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Compile Data Set for Download or QSAR

Found 18 hits of ic50 data for polymerid = 50006337   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ubiquitin-like modifier-activating enzyme 6


(Homo sapiens (Human))
BDBM299240
PNG
(US9593121, I-03 | {(1S,2S,4R)-2-hydroxy-4-[4-(5-me...)
Show SMILES [CH2][C@H]1C[C@H](C[C@@H]1O)n1ccc2c(ncnc12)-c1cc2cc(OC)ccc2[nH]1 |^1:0|
Show InChI InChI=1S/C21H21N4O2/c1-12-7-14(10-19(12)26)25-6-5-16-20(22-11-23-21(16)25)18-9-13-8-15(27-2)3-4-17(13)24-18/h3-6,8-9,11-12,14,19,24,26H,1,7,10H2,2H3/t12-,14+,19-/m0/s1
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n/an/a<50n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The UBA6 enzmatic reaction totals 20 μL and contains 50 mM HEPES (pH 7.5), 0.05% BSA, 0.02% Tween 20, 0.1 mM TCEP, 5 mM MgCl2, 2 μM ATP, 60...


US Patent US9593121 (2017)


BindingDB Entry DOI: 10.7270/Q24F1SSJ
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 6


(Homo sapiens (Human))
BDBM299259
PNG
(US9593121, I-08 | {(1S,2S,4R)-2-hydroxy-4-[4-(1H-i...)
Show SMILES [CH2][C@H]1C[C@H](C[C@@H]1O)n1ccc2c(nc(C)nc12)-c1cc2ccccc2[nH]1 |^1:0|
Show InChI InChI=1S/C21H21N4O/c1-12-9-15(11-19(12)26)25-8-7-16-20(22-13(2)23-21(16)25)18-10-14-5-3-4-6-17(14)24-18/h3-8,10,12,15,19,24,26H,1,9,11H2,2H3/t12-,15+,19-/m0/s1
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n/an/a<50n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The UBA6 enzmatic reaction totals 20 μL and contains 50 mM HEPES (pH 7.5), 0.05% BSA, 0.02% Tween 20, 0.1 mM TCEP, 5 mM MgCl2, 2 μM ATP, 60...


US Patent US9593121 (2017)


BindingDB Entry DOI: 10.7270/Q24F1SSJ
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 6


(Homo sapiens (Human))
BDBM299243
PNG
(US9593121, I-06 | {(1S,2S,4R)-2-hydroxy-4-[4-(6-me...)
Show SMILES [CH2][C@H]1C[C@H](C[C@@H]1O)n1ccc2c(ncnc12)-c1cc2ccc(C)cc2[nH]1 |^1:0|
Show InChI InChI=1S/C21H21N4O/c1-12-3-4-14-9-18(24-17(14)7-12)20-16-5-6-25(21(16)23-11-22-20)15-8-13(2)19(26)10-15/h3-7,9,11,13,15,19,24,26H,2,8,10H2,1H3/t13-,15+,19-/m0/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The UBA6 enzmatic reaction totals 20 μL and contains 50 mM HEPES (pH 7.5), 0.05% BSA, 0.02% Tween 20, 0.1 mM TCEP, 5 mM MgCl2, 2 μM ATP, 60...


US Patent US9593121 (2017)


BindingDB Entry DOI: 10.7270/Q24F1SSJ
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 6


(Homo sapiens (Human))
BDBM299242
PNG
(US9593121, I-05 | {(1S,2S,4R)-4-[4-(6-cyano-1H-ind...)
Show SMILES [CH2][C@H]1C[C@H](C[C@@H]1O)n1ccc2c(ncnc12)-c1cc2ccc(cc2[nH]1)C#N |^1:0|
Show InChI InChI=1S/C21H18N5O/c1-12-6-15(9-19(12)27)26-5-4-16-20(23-11-24-21(16)26)18-8-14-3-2-13(10-22)7-17(14)25-18/h2-5,7-8,11-12,15,19,25,27H,1,6,9H2/t12-,15+,19-/m0/s1
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n/an/a<50n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The UBA6 enzmatic reaction totals 20 μL and contains 50 mM HEPES (pH 7.5), 0.05% BSA, 0.02% Tween 20, 0.1 mM TCEP, 5 mM MgCl2, 2 μM ATP, 60...


