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Compile Data Set for Download or QSAR

Found 125 hits Enz. Inhib. hit(s) with all data for entry = 2063   
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
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329827
PNG
((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(3-(trimet...)
Show SMILES C[Si](C)(C)c1cccc(c1)-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r|
Show InChI InChI=1S/C21H29N5O5SSi/c1-33(2,3)15-6-4-5-13(9-15)16-11-19-23-8-7-18(26(19)25-16)24-17-10-14(20(27)21(17)28)12-31-32(22,29)30/h4-9,11,14,17,20-21,24,27-28H,10,12H2,1-3H3,(H2,22,29,30)/t14-,17-,20-,21+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329828
PNG
((rac)-((1R,2R,3S,4R)-2,3-Dihydroxy-4-((2-(3-(pyrid...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(c2)-c2ccccn2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C23H24N6O5S/c24-35(32,33)34-13-16-11-19(23(31)22(16)30)27-20-7-9-26-21-12-18(28-29(20)21)15-5-3-4-14(10-15)17-6-1-2-8-25-17/h1-10,12,16,19,22-23,27,30-31H,11,13H2,(H2,24,32,33)/t16-,19-,22-,23+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329829
PNG
((rac)-[(1R,2R,3S,4R)-4-{[2-(9H-carbazol-3-yl)pyraz...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2ccc3[nH]c4ccccc4c3c2)[C@H](O)[C@@H]1O |r|
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329830
PNG
((rac)-[(1R,2R,3S,4R)-2,3-dihydroxy-4-{[2-(5-methyl...)
Show SMILES Cc1sc(nc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H24N6O5S2/c1-12-19(26-22(34-12)13-5-3-2-4-6-13)15-10-18-24-8-7-17(28(18)27-15)25-16-9-14(20(29)21(16)30)11-33-35(23,31)32/h2-8,10,14,16,20-21,25,29-30H,9,11H2,1H3,(H2,23,31,32)/t14-,16-,20-,21+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329831
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(7-chloroquinolin-4-yl)p...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2ccnc3cc(Cl)ccc23)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H21ClN6O5S/c22-12-1-2-13-14(3-5-24-15(13)8-12)16-9-19-25-6-4-18(28(19)27-16)26-17-7-11(20(29)21(17)30)10-33-34(23,31)32/h1-6,8-9,11,17,20-21,26,29-30H,7,10H2,(H2,23,31,32)/t11-,17-,20-,21+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329832
PNG
((rac)-((1R,2R,3S,4R)-2,3-Dihydroxy-4-((2-(3-(trifl...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(OC(F)(F)F)c2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C19H20F3N5O6S/c20-19(21,22)33-12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-34(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329833
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(3,3-dimethyl-2,3-dihydr...)
Show SMILES CC1(C)CCc2ccc(cc12)-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r|
Show InChI InChI=1S/C23H29N5O5S/c1-23(2)7-5-13-3-4-14(9-16(13)23)17-11-20-25-8-6-19(28(20)27-17)26-18-10-15(21(29)22(18)30)12-33-34(24,31)32/h3-4,6,8-9,11,15,18,21-22,26,29-30H,5,7,10,12H2,1-2H3,(H2,24,31,32)/t15-,18-,21-,22+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329834
PNG
((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(quinolin-...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2ccc3ccccc3n2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H22N6O5S/c22-33(30,31)32-11-13-9-17(21(29)20(13)28)25-18-7-8-23-19-10-16(26-27(18)19)15-6-5-12-3-1-2-4-14(12)24-15/h1-8,10,13,17,20-21,25,28-29H,9,11H2,(H2,22,30,31)/t13-,17-,20-,21+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329835
PNG
((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(quinolin-...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2ccc3cccnc3c2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H22N6O5S/c22-33(30,31)32-11-14-9-17(21(29)20(14)28)25-18-5-7-24-19-10-16(26-27(18)19)13-4-3-12-2-1-6-23-15(12)8-13/h1-8,10,14,17,20-21,25,28-29H,9,11H2,(H2,22,30,31)/t14-,17-,20-,21+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329836
