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Compile Data Set for Download or QSAR

Found 309 hits Enz. Inhib. hit(s) with Target = 'Ubiquitin-like modifier-activating enzyme ATG7' AND taxid = 9606   
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
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM475984
PNG
(US10865208, Compound I-42 | {(2R,3S,4R,5R)-5-[4-am...)
Show SMILES CSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C11H16N6O6S2/c1-24-10-5-8(12)14-3-15-9(5)17(16-10)11-7(19)6(18)4(23-11)2-22-25(13,20)21/h3-4,6-7,11,18-19H,2H2,1H3,(H2,12,14,15)(H2,13,20,21)/t4-,6-,7-,11-/m1/s1
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TBA

Assay Description
Inhibition of recombinant His-tagged human ATG7 incubated for 105 mins in presence of GST-tagged ATG3 and Flag-tagged Gabarap and measured after 2 hr...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115681
BindingDB Entry DOI: 10.7270/Q2M90DBR
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM475978
PNG
(US10865208, Compound I-36 | {(2R,3S,4R,5R)-5-[4-am...)
Show SMILES Nc1ncnc2n(nc(Sc3cn[nH]c3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r|
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TBA

Assay Description
Inhibition of recombinant His-tagged human ATG7 incubated for 105 mins in presence of GST-tagged ATG3 and Flag-tagged Gabarap and measured after 2 hr...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115681
BindingDB Entry DOI: 10.7270/Q2M90DBR
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476001
PNG
(US10865208, Compound I-58 | {(2R,3S,4R,5R)-5-[4-am...)
Show SMILES CC(C)Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C13H20N6O6S2/c1-5(2)26-12-7-10(14)16-4-17-11(7)19(18-12)13-9(21)8(20)6(25-13)3-24-27(15,22)23/h4-6,8-9,13,20-21H,3H2,1-2H3,(H2,14,16,17)(H2,15,22,23)/t6-,8-,9-,13-/m1/s1
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TBA

Assay Description
Inhibition of recombinant His-tagged human ATG7 incubated for 105 mins in presence of GST-tagged ATG3 and Flag-tagged Gabarap and measured after 2 hr...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115681
BindingDB Entry DOI: 10.7270/Q2M90DBR
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476012
PNG
(US10865208, Compound I-69 | [(2R,3S,4R,5R)-5-{4-am...)
Show SMILES Cc1cccc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)c1 |r|
Show InChI InChI=1S/C17H20N6O6S2/c1-8-3-2-4-9(5-8)30-16-11-14(18)20-7-21-15(11)23(22-16)17-13(25)12(24)10(29-17)6-28-31(19,26)27/h2-5,7,10,12-13,17,24-25H,6H2,1H3,(H2,18,20,21)(H2,19,26,27)/t10-,12-,13-,17-/m1/s1
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TBA

