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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'SUMO-activating enzyme subunit 2 (SAE2)' and Ligand = 'BDBM329794'   
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 (SAE2)


(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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<10n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm0701019
BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair
SUMO-activating enzyme subunit 2 (SAE2)


(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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<10n/an/an/an/an/an/a



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)


Article DOI: 10.1021/jm0701019
BindingDB Entry DOI: 10.7270/Q23T9KC6
More data for this
Ligand-Target Pair