PNG
((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(3-(triflu...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(SC(F)(F)F)c2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C19H20F3N5O5S2/c20-19(21,22)33-12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-34(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329837
PNG
((rac)-((1R,2R,3S,4R)-4-((2-(Benzo[b]thiophen-7-yl)...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3ccsc23)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H21N5O5S2/c21-32(28,29)30-10-12-8-15(19(27)18(12)26)23-16-4-6-22-17-9-14(24-25(16)17)13-3-1-2-11-5-7-31-20(11)13/h1-7,9,12,15,18-19,23,26-27H,8,10H2,(H2,21,28,29)/t12-,15-,18-,19+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329838
PNG
((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(3-(pyrrol...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(c2)N2CCCC2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C22H28N6O5S/c23-34(31,32)33-13-15-11-18(22(30)21(15)29)25-19-6-7-24-20-12-17(26-28(19)20)14-4-3-5-16(10-14)27-8-1-2-9-27/h3-7,10,12,15,18,21-22,25,29-30H,1-2,8-9,11,13H2,(H2,23,31,32)/t15-,18-,21-,22+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329839
PNG
((rac)-(1R,2R,3S,4R)-4-(2-(3-cyclopentenylphenyl)py...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(c2)C2=CCCC2)[C@H](O)[C@@H]1O |r,t:28|
Show InChI InChI=1S/C23H27N5O5S/c24-34(31,32)33-13-17-11-19(23(30)22(17)29)26-20-8-9-25-21-12-18(27-28(20)21)16-7-3-6-15(10-16)14-4-1-2-5-14/h3-4,6-10,12,17,19,22-23,26,29-30H,1-2,5,11,13H2,(H2,24,31,32)/t17-,19-,22-,23+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329840
PNG
((rac)-[(1R,2R,3S,4R)-4-{[2-(3-cyclopentylphenyl)py...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(c2)C2CCCC2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C23H29N5O5S/c24-34(31,32)33-13-17-11-19(23(30)22(17)29)26-20-8-9-25-21-12-18(27-28(20)21)16-7-3-6-15(10-16)14-4-1-2-5-14/h3,6-10,12,14,17,19,22-23,26,29-30H,1-2,4-5,11,13H2,(H2,24,31,32)/t17-,19-,22-,23+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329841
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(benzofuran-3-yl)pyrazol...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2coc3ccccc23)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H21N5O6S/c21-32(28,29)31-9-11-7-15(20(27)19(11)26)23-17-5-6-22-18-8-14(24-25(17)18)13-10-30-16-4-2-1-3-12(13)16/h1-6,8,10-11,15,19-20,23,26-27H,7,9H2,(H2,21,28,29)/t11-,15-,19-,20+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329842
PNG
((rac)-((1R,2R,3S,4R)-4-((2-(3-(Difluoromethoxy)phe...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(OC(F)F)c2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C19H21F2N5O6S/c20-19(21)32-12-3-1-2-10(6-12)13-8-16-23-5-4-15(26(16)25-13)24-14-7-11(17(27)18(14)28)9-31-33(22,29)30/h1-6,8,11,14,17-19,24,27-28H,7,9H2,(H2,22,29,30)/t11-,14-,17-,18+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329844
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(6-tert-butylpyridin-2-y...)
Show SMILES CC(C)(C)c1cccc(n1)-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r|
Show InChI InChI=1S/C21H28N6O5S/c1-21(2,3)16-6-4-5-13(24-16)14-10-18-23-8-7-17(27(18)26-14)25-15-9-12(19(28)20(15)29)11-32-33(22,30)31/h4-8,10,12,15,19-20,25,28-29H,9,11H2,1-3H3,(H2,22,30,31)/t12-,15-,19-,20+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329845
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(3,3-dimethyl-1,3-dihydr...)