US Patent US9593121 (2017)


BindingDB Entry DOI: 10.7270/Q24F1SSJ
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 6


(Homo sapiens (Human))
BDBM299241
PNG
(US9593121, I-04 | {(1S,2S,4R)-4-[4-(6-chloro-1H-in...)
Show SMILES [CH2][C@H]1C[C@H](C[C@@H]1O)n1ccc2c(ncnc12)-c1cc2ccc(Cl)cc2[nH]1 |^1:0|
Show InChI InChI=1S/C20H18ClN4O/c1-11-6-14(9-18(11)26)25-5-4-15-19(22-10-23-20(15)25)17-7-12-2-3-13(21)8-16(12)24-17/h2-5,7-8,10-11,14,18,24,26H,1,6,9H2/t11-,14+,18-/m0/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The UBA6 enzmatic reaction totals 20 μL and contains 50 mM HEPES (pH 7.5), 0.05% BSA, 0.02% Tween 20, 0.1 mM TCEP, 5 mM MgCl2, 2 μM ATP, 60...


US Patent US9593121 (2017)


BindingDB Entry DOI: 10.7270/Q24F1SSJ
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 6


(Homo sapiens (Human))
BDBM299236
PNG
(((1S,2S,4R)-4-(4-(1H-indol-2-yl)-7H-pyrrolo[2,3- d...)
Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n1ccc2c(ncnc12)-c1cc2ccccc2[nH]1
Show InChI InChI=1S/C20H21N5O4S/c21-30(27,28)29-10-13-7-14(9-18(13)26)25-6-5-15-19(22-11-23-20(15)25)17-8-12-3-1-2-4-16(12)24-17/h1-6,8,11,13-14,18,24,26H,7,9-10H2,(H2,21,27,28)/t13-,14+,18-/m0/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The UBA6 enzmatic reaction totals 20 μL and contains 50 mM HEPES (pH 7.5), 0.05% BSA, 0.02% Tween 20, 0.1 mM TCEP, 5 mM MgCl2, 2 μM ATP, 60...


US Patent US9593121 (2017)


BindingDB Entry DOI: 10.7270/Q24F1SSJ
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 6


(Homo sapiens (Human))
BDBM299257
PNG
(US9593121, I-07 | {(1S,2S,4R)-2-hydroxy-4-[4-(6-me...)
Show SMILES [CH2][C@H]1C[C@H](C[C@@H]1O)n1ccc2c(ncnc12)-c1cc2ccc(OC)cc2[nH]1 |^1:0|
Show InChI InChI=1S/C21H21N4O2/c1-12-7-14(9-19(12)26)25-6-5-16-20(22-11-23-21(16)25)18-8-13-3-4-15(27-2)10-17(13)24-18/h3-6,8,10-12,14,19,24,26H,1,7,9H2,2H3/t12-,14+,19-/m0/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The UBA6 enzmatic reaction totals 20 μL and contains 50 mM HEPES (pH 7.5), 0.05% BSA, 0.02% Tween 20, 0.1 mM TCEP, 5 mM MgCl2, 2 μM ATP, 60...


US Patent US9593121 (2017)


BindingDB Entry DOI: 10.7270/Q24F1SSJ
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 6


(Homo sapiens (Human))
BDBM50427035
PNG
(CHEMBL2017005)
Show SMILES NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3CCc4ccccc34)ncnc12 |r|
Show InChI InChI=1S/C19H22N6O6S/c20-32(28,29)30-7-13-15(26)16(27)19(31-13)25-9-23-14-17(21-8-22-18(14)25)24-12-6-5-10-3-1-2-4-11(10)12/h1-4,8-9,12-13,15-16,19,26-27H,5-7H2,(H2,20,28,29)(H,21,22,24)/t12-,13+,15+,16+,19+/m0/s1
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Article
PubMed
n/an/a 920n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of UBA6 (unknown origin) in presence of ATP


J Med Chem 56: 2165-77 (2013)


Article DOI: 10.1021/jm301420b
BindingDB Entry DOI: 10.7270/Q29P32ZT
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 6


(Homo sapiens (Human))
BDBM50285607
PNG
(MLN-4924 | MLN-4924003 | Pevonedistat)
Show SMILES [H][C@]1(O)C[C@@]([H])(C[C@@]1([H])COS(N)(=O)=O)n1ccc2c(N[C@@]3([H])CCc4ccccc34)ncnc12 |r|
Show InChI InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of UBA6 (unknown origin) assessed as decrease in formation of E2-UBL thioester reaction product


