-4-5-6-7-11-16-42-24(18-41-17-23-12-9-8-10-13-23)19-43-46(39,40)44-20-26-28(37)29(38)31(21-32,45-26)27-15-14-25-30(33)34-22-35-36(25)27/h8-10,12-15,22,24,26,28-29,37-38H,2-7,11,16-20H2,1H3,(H,39,40)(H2,33,34,35)/t24-,26-,28-,29-,31+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 5.00E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534223
PNG
(((2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCOCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C25H40N5O8P/c1-2-3-4-5-6-7-8-9-10-13-35-14-15-36-39(33,34)37-16-20-22(31)23(32)25(17-26,38-20)21-12-11-19-24(27)28-18-29-30(19)21/h11-12,18,20,22-23,31-32H,2-10,13-16H2,1H3,(H,33,34)(H2,27,28,29)/t20-,22-,23-,25+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 5.00E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534242
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COc1ccc(nn1)C#N)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C38H57N8O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-51-24-30(25-52-34-21-18-29(23-39)44-45-34)55-56(49,50)53-26-32-35(47)36(48)38(27-40,54-32)33-20-19-31-37(41)42-28-43-46(31)33/h18-21,28,30,32,35-36,47-48H,2-17,22,24-26H2,1H3,(H,49,50)(H2,41,42,43)/t30-,32-,35-,36-,38+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 26n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534254
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)NC(=O)c1ccccc1C#N
Show InChI InChI=1S/C41H60N7O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-54-26-32(47-40(51)33-21-18-17-20-31(33)25-42)27-55-58(52,53)56-28-35-37(49)38(50)41(29-43,57-35)36-23-22-34-39(44)45-30-46-48(34)36/h17-18,20-23,30,32,35,37-38,49-50H,2-16,19,24,26-28H2,1H3,(H,47,51)(H,52,53)(H2,44,45,46)/t32-,35-,37-,38-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 300n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534258
PNG
(WO2022081973, Example 62 | WO2022081973, Example 6...)
Show SMILES CCCCCCCCCCCCCCCCCSCCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C32H54N5O7PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-46-22-17-20-42-45(40,41)43-23-27-29(38)30(39)32(24-33,44-27)28-19-18-26-31(34)35-25-36-37(26)28/h18-19,25,27,29-30,38-39H,2-17,20-23H2,1H3,(H,40,41)(H2,34,35,36)/t27-,29-,30-,32+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 230n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534270
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCC#C[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccccc1
Show InChI InChI=1S/C37H52N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-30(47-24-29-19-16-15-17-20-29)25-48-51(45,46)49-26-32-34(43)35(44)37(27-38,50-32)33-23-22-31-36(39)40-28-41-42(31)33/h15-17,19-20,22-23,28,30,32,34-35,43-44H,2-14,24-26H2,1H3,(H,45,46)(H2,39,40,41)/t30-,32-,34-,35-,37+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 58n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534207
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N1Cc2ccccc2C1=O
Show InChI InChI=1S/C41H61N6O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-53-26-32(46-25-31-20-17-18-21-33(31)40(46)50)27-54-57(51,52)55-28-35-37(48)38(49)41(29-42,56-35)36-23-22-34-39(43)44-30-45-47(34)36/h17-18,20-23,30,32,35,37-38,48-49H,2-16,19,24-28H2,1H3,(H,51,52)(H2,43,44,45)/t32-,35-,37-,38-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 3.80E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534212
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Nc1cccc(c1)C#C
Show InChI InChI=1S/C41H61N6O8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-52-27-34(46-33-22-20-21-32(4-2)26-33)28-53-56(50,51)54-29-36-38(48)39(49)41(30-42,55-36)37-24-23-35-40(43)44-31-45-47(35)37/h2,20-24,26,31,34,36,38-39,46,48-49H,3,5-19,25,27-29H2,1H3,(H,50,51)(H2,43,44,45)/t34-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 1.10E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534218
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCO[C@H](COCc1ccccc1)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C40H62N5O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-51-33(27-50-26-32-21-18-17-19-22-32)28-52-55(48,49)53-29-35-37(46)38(47)40(30-41,54-35)36-24-23-34-39(42)43-31-44-45(34)36/h17-19,21-24,31,33,35,37-38,46-47H,2-16,20,25-29H2,1H3,(H,48,49)(H2,42,43,44)/t33-,35-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 3.90E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534222