Show SMILES CC1(C)OCc2ccc(cc12)-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r|
Show InChI InChI=1S/C22H27N5O6S/c1-22(2)15-7-12(3-4-13(15)10-32-22)16-9-19-24-6-5-18(27(19)26-16)25-17-8-14(20(28)21(17)29)11-33-34(23,30)31/h3-7,9,14,17,20-21,25,28-29H,8,10-11H2,1-2H3,(H2,23,30,31)/t14-,17-,20-,21+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329846
PNG
((rac)-[(1R,2R,3S,4R)-4-{[2-(5-chloro-1H-indol-3-yl...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2c[nH]c3ccc(Cl)cc23)[C@H](O)[C@@H]1O |r|
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329847
PNG
((rac)-[(1R,2R,3S,4R)-4-{[2-(6-chloro-1H-indol-3-yl...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2c[nH]c3cc(Cl)ccc23)[C@H](O)[C@@H]1O |r|
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329848
PNG
((rac)-((1R,2R,3S,4R)-4-((2-(Dibenzo[b,d]thiophen-4...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3c4ccccc4sc23)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C24H23N5O5S2/c25-36(32,33)34-12-13-10-18(23(31)22(13)30)27-20-8-9-26-21-11-17(28-29(20)21)16-6-3-5-15-14-4-1-2-7-19(14)35-24(15)16/h1-9,11,13,18,22-23,27,30-31H,10,12H2,(H2,25,32,33)/t13-,18-,22-,23+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329849
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(5-chloro-2-(trifluorome...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cc(Cl)ccc2OC(F)(F)F)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C19H19ClF3N5O6S/c20-10-1-2-14(34-19(21,22)23)11(6-10)12-7-16-25-4-3-15(28(16)27-12)26-13-5-9(17(29)18(13)30)8-33-35(24,31)32/h1-4,6-7,9,13,17-18,26,29-30H,5,8H2,(H2,24,31,32)/t9-,13-,17-,18+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329850
PNG
((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(3-(1,1,1-...)
Show SMILES CC(C)(c1cccc(c1)-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1)C(F)(F)F |r|
Show InChI InChI=1S/C22H26F3N5O5S/c1-21(2,22(23,24)25)14-5-3-4-12(8-14)15-10-18-27-7-6-17(30(18)29-15)28-16-9-13(19(31)20(16)32)11-35-36(26,33)34/h3-8,10,13,16,19-20,28,31-32H,9,11H2,1-2H3,(H2,26,33,34)/t13-,16-,19-,20+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329853
PNG
((rac)-((1R,2R,3S,4R)-4-((2-(Benzo[b]thiophen-4-yl)...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3sccc23)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H21N5O5S2/c21-32(28,29)30-10-11-8-15(20(27)19(11)26)23-17-4-6-22-18-9-14(24-25(17)18)12-2-1-3-16-13(12)5-7-31-16/h1-7,9,11,15,19-20,23,26-27H,8,10H2,(H2,21,28,29)/t11-,15-,19-,20+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329854
PNG
((rac)-[(1R,2R,3S,4R)-4-{[2-(9H-carbazol-2-yl)pyraz...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2ccc3c(c2)[nH]c2ccccc32)[C@H](O)[C@@H]1O |r|
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM347108
PNG
(US10202389, Compound I-063 | US10202389, Example 9...)
Show SMILES COc1ccc(cc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1)C(C)(C)C |r|
Show InChI InChI=1S/C23H31N5O6S/c1-23(2,3)14-5-6-18(33-4)15(10-14)16-11-20-25-8-7-19(28(20)27-16)26-17-9-13(21(29)22(17)30)12-34-35(24,31)32/h5-8,10-11,13,17,21-22,26,29-30H,9,12H2,1-4H3,(H2,24,31,32)/t13-,17-,21-,22+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329857
PNG
((rac)-((1R,2R,3S,4R)-2,3-Dihydroxy-4-((2-(2-methox...)
