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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 = 'BDBM329886'   
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))
BDBM329886
PNG
((rac)-((1R,2R,3S,4R)-4-(2-(5-ethylbenzo[b]thiophen...)
Show SMILES CCc1ccc2scc(-c3cc4nccc(N[C@@H]5C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]5O)n4n3)c2c1 |r|
Show InChI InChI=1S/C22H25N5O5S2/c1-2-12-3-4-18-14(7-12)15(11-33-18)16-9-20-24-6-5-19(27(20)26-16)25-17-8-13(21(28)22(17)29)10-32-34(23,30)31/h3-7,9,11,13,17,21-22,25,28-29H,2,8,10H2,1H3,(H2,23,30,31)/t13-,17-,21-,22+/m1/s1
PDB
MMDB

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PC cid
PC sid
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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)


BindingDB Entry DOI: 10.7270/Q2DN475J
More data for this
Ligand-Target Pair