Assay Description
Inhibition of recombinant His-tagged human ATG7 incubated for 105 mins in presence of GST-tagged ATG3 and Flag-tagged Gabarap and measured after 2 hr...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115681
BindingDB Entry DOI: 10.7270/Q2M90DBR
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476061
PNG
(US10865208, Compound I-118 | {(2R,3R,4S,5R)-5-[4-a...)
Show SMILES CC(C)(C)Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C14H21FN6O5S2/c1-14(2,3)27-12-7-10(16)18-5-19-11(7)21(20-12)13-8(15)9(22)6(26-13)4-25-28(17,23)24/h5-6,8-9,13,22H,4H2,1-3H3,(H2,16,18,19)(H2,17,23,24)/t6-,8+,9-,13-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476022
PNG
(US10865208, Compound I-79 | [(2R,3S,4R,5R)-5-(4-am...)
Show SMILES Nc1ncnc2n(nc(I)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H13IN6O6S/c11-7-4-8(12)14-2-15-9(4)17(16-7)10-6(19)5(18)3(23-10)1-22-24(13,20)21/h2-3,5-6,10,18-19H,1H2,(H2,12,14,15)(H2,13,20,21)/t3-,5-,6-,10-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476012
PNG
(US10865208, Compound I-69 | [(2R,3S,4R,5R)-5-{4-am...)
Show SMILES Cc1cccc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)c1 |r|
Show InChI InChI=1S/C17H20N6O6S2/c1-8-3-2-4-9(5-8)30-16-11-14(18)20-7-21-15(11)23(22-16)17-13(25)12(24)10(29-17)6-28-31(19,26)27/h2-5,7,10,12-13,17,24-25H,6H2,1H3,(H2,18,20,21)(H2,19,26,27)/t10-,12-,13-,17-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476008
PNG
(US10865208, Compound I-65 | {(2R,3S,4R,5R)-5-[4-am...)
Show SMILES Nc1ncnc2n(nc(SC3CC3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C13H18N6O6S2/c14-10-7-11(17-4-16-10)19(18-12(7)26-5-1-2-5)13-9(21)8(20)6(25-13)3-24-27(15,22)23/h4-6,8-9,13,20-21H,1-3H2,(H2,14,16,17)(H2,15,22,23)/t6-,8-,9-,13-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476005
PNG
(US10865208, Compound I-62 | {(2R,3S,4R,5R)-5-[4-am...)
Show SMILES Nc1ncnc2n(nc(SC3CCCC3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H22N6O6S2/c16-12-9-13(19-6-18-12)21(20-14(9)28-7-3-1-2-4-7)15-11(23)10(22)8(27-15)5-26-29(17,24)25/h6-8,10-11,15,22-23H,1-5H2,(H2,16,18,19)(H2,17,24,25)/t8-,10-,11-,15-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476001
PNG
(US10865208, Compound I-58 | {(2R,3S,4R,5R)-5-[4-am...)
Show SMILES CC(C)Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C13H20N6O6S2/c1-5(2)26-12-7-10(14)16-4-17-11(7)19(18-12)13-9(21)8(20)6(25-13)3-24-27(15,22)23/h4-6,8-9,13,20-21H,3H2,1-2H3,(H2,14,16,17)(H2,15,22,23)/t6-,8-,9-,13-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476084
PNG
(US10865208, Compound I-139 | {(2R,3R,4S,5R)-5-[4-a...)
Show SMILES CC(C)Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C13H19FN6O5S2/c1-5(2)26-12-7-10(15)17-4-18-11(7)20(19-12)13-8(14)9(21)6(25-13)3-24-27(16,22)23/h4-6,8-9,13,21H,3H2,1-2H3,(H2,15,17,18)(H2,16,22,23)/t6-,8+,9-,13-/m1/s1
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TBA