Show SMILES COc1ccc(cc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1)C(F)(F)F |r|
Show InChI InChI=1S/C20H22F3N5O6S/c1-33-15-3-2-11(20(21,22)23)7-12(15)13-8-17-25-5-4-16(28(17)27-13)26-14-6-10(18(29)19(14)30)9-34-35(24,31)32/h2-5,7-8,10,14,18-19,26,29-30H,6,9H2,1H3,(H2,24,31,32)/t10-,14-,18-,19+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329858
PNG
((rac)-((1R,2R,3S,4R)-2,3-Dihydroxy-4-((2-(2-methox...)
Show SMILES COc1ccc(OC(F)(F)F)cc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r|
Show InChI InChI=1S/C20H22F3N5O7S/c1-33-15-3-2-11(35-20(21,22)23)7-12(15)13-8-17-25-5-4-16(28(17)27-13)26-14-6-10(18(29)19(14)30)9-34-36(24,31)32/h2-5,7-8,10,14,18-19,26,29-30H,6,9H2,1H3,(H2,24,31,32)/t10-,14-,18-,19+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329910
PNG
((s.e.)-((1R,2R,3S,4R)-4-(2-(4-fluoronaphthalen-2-y...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cc(F)c3ccccc3c2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C22H22FN5O5S/c23-16-8-13(7-12-3-1-2-4-15(12)16)17-10-20-25-6-5-19(28(20)27-17)26-18-9-14(21(29)22(18)30)11-33-34(24,31)32/h1-8,10,14,18,21-22,26,29-30H,9,11H2,(H2,24,31,32)/t14-,18-,21-,22+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329911
PNG
((s.e.)-((1R,2R,3S,4R)-4-(2-(1-fluoronaphthalen-2-y...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2ccc3ccccc3c2F)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C22H22FN5O5S/c23-20-14-4-2-1-3-12(14)5-6-15(20)16-10-19-25-8-7-18(28(19)27-16)26-17-9-13(21(29)22(17)30)11-33-34(24,31)32/h1-8,10,13,17,21-22,26,29-30H,9,11H2,(H2,24,31,32)/t13-,17-,21-,22+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329912
PNG
((s.e.)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(2-methox...)
Show SMILES COc1ccc(SC(F)(F)F)cc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r|
Show InChI InChI=1S/C20H22F3N5O6S2/c1-33-15-3-2-11(35-20(21,22)23)7-12(15)13-8-17-25-5-4-16(28(17)27-13)26-14-6-10(18(29)19(14)30)9-34-36(24,31)32/h2-5,7-8,10,14,18-19,26,29-30H,6,9H2,1H3,(H2,24,31,32)/t10-,14-,18-,19+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329913
PNG
((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-{[2-(6-phenyl...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cncc(n2)-c2ccccc2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C22H23N7O5S/c23-35(32,33)34-12-14-8-16(22(31)21(14)30)27-19-6-7-25-20-9-15(28-29(19)20)18-11-24-10-17(26-18)13-4-2-1-3-5-13/h1-7,9-11,14,16,21-22,27,30-31H,8,12H2,(H2,23,32,33)/t14-,16-,21-,22+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329914
PNG
((rac)-[(1R,2R,3S,4R)-2,3-dihydroxy-4-({2-[3-(1-met...)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r|
Show InChI InChI=1S/C22H25N7O5S/c1-28-11-16(10-25-28)13-3-2-4-14(7-13)17-9-20-24-6-5-19(29(20)27-17)26-18-8-15(21(30)22(18)31)12-34-35(23,32)33/h2-7,9-11,15,18,21-22,26,30-31H,8,12H2,1H3,(H2,23,32,33)/t15-,18-,21-,22+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329915
PNG
((rac)-{(1R,2R,3S,4R)-4-[(2-{3-[2-chloro-1-(hydroxy...)
