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Patent code US10865208

Compile Data Set for Download or QSAR

Found 231 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
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
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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n/an/a<20n/an/an/an/an/an/a



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)

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
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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n/an/a<20n/an/an/an/an/an/a



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)

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
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)

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
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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n/an/a<20n/an/an/an/an/an/a



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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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)

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
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n/an/a<20n/an/an/an/an/an/a



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)

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
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)

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
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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476119
PNG
(US10865208, Compound I-174 | {(2R,3S,5R)-5-[4-amin...)
Show SMILES Nc1ncnc2n(nc(Sc3nccs3)c12)[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1
Show InChI InChI=1S/C13H15N7O5S3/c14-10-9-11(18-5-17-10)20(19-12(9)27-13-16-1-2-26-13)8-3-6(21)7(25-8)4-24-28(15,22)23/h1-2,5-8,21H,3-4H2,(H2,14,17,18)(H2,15,22,23)/t6-,7+,8+/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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM475975
PNG
(US10865208, Compound I-33 | [(2R,3S,4R,5R)-5-(4-am...)
Show SMILES Nc1ncnc2n(nc(SCc3ccc(cc3)C(F)(F)F)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C18H19F3N6O6S2/c19-18(20,21)9-3-1-8(2-4-9)6-34-16-11-14(22)24-7-25-15(11)27(26-16)17-13(29)12(28)10(33-17)5-32-35(23,30)31/h1-4,7,10,12-13,17,28-29H,5-6H2,(H2,22,24,25)(H2,23,30,31)/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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM475981
PNG
(US10865208, Compound I-39 | [(2R,3S,4R,5R)-5-{4-am...)
Show SMILES Cc1ccccc1CSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C18H22N6O6S2/c1-9-4-2-3-5-10(9)7-31-17-12-15(19)21-8-22-16(12)24(23-17)18-14(26)13(25)11(30-18)6-29-32(20,27)28/h2-5,8,11,13-14,18,25-26H,6-7H2,1H3,(H2,19,21,22)(H2,20,27,28)/t11-,13-,14-,18-/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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM475983
PNG
(US10865208, Compound I-41 | [(2R,3S,4R,5R)-5-{4-am...)
Show SMILES Cc1ccc(CSc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)cc1
Show InChI InChI=1S/C18H22N6O6S2/c1-9-2-4-10(5-3-9)7-31-17-12-15(19)21-8-22-16(12)24(23-17)18-14(26)13(25)11(30-18)6-29-32(20,27)28/h2-5,8,11,13-14,18,25-26H,6-7H2,1H3,(H2,19,21,22)(H2,20,27,28)/t11-,13-,14-,18-/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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM475985
PNG
(US10865208, Compound I-43 | {(2R,3S,4R,5R)-5-[4-am...)
Show SMILES Nc1ncnc2n(nc(SCC#C)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C13H16N6O6S2/c1-2-3-26-12-7-10(14)16-5-17-11(7)19(18-12)13-9(21)8(20)6(25-13)4-24-27(15,22)23/h1,5-6,8-9,13,20-21H,3-4H2,(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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476002
PNG
(US10865208, Compound I-59 | [(2R,3S,4R,5R)-5-{4-am...)
Show SMILES Nc1ncnc2n(nc(SCc3ccccn3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H19N7O6S2/c17-13-10-14(21-7-20-13)23(22-15(10)30-6-8-3-1-2-4-19-8)16-12(25)11(24)9(29-16)5-28-31(18,26)27/h1-4,7,9,11-12,16,24-25H,5-6H2,(H2,17,20,21)(H2,18,26,27)/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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476007
PNG
(US10865208, Compound I-64 | [(2R,3S,4R,5R)-5-{4-am...)
Show SMILES Nc1ncnc2n(nc(Sc3ccc(Cl)cc3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H17ClN6O6S2/c17-7-1-3-8(4-2-7)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)

