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Compile Data Set for Download or QSAR

Found 129 hits Enz. Inhib. hit(s) with Target = 'Ubiquitin-like modifier-activating enzyme 1'   
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 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM329808
PNG
((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(naphthale...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2ccc3ccccc3c2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C22H23N5O5S/c23-33(30,31)32-12-16-10-18(22(29)21(16)28)25-19-7-8-24-20-11-17(26-27(19)20)15-6-5-13-3-1-2-4-14(13)9-15/h1-9,11,16,18,21-22,25,28-29H,10,12H2,(H2,23,30,31)/t16-,18-,21-,22+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM329809
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)-c2cccc3cccnc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C21H22N6O5S/c22-33(30,31)32-11-13-9-16(21(29)20(13)28)25-17-6-8-23-18-10-15(26-27(17)18)14-5-1-3-12-4-2-7-24-19(12)14/h1-8,10,13,16,20-21,25,28-29H,9,11H2,(H2,22,30,31)/t13-,16-,20-,21+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM329810
PNG
((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(isoquinol...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cncc3ccccc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C21H22N6O5S/c22-33(30,31)32-11-13-7-17(21(29)20(13)28)25-18-5-6-24-19-8-16(26-27(18)19)15-10-23-9-12-3-1-2-4-14(12)15/h1-6,8-10,13,17,20-21,25,28-29H,7,11H2,(H2,22,30,31)/t13-,17-,20-,21+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM329811
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(dibenzo[b,d]furan-2-yl)...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2ccc3oc4ccccc4c3c2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C24H23N5O6S/c25-36(32,33)34-12-14-10-18(24(31)23(14)30)27-21-7-8-26-22-11-17(28-29(21)22)13-5-6-20-16(9-13)15-3-1-2-4-19(15)35-20/h1-9,11,14,18,23-24,27,30-31H,10,12H2,(H2,25,32,33)/t14-,18-,23-,24+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM329812
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(5-chloro-2-methoxypheny...)
Show SMILES COc1ccc(Cl)cc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1
Show InChI InChI=1S/C19H22ClN5O6S/c1-30-15-3-2-11(20)7-12(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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM329813
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(5-chloro-2-methylphenyl...)
Show SMILES Cc1ccc(Cl)cc1-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1
Show InChI InChI=1S/C19H22ClN5O5S/c1-10-2-3-12(20)7-13(10)14-8-17-22-5-4-16(25(17)24-14)23-15-6-11(18(26)19(15)27)9-30-31(21,28)29/h2-5,7-8,11,15,18-19,23,26-27H,6,9H2,1H3,(H2,21,28,29)/t11-,15-,18-,19+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM329814
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(benzo[b]thiophen-3-yl)p...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2csc3ccccc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H21N5O5S2/c21-32(28,29)30-9-11-7-15(20(27)19(11)26)23-17-5-6-22-18-8-14(24-25(17)18)13-10-31-16-4-2-1-3-12(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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM329816
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(1H-indol-2-yl)pyrazolo[...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cc3ccccc3[nH]2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H22N6O5S/c21-32(29,30)31-10-12-8-16(20(28)19(12)27)24-17-5-6-22-18-9-15(25-26(17)18)14-7-11-3-1-2-4-13(11)23-14/h1-7,9,12,16,19-20,23-24,27-28H,8,10H2,(H2,21,29,30)/t12-,16-,19-,20+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM329818
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(3,3-dimethyl-2,3-dihydr...)
Show SMILES CC1(C)COc2ccc(cc12)-c1cc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2n1
Show InChI InChI=1S/C22H27N5O6S/c1-22(2)11-32-17-4-3-12(7-14(17)22)15-9-19-24-6-5-18(27(19)26-15)25-16-8-13(20(28)21(16)29)10-33-34(23,30)31/h3-7,9,13,16,20-21,25,28-29H,8,10-11H2,1-2H3,(H2,23,30,31)/t13-,16-,20-,21+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM329819
PNG
((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(isoquinol...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc3cnccc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C21H22N6O5S/c22-33(30,31)32-11-13-8-17(21(29)20(13)28)25-18-5-7-24-19-9-16(26-27(18)19)15-3-1-2-12-10-23-6-4-14(12)15/h1-7,9-10,13,17,20-21,25,28-29H,8,11H2,(H2,22,30,31)/t13-,17-,20-,21+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM329820