PNG
(((2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCO[C@H](COCc1ccccc1)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C30H42N5O9P/c1-2-3-4-5-6-10-15-41-23(17-40-16-22-11-8-7-9-12-22)18-42-45(38,39)43-19-25-27(36)28(37)30(20-31,44-25)26-14-13-24-29(32)33-21-34-35(24)26/h7-9,11-14,21,23,25,27-28,36-37H,2-6,10,15-19H2,1H3,(H,38,39)(H2,32,33,34)/t23-,25-,27-,28-,30+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 1.00E+4n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534235
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](Cc1cc(F)cc(c1)C#N)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C40H58FN6O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-52-26-33(24-30-21-31(25-42)23-32(41)22-30)55-56(50,51)53-27-35-37(48)38(49)40(28-43,54-35)36-19-18-34-39(44)45-29-46-47(34)36/h18-19,21-23,29,33,35,37-38,48-49H,2-17,20,24,26-27H2,1H3,(H,50,51)(H2,44,45,46)/t33-,35+,37+,38+,40-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 190n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534238
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Nc1cc(ccn1)C#N
Show InChI InChI=1S/C39H59N8O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-52-25-31(46-35-23-30(24-40)20-21-43-35)26-53-56(50,51)54-27-33-36(48)37(49)39(28-41,55-33)34-19-18-32-38(42)44-29-45-47(32)34/h18-21,23,29,31,33,36-37,48-49H,2-17,22,25-27H2,1H3,(H,43,46)(H,50,51)(H2,42,44,45)/t31-,33-,36-,37-,39+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 4.60E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534243
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C41H59FN7O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-46-40(52)35(55-25-31-21-30(24-43)22-32(42)23-31)27-57-59(53,54)56-26-34-37(50)38(51)41(28-44,58-34)36-19-18-33-39(45)47-29-48-49(33)36/h18-19,21-23,29,34-35,37-38,50-51H,2-17,20,25-27H2,1H3,(H,46,52)(H,53,54)(H2,45,47,48)/t34-,35+,37-,38-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 120n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534254
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)NC(=O)c1ccccc1C#N
Show InChI InChI=1S/C41H60N7O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-54-26-32(47-40(51)33-21-18-17-20-31(33)25-42)27-55-58(52,53)56-28-35-37(49)38(50)41(29-43,57-35)36-23-22-34-39(44)45-30-46-48(34)36/h17-18,20-23,30,32,35,37-38,49-50H,2-16,19,24,26-28H2,1H3,(H,47,51)(H,52,53)(H2,44,45,46)/t32-,35-,37-,38-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 5.10E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534256
PNG
(WO2022081973, Example 60 | [(2R,3S,4R,5R)-5-(4-ami...)
Show SMILES CCCCCCCCCCCCCCCCCOCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C31H52N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-41-20-21-42-45(39,40)43-22-26-28(37)29(38)31(23-32,44-26)27-18-17-25-30(33)34-24-35-36(25)27/h17-18,24,26,28-29,37-38H,2-16,19-22H2,1H3,(H,39,40)(H2,33,34,35)/t26-,28-,29-,31+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 2.00E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534197
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N1Cc2ccccc2C1
Show InChI InChI=1S/C41H63N6O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-52-27-34(46-25-32-20-17-18-21-33(32)26-46)28-53-56(50,51)54-29-36-38(48)39(49)41(30-42,55-36)37-23-22-35-40(43)44-31-45-47(35)37/h17-18,20-23,31,34,36,38-39,48-49H,2-16,19,24-29H2,1H3,(H,50,51)(H2,43,44,45)/t34-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 570n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534198
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N(C)Cc1ccccc1
Show InChI InChI=1S/C41H65N6O8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-52-28-34(46(2)27-33-22-19-18-20-23-33)29-53-56(50,51)54-30-36-38(48)39(49)41(31-42,55-36)37-25-24-35-40(43)44-32-45-47(35)37/h18-20,22-25,32,34,36,38-39,48-49H,3-17,21,26-30H2,1-2H3,(H,50,51)(H2,43,44,45)/t34-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 5.00E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534210
PNG