Show SMILES CC(CO)(CCl)c1cccc(c1)-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r|
Show InChI InChI=1S/C22H28ClN5O6S/c1-22(11-23,12-29)15-4-2-3-13(7-15)16-9-19-25-6-5-18(28(19)27-16)26-17-8-14(20(30)21(17)31)10-34-35(24,32)33/h2-7,9,14,17,20-21,26,29-31H,8,10-12H2,1H3,(H2,24,32,33)/t14-,17-,20-,21+,22?/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329794
PNG
((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-{[2-(1-naphth...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3ccccc23)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C22H23N5O5S/c23-33(30,31)32-12-14-10-18(22(29)21(14)28)25-19-8-9-24-20-11-17(26-27(19)20)16-7-3-5-13-4-1-2-6-15(13)16/h1-9,11,14,18,21-22,25,28-29H,10,12H2,(H2,23,30,31)/t14-,18-,21-,22+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329795
PNG
((rac)((1R,2R,3S,4R)-4-(2-(biphenyl-3-yl)pyrazolo[1...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(c2)-c2ccccc2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C24H25N5O5S/c25-35(32,33)34-14-18-12-20(24(31)23(18)30)27-21-9-10-26-22-13-19(28-29(21)22)17-8-4-7-16(11-17)15-5-2-1-3-6-15/h1-11,13,18,20,23-24,27,30-31H,12,14H2,(H2,25,32,33)/t18-,20-,23-,24+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329797
PNG
((rac)-((1R,2R,3S,4R)-4-((2-(3-Chlorophenyl)pyrazol...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(Cl)c2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C18H20ClN5O5S/c19-12-3-1-2-10(6-12)13-8-16-21-5-4-15(24(16)23-13)22-14-7-11(17(25)18(14)26)9-29-30(20,27)28/h1-6,8,11,14,17-18,22,25-26H,7,9H2,(H2,20,27,28)/t11-,14-,17-,18+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329799
PNG
((rac)-((1R,2R,3S,4R)-2,3-Dihydroxy-4-((2-(3-(trifl...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(c2)C(F)(F)F)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C19H20F3N5O5S/c20-19(21,22)12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-33(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329802
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(dibenzo[b,d]furan-4-yl)...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3c4ccccc4oc23)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C24H23N5O6S/c25-36(32,33)34-12-13-10-18(23(31)22(13)30)27-20-8-9-26-21-11-17(28-29(20)21)16-6-3-5-15-14-4-1-2-7-19(14)35-24(15)16/h1-9,11,13,18,22-23,27,30-31H,10,12H2,(H2,25,32,33)/t13-,18-,22-,23+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329807
PNG
((rac)-((1R,2R,3S,4R)-4-((2-(3-(tert-Butyl)phenyl)p...)
Show SMILES CC(C)(C)c1cccc(c1)-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r|
Show InChI InChI=1S/C22H29N5O5S/c1-22(2,3)15-6-4-5-13(9-15)16-11-19-24-8-7-18(27(19)26-16)25-17-10-14(20(28)21(17)29)12-32-33(23,30)31/h4-9,11,14,17,20-21,25,28-29H,10,12H2,1-3H3,(H2,23,30,31)/t14-,17-,20-,21+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329859
PNG
((rac)-[(1R,2R,3S,4R)-2,3-dihydroxy-4-{[2-(2-phenyl...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cnc(o2)-c2ccccc2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H22N6O6S/c22-34(30,31)32-11-13-8-15(20(29)19(13)28)25-17-6-7-23-18-9-14(26-27(17)18)16-10-24-21(33-16)12-4-2-1-3-5-12/h1-7,9-10,13,15,19-20,25,28-29H,8,11H2,(H2,22,30,31)/t13-,15-,19-,20+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329862
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(4-fluoro-2-methoxypheny...)
