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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ubiquitin-conjugating enzyme E2 E1' and Ligand = 'BDBM329859'   
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-conjugating enzyme E2 E1


(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
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 US9663525 (2017)


BindingDB Entry DOI: 10.7270/Q2HM5BJP
More data for this
Ligand-Target Pair