J Med Chem 61: 3239-3252 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01817
BindingDB Entry DOI: 10.7270/Q2542R5N
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 6


(Homo sapiens (Human))
BDBM299322
PNG
(US9593121, I-14 | [(1S,2S,4R)-2-hydroxy-4-{4-[6-(t...)
Show SMILES [CH2][C@H]1C[C@H](C[C@@H]1O)n1ccc2c(ncnc12)-c1cc2ccc(cc2[nH]1)C(F)(F)F |^1:0|
Show InChI InChI=1S/C21H18F3N4O/c1-11-6-14(9-18(11)29)28-5-4-15-19(25-10-26-20(15)28)17-7-12-2-3-13(21(22,23)24)8-16(12)27-17/h2-5,7-8,10-11,14,18,27,29H,1,6,9H2/t11-,14+,18-/m0/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The UBA6 enzmatic reaction totals 20 μL and contains 50 mM HEPES (pH 7.5), 0.05% BSA, 0.02% Tween 20, 0.1 mM TCEP, 5 mM MgCl2, 2 μM ATP, 60...


US Patent US9593121 (2017)


BindingDB Entry DOI: 10.7270/Q24F1SSJ
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 6


(Homo sapiens (Human))
BDBM299284
PNG
(US9593121, I-13 | {(1S,2S,4R)-2-hydroxy-4-[4-(3-me...)
Show SMILES [CH2][C@H]1C[C@H](C[C@@H]1O)n1ccc2c(ncnc12)-c1[nH]c2ccccc2c1C |^1:0|
Show InChI InChI=1S/C21H21N4O/c1-12-9-14(10-18(12)26)25-8-7-16-20(22-11-23-21(16)25)19-13(2)15-5-3-4-6-17(15)24-19/h3-8,11-12,14,18,24,26H,1,9-10H2,2H3/t12-,14+,18-/m0/s1
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n/an/a 1.03E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The UBA6 enzmatic reaction totals 20 μL and contains 50 mM HEPES (pH 7.5), 0.05% BSA, 0.02% Tween 20, 0.1 mM TCEP, 5 mM MgCl2, 2 μM ATP, 60...


US Patent US9593121 (2017)


BindingDB Entry DOI: 10.7270/Q24F1SSJ
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 6


(Homo sapiens (Human))
BDBM299282
PNG
(US9593121, I-12 | {(1S,2S,4R)-2-hydroxy-4-[4-(7-me...)
Show SMILES [CH2][C@H]1C[C@H](C[C@@H]1O)n1ccc2c(ncnc12)-c1cc2cccc(OC)c2[nH]1 |^1:0|
Show InChI InChI=1S/C21H21N4O2/c1-12-8-14(10-17(12)26)25-7-6-15-20(22-11-23-21(15)25)16-9-13-4-3-5-18(27-2)19(13)24-16/h3-7,9,11-12,14,17,24,26H,1,8,10H2,2H3/t12-,14+,17-/m0/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The UBA6 enzmatic reaction totals 20 μL and contains 50 mM HEPES (pH 7.5), 0.05% BSA, 0.02% Tween 20, 0.1 mM TCEP, 5 mM MgCl2, 2 μM ATP, 60...


US Patent US9593121 (2017)


BindingDB Entry DOI: 10.7270/Q24F1SSJ
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 6


(Homo sapiens (Human))
BDBM299276
PNG
(US9593121, I-11 | {(1S,2S,4R)-4-[4-(5-fluoro-1H-in...)
Show SMILES [CH2][C@H]1C[C@H](C[C@@H]1O)n1ccc2c(ncnc12)-c1cc2cc(F)ccc2[nH]1 |^1:0|
Show InChI InChI=1S/C20H18FN4O/c1-11-6-14(9-18(11)26)25-5-4-15-19(22-10-23-20(15)25)17-8-12-7-13(21)2-3-16(12)24-17/h2-5,7-8,10-11,14,18,24,26H,1,6,9H2/t11-,14+,18-/m0/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The UBA6 enzmatic reaction totals 20 μL and contains 50 mM HEPES (pH 7.5), 0.05% BSA, 0.02% Tween 20, 0.1 mM TCEP, 5 mM MgCl2, 2 μM ATP, 60...