(2-(((2R)-1-(((((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OC(=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C41H60N5O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-54-25-30(57-40(51)32-21-18-17-20-31(32)39(49)50)26-55-59(52,53)56-27-34-36(47)37(48)41(28-42,58-34)35-23-22-33-38(43)44-29-45-46(33)35/h17-18,20-23,29-30,34,36-37,47-48H,2-16,19,24-27H2,1H3,(H,49,50)(H,52,53)(H2,43,44,45)/t30-,34-,36-,37-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 53n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534215
PNG
(((2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCSCCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C31H52N5O7PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-45-21-16-19-41-44(39,40)42-22-26-28(37)29(38)31(23-32,43-26)27-18-17-25-30(33)34-24-35-36(25)27/h17-18,24,26,28-29,37-38H,2-16,19-22H2,1H3,(H,39,40)(H2,33,34,35)/t26-,28-,29-,31+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 210n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534217
PNG
(((2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C32H54N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-42-21-22-43-46(40,41)44-23-27-29(38)30(39)32(24-33,45-27)28-19-18-26-31(34)35-25-36-37(26)28/h18-19,25,27,29-30,38-39H,2-17,20-23H2,1H3,(H,40,41)(H2,34,35,36)/t27-,29-,30-,32+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 250n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534226
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)NC(=O)c1ccccc1
Show InChI InChI=1S/C38H57N6O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-50-24-30(43-37(47)29-19-16-15-17-20-29)25-51-54(48,49)52-26-32-34(45)35(46)38(27-39,53-32)33-22-21-31-36(40)41-28-42-44(31)33/h15-17,19-22,28,30,32,34-35,45-46H,2-14,18,23-26H2,1H3,(H,43,47)(H,48,49)(H2,40,41,42)/t30-,32+,34+,35+,38-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 130n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534238
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Nc1cc(ccn1)C#N
Show InChI InChI=1S/C39H59N8O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-52-25-31(46-35-23-30(24-40)20-21-43-35)26-53-56(50,51)54-27-33-36(48)37(49)39(28-41,55-33)34-19-18-32-38(42)44-29-45-47(32)34/h18-21,23,29,31,33,36-37,48-49H,2-17,22,25-27H2,1H3,(H,43,46)(H,50,51)(H2,42,44,45)/t31-,33-,36-,37-,39+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 180n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534245
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1cc(C)c(cc1F)C#N
Show InChI InChI=1S/C41H60FN6O9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-53-25-32(56-35-22-30(2)31(24-43)23-33(35)42)26-54-58(51,52)55-27-36-38(49)39(50)41(28-44,57-36)37-20-19-34-40(45)46-29-47-48(34)37/h19-20,22-23,29,32,36,38-39,49-50H,3-18,21,25-27H2,1-2H3,(H,51,52)(H2,45,46,47)/t32-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 23n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534204
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCO[C@H](C)[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)SCc1ccccc1
Show InChI InChI=1S/C41H64N5O8PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-51-32(2)36(56-29-33-22-19-18-20-23-33)28-53-55(49,50)52-27-35-38(47)39(48)41(30-42,54-35)37-25-24-34-40(43)44-31-45-46(34)37/h18-20,22-25,31-32,35-36,38-39,47-48H,3-17,21,26-29H2,1-2H3,(H,49,50)(H2,43,44,45)/t32-,35-,36+,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 2.90E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534206
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N(Cc1ccc(F)c(Cl)c1)C(C)=O
Show InChI InChI=1S/C42H63ClFN6O9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-56-26-33(49(31(2)51)25-32-19-20-35(44)34(43)24-32)27-57-60(54,55)58-28-37-39(52)40(53)42(29-45,59-37)38-22-21-36-41(46)47-30-48-50(36)38/h19-22,24,30,33,37,39-40,52-53H,3-18,23,25-28H2,1-2H3,(H,54,55)(H2,46,47,48)/t33-,37-,39-,40-,42+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 3.60E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534209
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@@H](OCc1ccccc1)[C@@H](C)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C41H64N5O9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-51-28-35(52-27-33-22-19-18-20-23-33)32(2)55-56(49,50)53-29-36-38(47)39(48)41(30-42,54-36)37-25-24-34-40(43)44-31-45-46(34)37/h18-20,22-25,31-32,35-36,38-39,47-48H,3-17,21,26-29H2,1-2H3,(H,49,50)(H2,43,44,45)/t32-,35-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 9.50E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534220
