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Compile Data Set for Download or QSAR

Found 106 hits Enz. Inhib. hit(s) with all data for entry = 9818   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Stimulator of interferon genes protein


(Human)
BDBM490791
PNG
(9-((4S,6R,7S,11aR,13R,14R,14aR,15R)-13-(6-amino-9H...)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=S)O[C@H]3[C@@H](F)[C@@H](O[C@@H]3COP(S)(=S)O[C@@H]1[C@@H]2O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H24FN9O7P2S4/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)37-39(41,42)34-3-10-16(38-40(43,44)36-9)11(22)21(35-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,41,42)(H,43,44)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490773
PNG
(US10968242, Example 2 Peak 4)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H24FN9O9P2S2/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)39-41(34,43)36-3-10-16(40-42(35,44)38-9)11(22)21(37-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,43)(H,35,44)(H2,23,24,25)/t8-,9+,10-,11+,14+,15+,16-,21-,41?,42?/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490777
PNG
(US10968242, Example 3 Peak 4)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(S)(=O)O[C@@H]3[C@@H](O)[C@H](C[C@H]3n3cnc4c3nc[nH]c4=O)OP(S)(=O)O[C@H]2[C@@H]1F |r|
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0.200n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490790
PNG
(US10968242, Example 17 Peak 2)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=S)O[C@H]3[C@@H](F)[C@@H](O[C@@H]3COP(S)(=O)O[C@@H]1[C@H]2O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H24FN9O8P2S3/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)38-40(34,42)35-3-10-16(39-41(43,44)37-9)11(22)21(36-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,42)(H,43,44)(H2,23,24,25)/t8-,9+,10-,11-,14+,15+,16-,21-,40?/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490786
PNG
(US10968242, Example 15 Peak 2)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H24FN9O10P2S/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)41-43(36,44)37-3-10-16(40-42(34,35)39-9)11(22)21(38-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,35)(H,36,44)(H2,23,24,25)/t8-,9+,10-,11-,14+,15+,16-,21-,43?/m1/s1
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1n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490787
PNG
(US10968242, Example 16 Peak 1)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H24FN9O10P2S/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)40-42(34,35)37-3-10-16(41-43(36,44)39-9)11(22)21(38-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,35)(H,36,44)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-,43?/m1/s1
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1n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490776
PNG
(US10968242, Example 3 Peak 3)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(S)(=O)O[C@@H]3[C@H](O)[C@H](C[C@H]3n3cnc4c3nc[nH]c4=O)OP(S)(=O)O[C@H]2[C@@H]1F |r|
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1n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490794
PNG
(US10968242, Example 19 Peak 3)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12+,15-,16+,17-,22-,42?,43?/m1/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490772
PNG
(US10968242, Example 2 Peak 3)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H24FN9O9P2S2/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)39-41(34,43)36-3-10-16(40-42(35,44)38-9)11(22)21(37-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,43)(H,35,44)(H2,23,24,25)/t8-,9+,10-,11+,14-,15+,16-,21-,41?,42?/m1/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490789
PNG
(US10968242, Example 17 Peak 1)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=S)O[C@H]3[C@@H](F)[C@@H](O[C@@H]3COP(S)(=O)O[C@@H]1[C@@H]2O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H24FN9O8P2S3/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)38-40(34,42)35-3-10-16(39-41(43,44)37-9)11(22)21(36-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,42)(H,43,44)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-,40?/m1/s1
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490781
PNG
(US10968242, Example 7 Peak 4)
Show SMILES Cc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r|
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3n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490774
PNG
(US10968242, Example 3 Peak 1)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(S)(=O)O[C@@H]3[C@H](O)[C@H](C[C@H]3n3cnc4c3nc[nH]c4=O)OP(S)(=O)O[C@H]2[C@H]1F |r|
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4n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490770
PNG
(US10968242, Example 2 Peak 1)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H24FN9O9P2S2/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)39-41(34,43)36-3-10-16(40-42(35,44)38-9)11(22)21(37-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,43)(H,35,44)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-,41?,42?/m1/s1
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7n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490784
PNG
(9-[(4S,6R,7S,11aR,13R,14R,14aR,15R)-13-(6-amino-9H...)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H24FN9O11P2/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)41-43(34,35)38-3-10-16(42-44(36,37)40-9)11(22)21(39-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,35)(H,36,37)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-/m1/s1
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8n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490799
PNG
(US10968242, Example 21 Peak 2)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O11P2S/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)41-43(35,36)38-4-11-17(42-44(37,45)40-10)12(23)22(39-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,45)/t9-,10+,11-,12-,15+,16+,17-,22-,44?/m1/s1
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8n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490788
PNG
(US10968242, Example 16 Peak 2)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H24FN9O10P2S/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)40-42(34,35)37-3-10-16(41-43(36,44)39-9)11(22)21(38-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,35)(H,36,44)(H2,23,24,25)/t8-,9+,10-,11-,14+,15+,16-,21-,43?/m1/s1
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9n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490780
PNG
(US10968242, Example 7 Peak 3)
Show SMILES Cc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r|
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13n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490775