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
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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476102
PNG
(US10865208, Compound I-157 | [(2R,3R,4S,5R)-5-(4-a...)
Show SMILES CC(Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12)C1CC1
Show InChI InChI=1S/C15H21FN6O5S2/c1-6(7-2-3-7)28-14-9-12(17)19-5-20-13(9)22(21-14)15-10(16)11(23)8(27-15)4-26-29(18,24)25/h5-8,10-11,15,23H,2-4H2,1H3,(H2,17,19,20)(H2,18,24,25)/t6?,8-,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)

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
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)

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
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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476094
PNG
(US10865208, Compound I-149 | [(2R,3R,4S,5R)-5-(4-a...)
Show SMILES CC(Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12)C#N
Show InChI InChI=1S/C13H16FN7O5S2/c1-5(2-15)27-12-7-10(16)18-4-19-11(7)21(20-12)13-8(14)9(22)6(26-13)3-25-28(17,23)24/h4-6,8-9,13,22H,3H2,1H3,(H2,16,18,19)(H2,17,23,24)/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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476118
PNG
(US10865208, Compound I-173 | [(2R,3S,5R)-5-{4-amin...)
Show SMILES COc1ccc(F)c(Sc2nn([C@H]3C[C@H](O)[C@@H](COS(N)(=O)=O)O3)c3ncnc(N)c23)c1
Show InChI InChI=1S/C17H19FN6O6S2/c1-28-8-2-3-9(18)12(4-8)31-17-14-15(19)21-7-22-16(14)24(23-17)13-5-10(25)11(30-13)6-29-32(20,26)27/h2-4,7,10-11,13,25H,5-6H2,1H3,(H2,19,21,22)(H2,20,26,27)/t10-,11+,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)

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
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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM475995
PNG
(US10865208, Compound I-53 | {(2R,3S,4R,5R)-5-[4-am...)
Show SMILES CC(C)(C)Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C14H22N6O6S2/c1-14(2,3)27-12-7-10(15)17-5-18-11(7)20(19-12)13-9(22)8(21)6(26-13)4-25-28(16,23)24/h5-6,8-9,13,21-22H,4H2,1-3H3,(H2,15,17,18)(H2,16,23,24)/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)

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
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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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)

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
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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476089
PNG
(US10865208, Compound I-144 | [(2R,3R,4S,5R)-5-(4-a...)
Show SMILES CC(CO)Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]2F)c2ncnc(N)c12
Show InChI InChI=1S/C13H19FN6O6S2/c1-5(2-21)27-12-7-10(15)17-4-18-11(7)20(19-12)13-8(14)9(22)6(26-13)3-25-28(16,23)24/h4-6,8-9,13,21-22H,2-3H2,1H3,(H2,15,17,18)(H2,16,23,24)/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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476091
PNG
(US10865208, Compound I-146 | [(2R,3R,4S,5R)-5-{4-a...)
Show SMILES Nc1ncnc2n(nc(Sc3ccc(Cl)cn3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C15H15ClFN7O5S2/c16-6-1-2-8(20-3-6)30-14-9-12(18)21-5-22-13(9)24(23-14)15-10(17)11(25)7(29-15)4-28-31(19,26)27/h1-3,5,7,10-11,15,25H,4H2,(H2,18,21,22)(H2,19,26,27)/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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476123
PNG
(US10865208, Compound I-178 | [(2R,3S,5R)-5-{4-amin...)
Show SMILES COc1ccc(Sc2nn([C@H]3C[C@H](O)[C@@H](COS(N)(=O)=O)O3)c3ncnc(N)c23)c(F)c1
Show InChI InChI=1S/C17H19FN6O6S2/c1-28-8-2-3-12(9(18)4-8)31-17-14-15(19)21-7-22-16(14)24(23-17)13-5-10(25)11(30-13)6-29-32(20,26)27/h2-4,7,10-11,13,25H,5-6H2,1H3,(H2,19,21,22)(H2,20,26,27)/t10-,11+,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)