Show SMILES COc1cc(F)ccc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r|
Show InChI InChI=1S/C19H22FN5O6S/c1-30-15-7-11(20)2-3-12(15)13-8-17-22-5-4-16(25(17)24-13)23-14-6-10(18(26)19(14)27)9-31-32(21,28)29/h2-5,7-8,10,14,18-19,23,26-27H,6,9H2,1H3,(H2,21,28,29)/t10-,14-,18-,19+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329863
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(5-chlorobenzo[b]thiophe...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2csc3ccc(Cl)cc23)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H20ClN5O5S2/c21-11-1-2-16-12(6-11)13(9-32-16)14-7-18-23-4-3-17(26(18)25-14)24-15-5-10(19(27)20(15)28)8-31-33(22,29)30/h1-4,6-7,9-10,15,19-20,24,27-28H,5,8H2,(H2,22,29,30)/t10-,15-,19-,20+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329864
PNG
((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(2-methoyp...)
Show SMILES COc1ccccc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r|
Show InChI InChI=1S/C19H23N5O6S/c1-29-15-5-3-2-4-12(15)13-9-17-21-7-6-16(24(17)23-13)22-14-8-11(18(25)19(14)26)10-30-31(20,27)28/h2-7,9,11,14,18-19,22,25-26H,8,10H2,1H3,(H2,20,27,28)/t11-,14-,18-,19+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329867
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(1H-indol-4-yl)pyrazolo[...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3[nH]ccc23)[C@H](O)[C@@H]1O |r|
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329868
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(3-(cyclopropylmethylthi...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(SCC3CC3)c2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C22H27N5O5S2/c23-34(30,31)32-11-15-9-18(22(29)21(15)28)25-19-6-7-24-20-10-17(26-27(19)20)14-2-1-3-16(8-14)33-12-13-4-5-13/h1-3,6-8,10,13,15,18,21-22,25,28-29H,4-5,9,11-12H2,(H2,23,30,31)/t15-,18-,21-,22+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329869
PNG
((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(3-(piperi...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(c2)N2CCCCC2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C23H30N6O5S/c24-35(32,33)34-14-16-12-19(23(31)22(16)30)26-20-7-8-25-21-13-18(27-29(20)21)15-5-4-6-17(11-15)28-9-2-1-3-10-28/h4-8,11,13,16,19,22-23,26,30-31H,1-3,9-10,12,14H2,(H2,24,32,33)/t16-,19-,22-,23+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329870
PNG
((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(3-morphol...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(c2)N2CCOCC2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C22H28N6O6S/c23-35(31,32)34-13-15-11-18(22(30)21(15)29)25-19-4-5-24-20-12-17(26-28(19)20)14-2-1-3-16(10-14)27-6-8-33-9-7-27/h1-5,10,12,15,18,21-22,25,29-30H,6-9,11,13H2,(H2,23,31,32)/t15-,18-,21-,22+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329873
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(5-fluorobenzo[b]thiophe...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2csc3ccc(F)cc23)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H20FN5O5S2/c21-11-1-2-16-12(6-11)13(9-32-16)14-7-18-23-4-3-17(26(18)25-14)24-15-5-10(19(27)20(15)28)8-31-33(22,29)30/h1-4,6-7,9-10,15,19-20,24,27-28H,5,8H2,(H2,22,29,30)/t10-,15-,19-,20+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2


(Homo sapiens (Human))
BDBM329874
PNG
((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(3-(2-meth...)
Show SMILES COC(C)(C)c1cccc(c1)-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1 |r|
Show InChI InChI=1S/C22H29N5O6S/c1-22(2,32-3)15-6-4-5-13(9-15)16-11-19-24-8-7-18(27(19)26-16)25-17-10-14(20(28)21(17)29)12-33-34(23,30)31/h4-9,11,14,17,20-21,25,28-29H,10,12H2,1-3H3,(H2,23,30,31)/t14-,17-,20-,21+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
he UAE enzymatic reaction totals 50 μL and contains 50 mmol HEPES (pH 7.5), 0.05% BSA, 2.5 mM MgCl2, 0.1 uM ATP, 8 nM GST-Ubc-2, 35 nM flag-ubiq...


US Patent US9796725 (2017)


BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
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