PNG
(US10968242, Example 3 Peak 2)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(S)(=O)O[C@@H]3[C@@H](O)[C@H](C[C@H]3n3cnc4c3nc[nH]c4=O)OP(S)(=O)O[C@H]2[C@H]1F |r|
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18n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490792
PNG
(US10968242, Example 19 Peak 1)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12-,15-,16+,17-,22-,42?,43?/m1/s1
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22n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490785
PNG
(US10968242, Example 15 Peak 1)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H24FN9O10P2S/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)41-43(36,44)37-3-10-16(40-42(34,35)39-9)11(22)21(38-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,35)(H,36,44)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-,43?/m1/s1
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37n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490797
PNG
(US10968242, Example 20 Peak 2)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O11P2S/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)42-44(37,45)38-4-11-17(41-43(35,36)40-10)12(23)22(39-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,45)/t9-,10+,11-,12-,15+,16+,17-,22-,44?/m1/s1
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38n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490769
PNG
(US10968242, Example 1 Peak 4)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H23FN10O8P2S2/c21-10-15-9(36-20(10)31-6-29-12-17(23)25-4-27-19(12)31)2-35-40(33,42)38-14-7(1-8(13(14)32)37-41(34,43)39-15)30-5-28-11-16(22)24-3-26-18(11)30/h3-10,13-15,20,32H,1-2H2,(H,33,42)(H,34,43)(H2,22,24,26)(H2,23,25,27)/t7-,8+,9-,10+,13+,14+,15-,20-,40?,41?/m1/s1
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42n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490778
PNG
(US10968242, Example 7 Peak 1 | US10968242, Example...)
Show SMILES Cc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r|
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44n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490795
PNG
(US10968242, Example 19 Peak 4)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12+,15+,16+,17-,22-,42?,43?/m1/s1
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54n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490771
PNG
(US10968242, Example 2 Peak 2)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H24FN9O9P2S2/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)39-41(34,43)36-3-10-16(40-42(35,44)38-9)11(22)21(37-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,34,43)(H,35,44)(H2,23,24,25)/t8-,9+,10-,11-,14+,15+,16-,21-,41?,42?/m1/s1
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73n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490767
PNG
(US10968242, Example 1 Peak 3)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@H]3F)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H23FN10O8P2S2/c21-10-15-9(36-20(10)31-6-29-12-17(23)25-4-27-19(12)31)2-35-40(33,42)38-14-7(1-8(13(14)32)37-41(34,43)39-15)30-5-28-11-16(22)24-3-26-18(11)30/h3-10,13-15,20,32H,1-2H2,(H,33,42)(H,34,43)(H2,22,24,26)(H2,23,25,27)/t7-,8+,9-,10+,13-,14+,15-,20-,40?,41?/m1/s1
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107n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490778
PNG
(US10968242, Example 7 Peak 1 | US10968242, Example...)
Show SMILES Cc1nc2n(cnc2c(=O)[nH]1)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r|
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107n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490798
PNG
(US10968242, Example 21 Peak 1)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O11P2S/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)41-43(35,36)38-4-11-17(42-44(37,45)40-10)12(23)22(39-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,45)/t9-,10+,11-,12-,15-,16+,17-,22-,44?/m1/s1
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142n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490800
PNG
(9,9′-((4S,6R,7S,11aR,13R,14R,14aR,15R)-14-fl...)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O12P2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)42-44(35,36)39-4-11-17(43-45(37,38)41-10)12(23)22(40-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,38)/t9-,10+,11-,12-,15-,16+,17-,22-/m1/s1
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222n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490796
PNG
(US10968242, Example 20 Peak 1)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O11P2S/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)42-44(37,45)38-4-11-17(41-43(35,36)40-10)12(23)22(39-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,45)/t9-,10+,11-,12-,15-,16+,17-,22-,44?/m1/s1
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294n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490783
PNG
(US10968242, Example 13 Peak 2)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](CSP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H23FN10O7P2S3/c21-10-15-9(35-20(10)31-6-29-12-17(23)25-4-27-19(12)31)2-43-40(34,42)38-14-7(1-8(13(14)32)36-39(33,41)37-15)30-5-28-11-16(22)24-3-26-18(11)30/h3-10,13-15,20,32H,1-2H2,(H,33,41)(H,34,42)(H2,22,24,26)(H2,23,25,27)/t7-,8+,9-,10-,13+,14+,15-,20-,39?,40?/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490793
PNG
(US10968242, Example 19 Peak 2)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12-,15+,16+,17-,22-,42?,43?/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490782
PNG
(US10968242, Example 13 Peak 1)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](CSP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H23FN10O7P2S3/c21-10-15-9(35-20(10)31-6-29-12-17(23)25-4-27-19(12)31)2-43-40(34,42)38-14-7(1-8(13(14)32)36-39(33,41)37-15)30-5-28-11-16(22)24-3-26-18(11)30/h3-10,13-15,20,32H,1-2H2,(H,33,41)(H,34,42)(H2,22,24,26)(H2,23,25,27)/t7-,8+,9-,10-,13-,14+,15-,20-,39?,40?/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490801
PNG
((4S,6R,7S,11aR,13R,14R,14aR,15R)-6,13-bis(6-amino-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H23FN10O10P2/c21-10-15-9(38-20(10)31-6-29-12-17(23)25-4-27-19(12)31)2-37-42(33,34)40-14-7(1-8(13(14)32)39-43(35,36)41-15)30-5-28-11-16(22)24-3-26-18(11)30/h3-10,13-15,20,32H,1-2H2,(H,33,34)(H,35,36)(H2,22,24,26)(H2,23,25,27)/t7-,8+,9-,10-,13-,14+,15-,20-/m1/s1
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1.26E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
A radioligand binding assay was developed to determine compound interactions were competitive with a tritium-labeled version of the native STING liga...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein [H232R]