PNG
(((2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCO[C@H](COCc1ccccc1)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C36H54N5O9P/c1-2-3-4-5-6-7-8-9-10-11-12-16-21-47-29(23-46-22-28-17-14-13-15-18-28)24-48-51(44,45)49-25-31-33(42)34(43)36(26-37,50-31)32-20-19-30-35(38)39-27-40-41(30)32/h13-15,17-20,27,29,31,33-34,42-43H,2-12,16,21-25H2,1H3,(H,44,45)(H2,38,39,40)/t29-,31-,33-,34-,36+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 9.90E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534232
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@@H](COCc1cc(F)cc(c1)C#N)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C40H58FN6O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-52-24-32(25-53-23-31-19-30(22-42)20-33(41)21-31)26-54-57(50,51)55-27-35-37(48)38(49)40(28-43,56-35)36-17-16-34-39(44)45-29-46-47(34)36/h16-17,19-21,29,32,35,37-38,48-49H,2-15,18,23-27H2,1H3,(H,50,51)(H2,44,45,46)/t32-,35+,37+,38+,40-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 1.20E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534201
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccccc1
Show InChI InChI=1S/C40H62N5O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-50-27-33(51-26-32-21-18-17-19-22-32)28-52-55(48,49)53-29-35-37(46)38(47)40(30-41,54-35)36-24-23-34-39(42)43-31-44-45(34)36/h17-19,21-24,31,33,35,37-38,46-47H,2-16,20,25-29H2,1H3,(H,48,49)(H2,42,43,44)/t33-,35-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 120n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534265
PNG
(O-(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]t...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C41H60FN6O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-53-26-34(54-25-32-21-31(24-43)22-33(42)23-32)27-55-58(51,52)56-28-36-38(49)39(50)41(29-44,57-36)37-19-18-35-40(45)46-30-47-48(35)37/h18-19,21-23,30,34,36,38-39,49-50H,2-17,20,25-28H2,1H3,(H,51,52)(H2,45,46,47)/t34-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 360n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534206
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N(Cc1ccc(F)c(Cl)c1)C(C)=O
Show InChI InChI=1S/C42H63ClFN6O9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-56-26-33(49(31(2)51)25-32-19-20-35(44)34(43)24-32)27-57-60(54,55)58-28-37-39(52)40(53)42(29-45,59-37)38-22-21-36-41(46)47-30-48-50(36)38/h19-22,24,30,33,37,39-40,52-53H,3-18,23,25-28H2,1-2H3,(H,54,55)(H2,46,47,48)/t33-,37-,39-,40-,42+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 55n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534213
PNG
((2R)-1-(((((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OC(=O)c1ccccc1
Show InChI InChI=1S/C40H60N5O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-51-26-32(54-39(48)31-21-18-17-19-22-31)27-52-56(49,50)53-28-34-36(46)37(47)40(29-41,55-34)35-24-23-33-38(42)43-30-44-45(33)35/h17-19,21-24,30,32,34,36-37,46-47H,2-16,20,25-28H2,1H3,(H,49,50)(H2,42,43,44)/t32-,34-,36-,37-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 120n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534216
PNG
(((2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCOCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C30H50N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-40-19-20-41-44(38,39)42-21-25-27(36)28(37)30(22-31,43-25)26-17-16-24-29(32)33-23-34-35(24)26/h16-17,23,25,27-28,36-37H,2-15,18-21H2,1H3,(H,38,39)(H2,32,33,34)/t25-,27-,28-,30+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 200n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534219
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCO[C@H](COCc1ccccc1)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C38H58N5O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-49-31(25-48-24-30-19-16-15-17-20-30)26-50-53(46,47)51-27-33-35(44)36(45)38(28-39,52-33)34-22-21-32-37(40)41-29-42-43(32)34/h15-17,19-22,29,31,33,35-36,44-45H,2-14,18,23-27H2,1H3,(H,46,47)(H2,40,41,42)/t31-,33-,35-,36-,38+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 83n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534224
PNG
(O-(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]t...)