US Patent US9593121 (2017)


BindingDB Entry DOI: 10.7270/Q24F1SSJ
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 6


(Homo sapiens (Human))
BDBM299265
PNG
(US9593121, I-10 | tert-butyl 2-(7-{(1R,3S,4S)-3-hy...)
Show SMILES COc1ccc2cc(-c3ncnc4n(ccc34)[C@H]3C[C@H](O)[C@H](COS(N)(=O)=O)C3)n(C(=O)OC(C)(C)C)c2c1
Show InChI InChI=1S/C26H31N5O7S/c1-26(2,3)38-25(33)31-20-12-18(36-4)6-5-15(20)10-21(31)23-19-7-8-30(24(19)29-14-28-23)17-9-16(22(32)11-17)13-37-39(27,34)35/h5-8,10,12,14,16-17,22,32H,9,11,13H2,1-4H3,(H2,27,34,35)/t16-,17+,22-/m0/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The UBA6 enzmatic reaction totals 20 μL and contains 50 mM HEPES (pH 7.5), 0.05% BSA, 0.02% Tween 20, 0.1 mM TCEP, 5 mM MgCl2, 2 μM ATP, 60...


US Patent US9593121 (2017)


BindingDB Entry DOI: 10.7270/Q24F1SSJ
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 6


(Homo sapiens (Human))
BDBM299263
PNG
(US9593121, I-09 | {(1S,2S,4R)-4-[4-(6-chloro-5-flu...)
Show SMILES [CH2][C@H]1C[C@H](C[C@@H]1O)n1ccc2c(ncnc12)-c1cc2cc(F)c(Cl)cc2[nH]1 |^1:0|
Show InChI InChI=1S/C20H17ClFN4O/c1-10-4-12(7-18(10)27)26-3-2-13-19(23-9-24-20(13)26)17-6-11-5-15(22)14(21)8-16(11)25-17/h2-3,5-6,8-10,12,18,25,27H,1,4,7H2/t10-,12+,18-/m0/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The UBA6 enzmatic reaction totals 20 μL and contains 50 mM HEPES (pH 7.5), 0.05% BSA, 0.02% Tween 20, 0.1 mM TCEP, 5 mM MgCl2, 2 μM ATP, 60...


US Patent US9593121 (2017)


BindingDB Entry DOI: 10.7270/Q24F1SSJ
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 6


(Homo sapiens (Human))
BDBM299237
PNG
(US9593121, I-02 | {(1S,2S,4R)-2-hydroxy-4-[4-(1-me...)
Show SMILES [CH2][C@H]1C[C@H](C[C@@H]1O)n1ccc2c(ncnc12)-c1cc2ccccc2n1C |^1:0|
Show InChI InChI=1S/C21H21N4O/c1-13-9-15(11-19(13)26)25-8-7-16-20(22-12-23-21(16)25)18-10-14-5-3-4-6-17(14)24(18)2/h3-8,10,12-13,15,19,26H,1,9,11H2,2H3/t13-,15+,19-/m0/s1
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Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
The UBA6 enzmatic reaction totals 20 μL and contains 50 mM HEPES (pH 7.5), 0.05% BSA, 0.02% Tween 20, 0.1 mM TCEP, 5 mM MgCl2, 2 μM ATP, 60...


US Patent US9593121 (2017)


BindingDB Entry DOI: 10.7270/Q24F1SSJ
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 6


(Homo sapiens (Human))
BDBM50285607
PNG
(MLN-4924 | MLN-4924003 | Pevonedistat)
Show SMILES [H][C@]1(O)C[C@@]([H])(C[C@@]1([H])COS(N)(=O)=O)n1ccc2c(N[C@@]3([H])CCc4ccccc34)ncnc12 |r|
Show InChI InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114156
BindingDB Entry DOI: 10.7270/Q21C21WJ
More data for this
Ligand-Target Pair
Ubiquitin-like modifier-activating enzyme 6


(Homo sapiens (Human))
BDBM50427034
PNG
(CHEMBL2322194)
Show SMILES NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)N1CCc2c1ncnc2N[C@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C21H27N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,12,14-15,18-19,27H,5-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition of UBA6 (unknown origin)


J Med Chem 56: 2165-77 (2013)


Article DOI: 10.1021/jm301420b
BindingDB Entry DOI: 10.7270/Q29P32ZT
More data for this
Ligand-Target Pair