Assay Description
Inhibition of recombinant His-tagged human ATG7 incubated for 105 mins in presence of GST-tagged ATG3 and Flag-tagged Gabarap and measured after 2 hr...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115681
BindingDB Entry DOI: 10.7270/Q2M90DBR
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476046
PNG
(US10865208, Compound I-103 | {(2R,3R,4S,5R)-5-[4-a...)
Show SMILES Nc1ncnc2n(nc(SC3CCCC3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C15H21FN6O5S2/c16-10-11(23)8(5-26-29(18,24)25)27-15(10)22-13-9(12(17)19-6-20-13)14(21-22)28-7-3-1-2-4-7/h6-8,10-11,15,23H,1-5H2,(H2,17,19,20)(H2,18,24,25)/t8-,10+,11-,15-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476056
PNG
(US10865208, Compound I-113 | {(2R,3R,4S,5R)-5-[4-a...)
Show SMILES Nc1ncnc2n(nc(Sc3ccccn3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C15H16FN7O5S2/c16-10-11(24)7(5-27-30(18,25)26)28-15(10)23-13-9(12(17)20-6-21-13)14(22-23)29-8-3-1-2-4-19-8/h1-4,6-7,10-11,15,24H,5H2,(H2,17,20,21)(H2,18,25,26)/t7-,10+,11-,15-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476057
PNG
(US10865208, Compound I-114 | [(2R,3R,4S,5R)-5-{4-a...)
Show SMILES Cc1ccnc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)c1 |r|
Show InChI InChI=1S/C16H18FN7O5S2/c1-7-2-3-20-9(4-7)30-15-10-13(18)21-6-22-14(10)24(23-15)16-11(17)12(25)8(29-16)5-28-31(19,26)27/h2-4,6,8,11-12,16,25H,5H2,1H3,(H2,18,21,22)(H2,19,26,27)/t8-,11+,12-,16-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476032
PNG
(US10865208, Compound I-89 | [(2R,3S,4R,5R)-5-{4-am...)
Show SMILES Cc1ccc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)cc1 |r|
Show InChI InChI=1S/C17H20N6O6S2/c1-8-2-4-9(5-3-8)30-16-11-14(18)20-7-21-15(11)23(22-16)17-13(25)12(24)10(29-17)6-28-31(19,26)27/h2-5,7,10,12-13,17,24-25H,6H2,1H3,(H2,18,20,21)(H2,19,26,27)/t10-,12-,13-,17-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476092
PNG
(US10865208, Compound I-147 | {(2R,3R,4S,5R)-5-[4-a...)
Show SMILES Nc1ncnc2n(nc(SC3CCC3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C14H19FN6O5S2/c15-9-10(22)7(4-25-28(17,23)24)26-14(9)21-12-8(11(16)18-5-19-12)13(20-21)27-6-2-1-3-6/h5-7,9-10,14,22H,1-4H2,(H2,16,18,19)(H2,17,23,24)/t7-,9+,10-,14-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476093
PNG
(US10865208, Compound I-148 | [(2R,3R,4S,5R)-5-{4-a...)
Show SMILES Nc1ncnc2n(nc(SCC3CCC3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C15H21FN6O5S2/c16-10-11(23)8(4-26-29(18,24)25)27-15(10)22-13-9(12(17)19-6-20-13)14(21-22)28-5-7-2-1-3-7/h6-8,10-11,15,23H,1-5H2,(H2,17,19,20)(H2,18,24,25)/t8-,10+,11-,15-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476097
PNG
(US10865208, Compound I-152 | [(2R,3R,4S,5R)-5-{4-a...)
Show SMILES Cc1ccc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)nc1 |r|
Show InChI InChI=1S/C16H18FN7O5S2/c1-7-2-3-9(20-4-7)30-15-10-13(18)21-6-22-14(10)24(23-15)16-11(17)12(25)8(29-16)5-28-31(19,26)27/h2-4,6,8,11-12,16,25H,5H2,1H3,(H2,18,21,22)(H2,19,26,27)/t8-,11+,12-,16-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM475978
PNG
(US10865208, Compound I-36 | {(2R,3S,4R,5R)-5-[4-am...)
Show SMILES Nc1ncnc2n(nc(Sc3cn[nH]c3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r|
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM475982
PNG
(US10865208, Compound I-40 | [(2R,3S,4R,5R)-5-{4-am...)
Show SMILES Nc1ncnc2n(nc(Sc3cccc(Cl)c3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H17ClN6O6S2/c17-7-2-1-3-8(4-7)30-15-10-13(18)20-6-21-14(10)23(22-15)16-12(25)11(24)9(29-16)5-28-31(19,26)27/h1-4,6,9,11-12,16,24-25H,5H2,(H2,18,20,21)(H2,19,26,27)/t9-,11-,12-,16-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM475984
PNG
(US10865208, Compound I-42 | {(2R,3S,4R,5R)-5-[4-am...)
Show SMILES CSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C11H16N6O6S2/c1-24-10-5-8(12)14-3-15-9(5)17(16-10)11-7(19)6(18)4(23-11)2-22-25(13,20)21/h3-4,6-7,11,18-19H,2H2,1H3,(H2,12,14,15)(H2,13,20,21)/t4-,6-,7-,11-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM475988
PNG
(US10865208, Compound I-46 | [(2R,3S,4R,5R)-5-{4-am...)
Show SMILES Nc1ncnc2n(nc(SCCO)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H18N6O7S2/c13-9-6-10(16-4-15-9)18(17-11(6)26-2-1-19)12-8(21)7(20)5(25-12)3-24-27(14,22)23/h4-5,7-8,12,19-21H,1-3H2,(H2,13,15,16)(H2,14,22,23)/t5-,7-,8-,12-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM475992
PNG
(US10865208, Compound I-50 | [(2R,3S,4R,5R)-5-{4-am...)
Show SMILES Nc1ncnc2n(nc(SCC3CC3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H20N6O6S2/c15-11-8-12(18-5-17-11)20(19-13(8)27-4-6-1-2-6)14-10(22)9(21)7(26-14)3-25-28(16,23)24/h5-7,9-10,14,21-22H,1-4H2,(H2,15,17,18)(H2,16,23,24)/t7-,9-,10-,14-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM475999
PNG
(US10865208, Compound I-56 | {(2R,3S,4R,5R)-5-[4-am...)
Show SMILES Nc1ncnc2n(nc(SC3CCC3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H20N6O6S2/c15-11-8-12(18-5-17-11)20(19-13(8)27-6-2-1-3-6)14-10(22)9(21)7(26-14)4-25-28(16,23)24/h5-7,9-10,14,21-22H,1-4H2,(H2,15,17,18)(H2,16,23,24)/t7-,9-,10-,14-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM475993
PNG
(US10865208, Compound I-51 | {(2R,3S,4R,5R)-5-[4-am...)
Show SMILES CCSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C12H18N6O6S2/c1-2-25-11-6-9(13)15-4-16-10(6)18(17-11)12-8(20)7(19)5(24-12)3-23-26(14,21)22/h4-5,7-8,12,19-20H,2-3H2,1H3,(H2,13,15,16)(H2,14,21,22)/t5-,7-,8-,12-/m1/s1
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TBA