Show SMILES CCCCCCCCCCCCCCCCO[C@@H](CO[P@](S)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccccc1
Show InChI InChI=1S/C37H56N5O8PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-46-33(47-24-29-19-16-15-17-20-29)26-49-51(45,52)48-25-31-34(43)35(44)37(27-38,50-31)32-22-21-30-36(39)40-28-41-42(30)32/h15-17,19-22,28,31,33-35,43-44H,2-14,18,23-26H2,1H3,(H,45,52)(H2,39,40,41)/t31-,33-,34-,35-,37+,51+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 190n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534233
PNG
(2-(((2R)-1-(((((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C40H61N6O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-53-25-30(45-32-21-18-17-20-31(32)39(49)50)26-54-57(51,52)55-27-34-36(47)37(48)40(28-41,56-34)35-23-22-33-38(42)43-29-44-46(33)35/h17-18,20-23,29-30,34,36-37,45,47-48H,2-16,19,24-27H2,1H3,(H,49,50)(H,51,52)(H2,42,43,44)/t30-,34-,36-,37-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 260n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534236
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](Cc1ccccc1)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C39H60N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-49-27-32(26-31-21-18-17-19-22-31)52-53(47,48)50-28-34-36(45)37(46)39(29-40,51-34)35-24-23-33-38(41)42-30-43-44(33)35/h17-19,21-24,30,32,34,36-37,45-46H,2-16,20,25-28H2,1H3,(H,47,48)(H2,41,42,43)/t32-,34+,36+,37+,39-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 380n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534248
PNG
(WO2022081973, Example 52)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1cc(OC)c(cc1F)C#N
Show InChI InChI=1S/C41H60FN6O10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-54-25-31(57-35-23-34(53-2)30(24-43)22-32(35)42)26-55-59(51,52)56-27-36-38(49)39(50)41(28-44,58-36)37-20-19-33-40(45)46-29-47-48(33)37/h19-20,22-23,29,31,36,38-39,49-50H,3-18,21,25-27H2,1-2H3,(H,51,52)(H2,45,46,47)/t31-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 17n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534257
PNG
(WO2022081973, Example 61 | [(2R,3S,4R,5R)-5-(4-ami...)
Show SMILES CCCCCCCCCCCCCCSCCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C29H48N5O7PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-43-19-14-17-39-42(37,38)40-20-24-26(35)27(36)29(21-30,41-24)25-16-15-23-28(31)32-22-33-34(23)25/h15-16,22,24,26-27,35-36H,2-14,17-20H2,1H3,(H,37,38)(H2,31,32,33)/t24-,26-,27-,29+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 200n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534200
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N(C)C(=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C41H61ClFN6O9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-55-25-31(48(2)40(52)30-19-20-33(43)32(42)24-30)26-56-59(53,54)57-27-35-37(50)38(51)41(28-44,58-35)36-22-21-34-39(45)46-29-47-49(34)36/h19-22,24,29,31,35,37-38,50-51H,3-18,23,25-27H2,1-2H3,(H,53,54)(H2,45,46,47)/t31-,35-,37-,38-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 9.40E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534202
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N(C)Cc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C42H63FN7O8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-55-27-35(49(2)26-33-22-32(25-44)23-34(43)24-33)28-56-59(53,54)57-29-37-39(51)40(52)42(30-45,58-37)38-20-19-36-41(46)47-31-48-50(36)38/h19-20,22-24,31,35,37,39-40,51-52H,3-18,21,26-29H2,1-2H3,(H,53,54)(H2,46,47,48)/t35-,37-,39-,40-,42+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 1.00E+4n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534219
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCO[C@H](COCc1ccccc1)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C38H58N5O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-49-31(25-48-24-30-19-16-15-17-20-30)26-50-53(46,47)51-27-33-35(44)36(45)38(28-39,52-33)34-22-21-32-37(40)41-29-42-43(32)34/h15-17,19-22,29,31,33,35-36,44-45H,2-14,18,23-27H2,1H3,(H,46,47)(H2,40,41,42)/t31-,33-,35-,36-,38+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 1.00E+4n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534257
PNG
(WO2022081973, Example 61 | [(2R,3S,4R,5R)-5-(4-ami...)
Show SMILES CCCCCCCCCCCCCCSCCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C29H48N5O7PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-43-19-14-17-39-42(37,38)40-20-24-26(35)27(36)29(21-30,41-24)25-16-15-23-28(31)32-22-33-34(23)25/h15-16,22,24,26-27,35-36H,2-14,17-20H2,1H3,(H,37,38)(H2,31,32,33)/t24-,26-,27-,29+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 6.10E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534258
PNG
(WO2022081973, Example 62 | WO2022081973, Example 6...)