(Homo sapiens (Human))
BDBM490791
PNG
(9-((4S,6R,7S,11aR,13R,14R,14aR,15R)-13-(6-amino-9H...)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=S)O[C@H]3[C@@H](F)[C@@H](O[C@@H]3COP(S)(=S)O[C@@H]1[C@@H]2O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H24FN9O7P2S4/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)37-39(41,42)34-3-10-16(38-40(43,44)36-9)11(22)21(35-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,41,42)(H,43,44)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-/m1/s1
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n/an/an/a 1n/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490791
PNG
(9-((4S,6R,7S,11aR,13R,14R,14aR,15R)-13-(6-amino-9H...)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=S)O[C@H]3[C@@H](F)[C@@H](O[C@@H]3COP(S)(=S)O[C@@H]1[C@@H]2O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H24FN9O7P2S4/c1-29-5-28-19-13(20(29)33)27-6-30(19)8-2-9-14(32)15(8)37-39(41,42)34-3-10-16(38-40(43,44)36-9)11(22)21(35-10)31-7-26-12-17(23)24-4-25-18(12)31/h4-11,14-16,21,32H,2-3H2,1H3,(H,41,42)(H,43,44)(H2,23,24,25)/t8-,9+,10-,11-,14-,15+,16-,21-/m1/s1
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n/an/an/a 0.200n/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein [H232R]


(Homo sapiens (Human))
BDBM490792
PNG
(US10968242, Example 19 Peak 1)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12-,15-,16+,17-,22-,42?,43?/m1/s1
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n/an/an/a 102n/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490792
PNG
(US10968242, Example 19 Peak 1)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12-,15-,16+,17-,22-,42?,43?/m1/s1
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n/an/an/a 86n/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein [H232R]