Assay Description
Inhibition of recombinant His-tagged human ATG7 incubated for 105 mins in presence of GST-tagged ATG3 and Flag-tagged Gabarap and measured after 2 hr...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115681
BindingDB Entry DOI: 10.7270/Q2M90DBR
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM475994
PNG
(US10865208, Compound I-52 | {(2R,3S,4R,5R)-5-[4-am...)
Show SMILES Nc1ncnc2n(nc(SCc3ccccc3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H20N6O6S2/c18-14-11-15(21-8-20-14)23(22-16(11)30-7-9-4-2-1-3-5-9)17-13(25)12(24)10(29-17)6-28-31(19,26)27/h1-5,8,10,12-13,17,24-25H,6-7H2,(H2,18,20,21)(H2,19,26,27)/t10-,12-,13-,17-/m1/s1
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TBA

Assay Description
Inhibition of recombinant His-tagged human ATG7 incubated for 105 mins in presence of GST-tagged ATG3 and Flag-tagged Gabarap and measured after 2 hr...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115681
BindingDB Entry DOI: 10.7270/Q2M90DBR
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476126
PNG
(US10865208, Compound I-181 | {(2R,3S,5R)-5-[4-amin...)
Show SMILES CC(C)Sc1nn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C13H20N6O5S2/c1-6(2)25-13-10-11(14)16-5-17-12(10)19(18-13)9-3-7(20)8(24-9)4-23-26(15,21)22/h5-9,20H,3-4H2,1-2H3,(H2,14,16,17)(H2,15,21,22)/t7-,8+,9+/m0/s1
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TBA

Assay Description
Inhibition of recombinant His-tagged human ATG7 incubated for 105 mins in presence of GST-tagged ATG3 and Flag-tagged Gabarap and measured after 2 hr...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115681
BindingDB Entry DOI: 10.7270/Q2M90DBR
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476025
PNG
(US10865208, Compound I-82 | {(2R,3S,4R,5R)-5-[4-am...)
Show SMILES Nc1ncnc2n(nc(Sc3ccccc3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H18N6O6S2/c17-13-10-14(20-7-19-13)22(21-15(10)29-8-4-2-1-3-5-8)16-12(24)11(23)9(28-16)6-27-30(18,25)26/h1-5,7,9,11-12,16,23-24H,6H2,(H2,17,19,20)(H2,18,25,26)/t9-,11-,12-,16-/m1/s1
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TBA