Show SMILES CCCCCCCCCCCCCCCCCSCCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C32H54N5O7PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-46-22-17-20-42-45(40,41)43-23-27-29(38)30(39)32(24-33,44-27)28-19-18-26-31(34)35-25-36-37(26)28/h18-19,25,27,29-30,38-39H,2-17,20-23H2,1H3,(H,40,41)(H2,34,35,36)/t27-,29-,30-,32+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 3.40E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534227
PNG
(2-(((2R)-1-(((((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C38H57N6O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-51-23-28(43-30-19-16-15-18-29(30)37(47)48)24-52-55(49,50)53-25-32-34(45)35(46)38(26-39,54-32)33-21-20-31-36(40)41-27-42-44(31)33/h15-16,18-21,27-28,32,34-35,43,45-46H,2-14,17,22-25H2,1H3,(H,47,48)(H,49,50)(H2,40,41,42)/t28-,32-,34-,35-,38+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 260n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534230
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1cc(OC)c(C#N)c(OC)c1
Show InChI InChI=1S/C40H59N6O11P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-53-24-30(56-29-21-33(51-2)31(23-41)34(22-29)52-3)25-54-58(49,50)55-26-35-37(47)38(48)40(27-42,57-35)36-19-18-32-39(43)44-28-45-46(32)36/h18-19,21-22,28,30,35,37-38,47-48H,4-17,20,24-26H2,1-3H3,(H,49,50)(H2,43,44,45)/t30-,35-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 11n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534241
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCC(=O)NC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)C(O)=O
Show InChI InChI=1S/C41H60FN6O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-36(49)45-23-32(56-24-29-20-30(40(52)53)22-31(42)21-29)25-57-60(54,55)58-26-34-37(50)38(51)41(27-43,59-34)35-19-18-33-39(44)46-28-47-48(33)35/h18-22,28,32,34,37-38,50-51H,2-17,23-26H2,1H3,(H,45,49)(H,52,53)(H,54,55)(H2,44,46,47)/t32-,34-,37-,38-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 82n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534252
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCN(C)C(=O)[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)C#N
Show InChI InChI=1S/C42H61FN7O9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-49(2)41(53)36(56-26-32-22-31(25-44)23-33(43)24-32)28-58-60(54,55)57-27-35-38(51)39(52)42(29-45,59-35)37-20-19-34-40(46)47-30-48-50(34)37/h19-20,22-24,30,35-36,38-39,51-52H,3-18,21,26-28H2,1-2H3,(H,54,55)(H2,46,47,48)/t35-,36+,38-,39-,42+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 13n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534255
PNG
(WO2022081973, Example 59 | [(2R,3S,4R,5R)-5-(4-Ami...)
Show SMILES CCCCCCCCCCCCCCOCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C28H46N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-38-17-18-39-42(36,37)40-19-23-25(34)26(35)28(20-29,41-23)24-15-14-22-27(30)31-21-32-33(22)24/h14-15,21,23,25-26,34-35H,2-13,16-19H2,1H3,(H,36,37)(H2,30,31,32)/t23-,25-,26-,28+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 170n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534260
PNG
(WO2022081973, Example 64 | [(2R,3S,4R,5R)-5-(4-Ami...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccc(F)c(Cl)c1F
Show InChI InChI=1S/C40H59ClF2N5O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-53-24-30(54-23-29-18-19-31(42)35(41)36(29)43)25-55-58(51,52)56-26-33-37(49)38(50)40(27-44,57-33)34-21-20-32-39(45)46-28-47-48(32)34/h18-21,28,30,33,37-38,49-50H,2-17,22-26H2,1H3,(H,51,52)(H2,45,46,47)/t30-,33-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 86n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534201
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccccc1
Show InChI InChI=1S/C40H62N5O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-50-27-33(51-26-32-21-18-17-19-22-32)28-52-55(48,49)53-29-35-37(46)38(47)40(30-41,54-35)36-24-23-34-39(42)43-31-44-45(34)36/h17-19,21-24,31,33,35,37-38,46-47H,2-16,20,25-29H2,1H3,(H,48,49)(H2,42,43,44)/t33-,35-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 190n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Fusion glycoprotein F0