(Homo sapiens (Human))
BDBM490793
PNG
(US10968242, Example 19 Peak 2)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12-,15+,16+,17-,22-,42?,43?/m1/s1
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n/an/an/a 750n/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490793
PNG
(US10968242, Example 19 Peak 2)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12-,15+,16+,17-,22-,42?,43?/m1/s1
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n/an/an/a 740n/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein [H232R]


(Homo sapiens (Human))
BDBM490794
PNG
(US10968242, Example 19 Peak 3)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12+,15-,16+,17-,22-,42?,43?/m1/s1
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n/an/an/a 2n/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490794
PNG
(US10968242, Example 19 Peak 3)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12+,15-,16+,17-,22-,42?,43?/m1/s1
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n/an/an/a 3n/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein [H232R]


(Homo sapiens (Human))
BDBM490795
PNG
(US10968242, Example 19 Peak 4)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12+,15+,16+,17-,22-,42?,43?/m1/s1
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n/an/an/a 10n/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490795
PNG
(US10968242, Example 19 Peak 4)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O10P2S2/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)40-42(35,44)37-4-11-17(41-43(36,45)39-10)12(23)22(38-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,44)(H,36,45)/t9-,10+,11-,12+,15+,16+,17-,22-,42?,43?/m1/s1
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n/an/an/a 19n/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein [H232R]


(Homo sapiens (Human))
BDBM490796
PNG
(US10968242, Example 20 Peak 1)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O11P2S/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)42-44(37,45)38-4-11-17(41-43(35,36)40-10)12(23)22(39-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,45)/t9-,10+,11-,12-,15-,16+,17-,22-,44?/m1/s1
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n/an/an/a 447n/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490796
PNG
(US10968242, Example 20 Peak 1)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O11P2S/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)42-44(37,45)38-4-11-17(41-43(35,36)40-10)12(23)22(39-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,45)/t9-,10+,11-,12-,15-,16+,17-,22-,44?/m1/s1
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n/an/an/a 256n/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein [H232R]


(Homo sapiens (Human))
BDBM490797
PNG
(US10968242, Example 20 Peak 2)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O11P2S/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)42-44(37,45)38-4-11-17(41-43(35,36)40-10)12(23)22(39-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,45)/t9-,10+,11-,12-,15+,16+,17-,22-,44?/m1/s1
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n/an/an/a 29n/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490797
PNG
(US10968242, Example 20 Peak 2)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(O)(=O)O[C@@H]3[C@@H](COP(S)(=O)O[C@@H]1[C@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O11P2S/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)42-44(37,45)38-4-11-17(41-43(35,36)40-10)12(23)22(39-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,45)/t9-,10+,11-,12-,15+,16+,17-,22-,44?/m1/s1
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Pfizer Inc.

US Patent


Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein [H232R]


(Homo sapiens (Human))
BDBM490798
PNG
(US10968242, Example 21 Peak 1)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O11P2S/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)41-43(35,36)38-4-11-17(42-44(37,45)40-10)12(23)22(39-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,45)/t9-,10+,11-,12-,15-,16+,17-,22-,44?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 198n/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
Stimulator of interferon genes protein


(Human)
BDBM490798
PNG
(US10968242, Example 21 Peak 1)
Show SMILES Cn1cnc2n(cnc2c1=O)[C@@H]1C[C@@H]2OP(S)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3F)n1cnc2c1ncn(C)c2=O |r|
Show InChI InChI=1S/C22H25FN8O11P2S/c1-28-5-26-18-13(20(28)33)24-7-30(18)9-3-10-15(32)16(9)41-43(35,36)38-4-11-17(42-44(37,45)40-10)12(23)22(39-11)31-8-25-14-19(31)27-6-29(2)21(14)34/h5-12,15-17,22,32H,3-4H2,1-2H3,(H,35,36)(H,37,45)/t9-,10+,11-,12-,15-,16+,17-,22-,44?/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 127n/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
Surface plasmon resonance (SPR) STING agonist binding studies were carried out using a Biacore T200 instrument (GE Healthcare) at 4° C. in a 150 mM K...


US Patent US10968242 (2021)


BindingDB Entry DOI: 10.7270/Q27W6GB9
More data for this
Ligand-Target Pair
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