Assay Description
Inhibition of recombinant His-tagged human ATG7 incubated for 105 mins in presence of GST-tagged ATG3 and Flag-tagged Gabarap and measured after 2 hr...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115681
BindingDB Entry DOI: 10.7270/Q2M90DBR
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM475969
PNG
(US10865208, Compound I-27 | {(2R,3S,4R,5R)-5-[4-am...)
Show SMILES Nc1ncnc2n(nc(OC(F)F)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H14F2N6O7S/c12-11(13)26-9-4-7(14)16-2-17-8(4)19(18-9)10-6(21)5(20)3(25-10)1-24-27(15,22)23/h2-3,5-6,10-11,20-21H,1H2,(H2,14,16,17)(H2,15,22,23)/t3-,5-,6-,10-/m1/s1
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Assay Description
Inhibition of recombinant His-tagged human ATG7 incubated for 105 mins in presence of GST-tagged ATG3 and Flag-tagged Gabarap and measured after 2 hr...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115681
BindingDB Entry DOI: 10.7270/Q2M90DBR
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476049
PNG
(US10865208, Compound I-106 | [(2R,3R,4S,5R)-5-{4-a...)
Show SMILES Nc1ncnc2n(nc(Sc3cccc(Cl)c3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C16H16ClFN6O5S2/c17-7-2-1-3-8(4-7)30-15-10-13(19)21-6-22-14(10)24(23-15)16-11(18)12(25)9(29-16)5-28-31(20,26)27/h1-4,6,9,11-12,16,25H,5H2,(H2,19,21,22)(H2,20,26,27)/t9-,11+,12-,16-/m1/s1
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Assay Description
Inhibition of recombinant His-tagged human ATG7 incubated for 105 mins in presence of GST-tagged ATG3 and Flag-tagged Gabarap and measured after 2 hr...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115681
BindingDB Entry DOI: 10.7270/Q2M90DBR
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476131
PNG
(US10865208, Compound I-186 | {(2R,3S,5R)-5-[4-amin...)
Show SMILES Nc1ncnc2n(nc(Sc3ccc4OCCc4c3)c12)[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1 |r|
Show InChI InChI=1S/C18H20N6O6S2/c19-16-15-17(22-8-21-16)24(14-6-11(25)13(30-14)7-29-32(20,26)27)23-18(15)31-10-1-2-12-9(5-10)3-4-28-12/h1-2,5,8,11,13-14,25H,3-4,6-7H2,(H2,19,21,22)(H2,20,26,27)/t11-,13+,14+/m0/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476139
PNG
(US10865208, Compound I-194 | {(2R,3S,5R)-5-[4-amin...)
Show SMILES Nc1ncnc2n(nc(Sc3ccccn3)c12)[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1 |r|
Show InChI InChI=1S/C15H17N7O5S2/c16-13-12-14(20-7-19-13)22(21-15(12)28-10-3-1-2-4-18-10)11-5-8(23)9(27-11)6-26-29(17,24)25/h1-4,7-9,11,23H,5-6H2,(H2,16,19,20)(H2,17,24,25)/t8-,9+,11+/m0/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476144
PNG
(US10865208, Compound I-199 | [(2R,3S,5R)-5-{4-amin...)
Show SMILES COc1cccc(Sc2nn([C@H]3C[C@H](O)[C@@H](COS(N)(=O)=O)O3)c3ncnc(N)c23)c1 |r|
Show InChI InChI=1S/C17H20N6O6S2/c1-27-9-3-2-4-10(5-9)30-17-14-15(18)20-8-21-16(14)23(22-17)13-6-11(24)12(29-13)7-28-31(19,25)26/h2-5,8,11-13,24H,6-7H2,1H3,(H2,18,20,21)(H2,19,25,26)/t11-,12+,13+/m0/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476145
PNG
(US10865208, Compound I-200 | {(2R,3S,5R)-5-[4-amin...)
Show SMILES CSc1nn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C11H16N6O5S2/c1-23-11-8-9(12)14-4-15-10(8)17(16-11)7-2-5(18)6(22-7)3-21-24(13,19)20/h4-7,18H,2-3H2,1H3,(H2,12,14,15)(H2,13,19,20)/t5-,6+,7+/m0/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476146
PNG
(US10865208, Compound I-201 | {(2R,3S,5R)-5-[4-amin...)
Show SMILES Nc1ncnc2n(nc(Sc3ccc4OCCOc4c3)c12)[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1 |r|
Show InChI InChI=1S/C18H20N6O7S2/c19-16-15-17(22-8-21-16)24(14-6-10(25)13(31-14)7-30-33(20,26)27)23-18(15)32-9-1-2-11-12(5-9)29-4-3-28-11/h1-2,5,8,10,13-14,25H,3-4,6-7H2,(H2,19,21,22)(H2,20,26,27)/t10-,13+,14+/m0/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476086
PNG
(US10865208, Compound I-141 | [(2R,3R,4S,5R)-5-{4-a...)
Show SMILES Cc1cccc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)c1 |r|
Show InChI InChI=1S/C17H19FN6O5S2/c1-8-3-2-4-9(5-8)30-16-11-14(19)21-7-22-15(11)24(23-16)17-12(18)13(25)10(29-17)6-28-31(20,26)27/h2-5,7,10,12-13,17,25H,6H2,1H3,(H2,19,21,22)(H2,20,26,27)/t10-,12+,13-,17-/m1/s1
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TBA