(Human respiratory syncytial virus A (strain A2))
BDBM534267
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccc(cc1F)C#N
Show InChI InChI=1S/C40H58FN6O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32(52-25-31-20-19-30(24-42)23-33(31)41)26-53-56(50,51)54-27-35-37(48)38(49)40(28-43,55-35)36-22-21-34-39(44)45-29-46-47(34)36/h19-23,29,32,35,37-38,48-49H,2-18,25-27H2,1H3,(H,50,51)(H2,44,45,46)/t32-,35-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 100n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534198
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N(C)Cc1ccccc1
Show InChI InChI=1S/C41H65N6O8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-52-28-34(46(2)27-33-22-19-18-20-23-33)29-53-56(50,51)54-30-36-38(48)39(49)41(31-42,55-36)37-25-24-35-40(43)44-32-45-47(35)37/h18-20,22-25,32,34,36,38-39,48-49H,3-17,21,26-30H2,1-2H3,(H,50,51)(H2,43,44,45)/t34-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 1.00E+4n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534199
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N(C)Cc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C41H63ClFN6O8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-54-26-32(48(2)25-31-19-20-34(43)33(42)24-31)27-55-58(52,53)56-28-36-38(50)39(51)41(29-44,57-36)37-22-21-35-40(45)46-30-47-49(35)37/h19-22,24,30,32,36,38-39,50-51H,3-18,23,25-28H2,1-2H3,(H,52,53)(H2,45,46,47)/t32-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 2.30E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534203
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)SCc1ccccc1
Show InChI InChI=1S/C40H62N5O8PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-50-26-33(55-29-32-21-18-17-19-22-32)27-51-54(48,49)52-28-35-37(46)38(47)40(30-41,53-35)36-24-23-34-39(42)43-31-44-45(34)36/h17-19,21-24,31,33,35,37-38,46-47H,2-16,20,25-29H2,1H3,(H,48,49)(H2,42,43,44)/t33-,35-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 1.00E+4n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534211
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C41H59N6O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-54-25-30(46-39(50)31-20-17-18-21-32(31)40(46)51)26-55-58(52,53)56-27-34-36(48)37(49)41(28-42,57-34)35-23-22-33-38(43)44-29-45-47(33)35/h17-18,20-23,29-30,34,36-37,48-49H,2-16,19,24-27H2,1H3,(H,52,53)(H2,43,44,45)/t30-,34-,36-,37-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 2.50E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534213
PNG
((2R)-1-(((((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OC(=O)c1ccccc1
Show InChI InChI=1S/C40H60N5O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-51-26-32(54-39(48)31-21-18-17-19-22-31)27-52-56(49,50)53-28-34-36(46)37(47)40(29-41,55-34)35-24-23-33-38(42)43-30-44-45(33)35/h17-19,21-24,30,32,34,36-37,46-47H,2-16,20,25-28H2,1H3,(H,49,50)(H2,42,43,44)/t32-,34-,36-,37-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 890n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534216
PNG
(((2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCOCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C30H50N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-40-19-20-41-44(38,39)42-21-25-27(36)28(37)30(22-31,43-25)26-17-16-24-29(32)33-23-34-35(24)26/h16-17,23,25,27-28,36-37H,2-15,18-21H2,1H3,(H,38,39)(H2,32,33,34)/t25-,27-,28-,30+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 3.80E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534221
PNG
(((2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCO[C@H](COCc1ccccc1)COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C31H44N5O9P/c1-2-3-4-5-6-7-11-16-42-24(18-41-17-23-12-9-8-10-13-23)19-43-46(39,40)44-20-26-28(37)29(38)31(21-32,45-26)27-15-14-25-30(33)34-22-35-36(25)27/h8-10,12-15,22,24,26,28-29,37-38H,2-7,11,16-20H2,1H3,(H,39,40)(H2,33,34,35)/t24-,26-,28-,29-,31+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 1.00E+4n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534224
PNG
(O-(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]t...)
