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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ubiquitin-like modifier-activating enzyme 1' and Ligand = 'BDBM347108'   
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))
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
PDB
MMDB

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PC cid
PC sid
UniChem
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)

More data for this
Ligand-Target Pair