Assay Description
Inhibition of recombinant His-tagged human ATG7 incubated for 105 mins in presence of GST-tagged ATG3 and Flag-tagged Gabarap and measured after 2 hr...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115681
BindingDB Entry DOI: 10.7270/Q2M90DBR
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476049
PNG
(US10865208, Compound I-106 | [(2R,3R,4S,5R)-5-{4-a...)
Show SMILES Nc1ncnc2n(nc(Sc3cccc(Cl)c3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C16H16ClFN6O5S2/c17-7-2-1-3-8(4-7)30-15-10-13(19)21-6-22-14(10)24(23-15)16-11(18)12(25)9(29-16)5-28-31(20,26)27/h1-4,6,9,11-12,16,25H,5H2,(H2,19,21,22)(H2,20,26,27)/t9-,11+,12-,16-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476052
PNG
(US10865208, Compound I-109 | [(2R,3R,4S,5R)-5-{4-a...)
Show SMILES Nc1ncnc2n(nc(Sc3ccccc3F)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C16H16F2N6O5S2/c17-7-3-1-2-4-9(7)30-15-10-13(19)21-6-22-14(10)24(23-15)16-11(18)12(25)8(29-16)5-28-31(20,26)27/h1-4,6,8,11-12,16,25H,5H2,(H2,19,21,22)(H2,20,26,27)/t8-,11+,12-,16-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476054
PNG
(US10865208, Compound I-111 | [(2R,3R,4S,5R)-5-{4-a...)
Show SMILES Nc1ncnc2n(nc(Sc3ccc(cn3)[N+]([O-])=O)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C15H15FN8O7S2/c16-10-11(25)7(4-30-33(18,28)29)31-15(10)23-13-9(12(17)20-5-21-13)14(22-23)32-8-2-1-6(3-19-8)24(26)27/h1-3,5,7,10-11,15,25H,4H2,(H2,17,20,21)(H2,18,28,29)/t7-,10+,11-,15-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476058
PNG
(US10865208, Compound I-115 | {(2R,3R,4S,5R)-5-[4-a...)
Show SMILES CSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C11H15FN6O5S2/c1-24-10-5-8(13)15-3-16-9(5)18(17-10)11-6(12)7(19)4(23-11)2-22-25(14,20)21/h3-4,6-7,11,19H,2H2,1H3,(H2,13,15,16)(H2,14,20,21)/t4-,6+,7-,11-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476059
PNG
(US10865208, Compound I-116 | [(2R,3R,4S,5R)-5-{4-a...)
Show SMILES Nc1ncnc2n(nc(Sc3cccc(F)c3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C16H16F2N6O5S2/c17-7-2-1-3-8(4-7)30-15-10-13(19)21-6-22-14(10)24(23-15)16-11(18)12(25)9(29-16)5-28-31(20,26)27/h1-4,6,9,11-12,16,25H,5H2,(H2,19,21,22)(H2,20,26,27)/t9-,11+,12-,16-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476060
PNG
(US10865208, Compound I-117 | [(2R,3R,4S,5R)-5-(4-a...)
Show SMILES Nc1ncnc2n(nc(Sc3cc(ccn3)C(F)(F)F)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C16H15F4N7O5S2/c17-10-11(28)7(4-31-34(22,29)30)32-15(10)27-13-9(12(21)24-5-25-13)14(26-27)33-8-3-6(1-2-23-8)16(18,19)20/h1-3,5,7,10-11,15,28H,4H2,(H2,21,24,25)(H2,22,29,30)/t7-,10+,11-,15-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476065
PNG
(US10865208, Compound I-122 | {(2R,3R,4S,5R)-5-[4-a...)
Show SMILES Nc1ncnc2n(nc(SC3CCCCC3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C16H23FN6O5S2/c17-11-12(24)9(6-27-30(19,25)26)28-16(11)23-14-10(13(18)20-7-21-14)15(22-23)29-8-4-2-1-3-5-8/h7-9,11-12,16,24H,1-6H2,(H2,18,20,21)(H2,19,25,26)/t9-,11+,12-,16-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476066
PNG