Show SMILES CCCCCCCCCCCCCCCCO[C@@H](CO[P@](S)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1ccccc1
Show InChI InChI=1S/C37H56N5O8PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-46-33(47-24-29-19-16-15-17-20-29)26-49-51(45,52)48-25-31-34(43)35(44)37(27-38,50-31)32-22-21-30-36(39)40-28-41-42(30)32/h15-17,19-22,28,31,33-35,43-44H,2-14,18,23-26H2,1H3,(H,45,52)(H2,39,40,41)/t31-,33-,34-,35-,37+,51+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 3.80E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534225
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCOC[C@@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1c(cc(C)cc1C#N)C#N
Show InChI InChI=1S/C40H56N7O9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-52-24-32(55-37-30(22-41)20-29(2)21-31(37)23-42)25-53-57(50,51)54-26-34-36(48)38(49)40(27-43,56-34)35-18-17-33-39(44)45-28-46-47(33)35/h17-18,20-21,28,32,34,36,38,48-49H,3-16,19,24-26H2,1-2H3,(H,50,51)(H2,44,45,46)/t32-,34+,36+,38+,40-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 2.70E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534233
PNG
(2-(((2R)-1-(((((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C40H61N6O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-53-25-30(45-32-21-18-17-20-31(32)39(49)50)26-54-57(51,52)55-27-34-36(47)37(48)40(28-41,56-34)35-23-22-33-38(42)43-29-44-46(33)35/h17-18,20-23,29-30,34,36-37,45,47-48H,2-16,19,24-27H2,1H3,(H,49,50)(H,51,52)(H2,42,43,44)/t30-,34-,36-,37-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 6.30E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534237
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COc1ccc(cn1)C#N)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C39H58N7O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-51-25-31(26-52-35-21-18-30(23-40)24-43-35)55-56(49,50)53-27-33-36(47)37(48)39(28-41,54-33)34-20-19-32-38(42)44-29-45-46(32)34/h18-21,24,29,31,33,36-37,47-48H,2-17,22,25-27H2,1H3,(H,49,50)(H2,42,44,45)/t31-,33-,36-,37-,39+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 130n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534239
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cncc(c1)S(C)(=O)=O
Show InChI InChI=1S/C40H63N6O11PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-53-26-32(54-25-31-22-33(24-43-23-31)59(2,51)52)27-55-58(49,50)56-28-35-37(47)38(48)40(29-41,57-35)36-20-19-34-39(42)44-30-45-46(34)36/h19-20,22-24,30,32,35,37-38,47-48H,3-18,21,25-28H2,1-2H3,(H,49,50)(H2,42,44,45)/t32-,35-,37-,38-,40+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 79n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534259
PNG
(WO2022081973, Example 63 | [(2R,3S,4R,5R)-5-(4-Ami...)
Show SMILES CCCCCCCCCCCCSCCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C27H44N5O7PS/c1-2-3-4-5-6-7-8-9-10-11-16-41-17-12-15-37-40(35,36)38-18-22-24(33)25(34)27(19-28,39-22)23-14-13-21-26(29)30-20-31-32(21)23/h13-14,20,22,24-25,33-34H,2-12,15-18H2,1H3,(H,35,36)(H2,29,30,31)/t22-,24-,25-,27+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 1.00E+4n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534216
PNG
(((2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCOCCOP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C30H50N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-40-19-20-41-44(38,39)42-21-25-27(36)28(37)30(22-31,43-25)26-17-16-24-29(32)33-23-34-35(24)26/h16-17,23,25,27-28,36-37H,2-15,18-21H2,1H3,(H,38,39)(H2,32,33,34)/t25-,27-,28-,30+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 3.80E+3n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM534266
PNG
(((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]tria...)
Show SMILES CCCCCCCCCCCCCCCCCCC[C@H](COCc1ccc(cc1F)C#N)OP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12
Show InChI InChI=1S/C41H60FN6O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-33(27-53-26-32-21-20-31(25-43)24-34(32)42)56-57(51,52)54-28-36-38(49)39(50)41(29-44,55-36)37-23-22-35-40(45)46-30-47-48(35)37/h20-24,30,33,36,38-39,49-50H,2-19,26-28H2,1H3,(H,51,52)(H2,45,46,47)/t33-,36-,38-,39-,41+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
UniChem
WIPO WO2022081973
n/an/an/an/a 1.00E+4n/an/an/an/a



GILEAD SCIENCES, INC.

WIPO


Assay Description
Antiviral activity of compounds against SARS-CoV-2 is evaluated as described in Xue, Xi et al.2020. Briefly, the human alveolar epithelial cell line ...


WIPO WO2022081973 (2022)

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