PNG
((rac)-((1R,2R,3S,4R)-4-((2-(3-Bromophenyl)pyrazolo...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cccc(Br)c2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C18H20BrN5O5S/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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM329821
PNG
((rac)-((1R,2R,3S,4R)-4-((2-(2-Fluoro-5-(trifluorom...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cc(ccc2F)C(F)(F)F)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C19H19F4N5O5S/c20-12-2-1-10(19(21,22)23)6-11(12)13-7-16-25-4-3-15(28(16)27-13)26-14-5-9(17(29)18(14)30)8-33-34(24,31)32/h1-4,6-7,9,14,17-18,26,29-30H,5,8H2,(H2,24,31,32)/t9-,14-,17-,18+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM329822
PNG
((rac)-((1R,2R,3S,4R)-4-((2-(2-Chloro-5-(trifluorom...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2cc(ccc2Cl)C(F)(F)F)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C19H19ClF3N5O5S/c20-12-2-1-10(19(21,22)23)6-11(12)13-7-16-25-4-3-15(28(16)27-13)26-14-5-9(17(29)18(14)30)8-33-34(24,31)32/h1-4,6-7,9,14,17-18,26,29-30H,5,8H2,(H2,24,31,32)/t9-,14-,17-,18+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM329823
PNG
((rac)-[(1R,2R,3S,4R)-2,3-dihydroxy-4-{[2-(4-phenyl...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2nc(cs2)-c2ccccc2)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C21H22N6O5S2/c22-34(30,31)32-10-13-8-14(20(29)19(13)28)24-17-6-7-23-18-9-15(26-27(17)18)21-25-16(11-33-21)12-4-2-1-3-5-12/h1-7,9,11,13-14,19-20,24,28-29H,8,10H2,(H2,22,30,31)/t13-,14-,19-,20+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM329824
PNG
((rac)-[(1R,2R,3S,4R)-2,3-dihydroxy-4-{[2-(1H-indol...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2c[nH]c3ccccc23)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H22N6O5S/c21-32(29,30)31-10-11-7-16(20(28)19(11)27)24-17-5-6-22-18-8-15(25-26(17)18)13-9-23-14-4-2-1-3-12(13)14/h1-6,8-9,11,16,19-20,23-24,27-28H,7,10H2,(H2,21,29,30)/t11-,16-,19-,20+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM329825
PNG
((rac)-((1R,2R,3S,4R)-2,3-dihydroxy-4-(2-(5-(triflu...)
Show SMILES NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)-c2ccc(c3cccnc23)C(F)(F)F)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C22H21F3N6O5S/c23-22(24,25)14-4-3-13(19-12(14)2-1-6-28-19)15-9-18-27-7-5-17(31(18)30-15)29-16-8-11(20(32)21(16)33)10-36-37(26,34)35/h1-7,9,11,16,20-21,29,32-33H,8,10H2,(H2,26,34,35)/t11-,16-,20-,21+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(Homo sapiens (Human))
BDBM329826
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)-c2ccc3ncccc3c2)[C@H](O)[C@@H]1O
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)13-3-4-15-12(8-13)2-1-6-23-15/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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
Show InChI InChI=1S/C24H24N6O5S/c25-36(33,34)35-12-14-10-20(24(32)23(14)31)28-21-7-8-26-22-11-19(29-30(21)22)13-5-6-18-16(9-13)15-3-1-2-4-17(15)27-18/h1-9,11,14,20,23-24,27-28,31-32H,10,12H2,(H2,25,33,34)/t14-,20-,23-,24+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
Show InChI InChI=1S/C20H21ClN6O5S/c21-11-1-2-14-12(6-11)13(8-24-14)15-7-18-23-4-3-17(27(18)26-15)25-16-5-10(19(28)20(16)29)9-32-33(22,30)31/h1-4,6-8,10,16,19-20,24-25,28-29H,5,9H2,(H2,22,30,31)/t10-,16-,19-,20+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
Show InChI InChI=1S/C20H21ClN6O5S/c21-11-1-2-12-13(8-24-14(12)6-11)15-7-18-23-4-3-17(27(18)26-15)25-16-5-10(19(28)20(16)29)9-32-33(22,30)31/h1-4,6-8,10,16,19-20,24-25,28-29H,5,9H2,(H2,22,30,31)/t10-,16-,19-,20+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
Show InChI InChI=1S/C24H24N6O5S/c25-36(33,34)35-12-14-10-20(24(32)23(14)31)28-21-7-8-26-22-11-18(29-30(21)22)13-5-6-16-15-3-1-2-4-17(15)27-19(16)9-13/h1-9,11,14,20,23-24,27-28,31-32H,10,12H2,(H2,25,33,34)/t14-,20-,23-,24+/m1/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 1


(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
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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MMDB

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Article
US Patent
n/an/a<10n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The 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-ubi...


US Patent US10202389 (2019)


Article DOI: 10.1021/jm061107l
More data for this
Ligand-Target Pair
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