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
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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM475977
PNG
(US10865208, Compound I-35 | [(2R,3S,4R,5R)-5-{4-am...)
Show SMILES COCCSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12
Show InChI InChI=1S/C13H20N6O7S2/c1-24-2-3-27-12-7-10(14)16-5-17-11(7)19(18-12)13-9(21)8(20)6(26-13)4-25-28(15,22)23/h5-6,8-9,13,20-21H,2-4H2,1H3,(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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476006
PNG
(US10865208, Compound I-63 | [(2R,3S,4R,5R)-5-{4-am...)
Show SMILES Nc1ncnc2n(nc(SCc3ccc(F)cc3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H19FN6O6S2/c18-9-3-1-8(2-4-9)6-31-16-11-14(19)21-7-22-15(11)24(23-16)17-13(26)12(25)10(30-17)5-29-32(20,27)28/h1-4,7,10,12-13,17,25-26H,5-6H2,(H2,19,21,22)(H2,20,27,28)/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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476028
PNG
(US10865208, Compound I-85 | [(2R,3S,4R,5R)-5-{4-am...)
Show SMILES Nc1ncnc2n(nc(SC(F)F)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H14F2N6O6S2/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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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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476033
PNG
(US10865208, Compound I-90 | [(2R,3S,4R,5R)-5-{4-am...)
Show SMILES Nc1ncnc2n(nc(SCC#N)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H15N7O6S2/c13-1-2-26-11-6-9(14)16-4-17-10(6)19(18-11)12-8(21)7(20)5(25-12)3-24-27(15,22)23/h4-5,7-8,12,20-21H,2-3H2,(H2,14,16,17)(H2,15,22,23)/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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476100
PNG
(US10865208, Compound I-155 | {(2R,3R,4S,5R)-5-[4-a...)
Show SMILES Nc1ncnc2n(nc(SCc3ccccc3)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C17H19FN6O5S2/c18-12-13(25)10(6-28-31(20,26)27)29-17(12)24-15-11(14(19)21-8-22-15)16(23-24)30-7-9-4-2-1-3-5-9/h1-5,8,10,12-13,17,25H,6-7H2,(H2,19,21,22)(H2,20,26,27)/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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM476122
PNG
(US10865208, Compound I-177 | {(2R,3S,5R)-5-[4-amin...)
Show SMILES CC(C)(C)Sc1nn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12
Show InChI InChI=1S/C14H22N6O5S2/c1-14(2,3)26-13-10-11(15)17-6-18-12(10)20(19-13)9-4-7(21)8(25-9)5-24-27(16,22)23/h6-9,21H,4-5H2,1-3H3,(H2,15,17,18)(H2,16,22,23)/t7-,8+,9+/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)

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
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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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)

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
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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM475954
PNG
(US10865208, Compound I-13 | [(2R,3S,4R,5R)-5-(4-am...)
Show SMILES Nc1ncnc2n(nc(C#N)c12)[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H13N7O6S/c12-1-4-6-9(13)15-3-16-10(6)18(17-4)11-8(20)7(19)5(24-11)2-23-25(14,21)22/h3,5,7-8,11,19-20H,2H2,(H2,13,15,16)(H2,14,21,22)/t5-,7-,8-,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)

More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme ATG7


(Homo sapiens (Human))
BDBM475980
PNG
(US10865208, Compound I-38 | [(2R,3S,4R,5R)-5-{4-am...)
Show SMILES COc1ccc(CSc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)c3ncnc(N)c23)cc1
Show InChI InChI=1S/C18H22N6O7S2/c1-29-10-4-2-9(3-5-10)7-32-17-12-15(19)21-8-22-16(12)24(23-17)18-14(26)13(25)11(31-18)6-30-33(20,27)28/h2-5,8,11,13-14,18,25-26H,6-7H2,1H3,(H2,19,21,22)(H2,20,27,28)/t11-,13-,14-,18-/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)

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