(US10865208, Compound I-123 | [(2R,3R,4S,5R)-5-{4-a...)
Show SMILES Nc1ncnc2n(nc(SC3CCOC3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C14H19FN6O6S2/c15-9-10(22)7(4-26-29(17,23)24)27-14(9)21-12-8(11(16)18-5-19-12)13(20-21)28-6-1-2-25-3-6/h5-7,9-10,14,22H,1-4H2,(H2,16,18,19)(H2,17,23,24)/t6?,7-,9+,10-,14-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476069
PNG
(US10865208, Compound I-126 | [(2R,3R,4S,5R)-5-{4-a...)
Show SMILES Nc1ncnc2n(nc(Sc3ccc(F)cc3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C16H16F2N6O5S2/c17-7-1-3-8(4-2-7)30-15-10-13(19)21-6-22-14(10)24(23-15)16-11(18)12(25)9(29-16)5-28-31(20,26)27/h1-4,6,9,11-12,16,25H,5H2,(H2,19,21,22)(H2,20,26,27)/t9-,11+,12-,16-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476073
PNG
(US10865208, Compound I-130 | [(2R,3R,4S,5R)-5-{4-a...)
Show SMILES Nc1ncnc2n(nc(Sc3cc(ccn3)C#N)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C16H15FN8O5S2/c17-11-12(26)8(5-29-32(20,27)28)30-16(11)25-14-10(13(19)22-6-23-14)15(24-25)31-9-3-7(4-18)1-2-21-9/h1-3,6,8,11-12,16,26H,5H2,(H2,19,22,23)(H2,20,27,28)/t8-,11+,12-,16-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476074
PNG
(US10865208, Compound I-131 | {(2R,3R,4S,5R)-5-[4-a...)
Show SMILES Nc1ncnc2n(nc(SCC3CC3(F)F)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C14H17F3N6O5S2/c15-8-9(24)6(2-27-30(19,25)26)28-13(8)23-11-7(10(18)20-4-21-11)12(22-23)29-3-5-1-14(5,16)17/h4-6,8-9,13,24H,1-3H2,(H2,18,20,21)(H2,19,25,26)/t5?,6-,8+,9-,13-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476076
PNG
(US10865208, Compound I-133 | [(2R,3R,4S,5R)-5-{4-a...)
Show SMILES Nc1ncnc2n(nc(Sc3ccc(Cl)cc3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C16H16ClFN6O5S2/c17-7-1-3-8(4-2-7)30-15-10-13(19)21-6-22-14(10)24(23-15)16-11(18)12(25)9(29-16)5-28-31(20,26)27/h1-4,6,9,11-12,16,25H,5H2,(H2,19,21,22)(H2,20,26,27)/t9-,11+,12-,16-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476078
PNG
(US10865208, Compound I-135 | [(2R,3R,4S,5R)-5-{4-a...)
Show SMILES Nc1ncnc2n(nc(SCC3CC3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C14H19FN6O5S2/c15-9-10(22)7(3-25-28(17,23)24)26-14(9)21-12-8(11(16)18-5-19-12)13(20-21)27-4-6-1-2-6/h5-7,9-10,14,22H,1-4H2,(H2,16,18,19)(H2,17,23,24)/t7-,9+,10-,14-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476079
PNG
(US10865208, Compound I-136 | US10865208, Compound ...)
Show SMILES CCC(C)Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C14H21FN6O5S2/c1-3-6(2)27-13-8-11(16)18-5-19-12(8)21(20-13)14-9(15)10(22)7(26-14)4-25-28(17,23)24/h5-7,9-10,14,22H,3-4H2,1-2H3,(H2,16,18,19)(H2,17,23,24)/t6?,7-,9+,10-,14-/m1/s1
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MILLENNIUM PHARMACEUTICALS, INC.

US Patent


Assay Description
The total volume of the ATG7 enzymatic assay is 50 μL and contains 50 mM HEPES Hemisodium (pH 7.5), 0.05% BSA, 0.01% Tween-20, 25 mM NaCl, 5 mM ...


US Patent US10865208 (2020)


BindingDB Entry DOI: 10.7270/Q23B6366
More data for this
Ligand-Target Pair
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