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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Ubiquitin activating enzyme (UAE)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 activating enzyme (UAE)


(Homo sapiens (Human))
BDBM92475
PNG
(Compound I)
Show SMILES NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc34)ncnc12
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-/m1/s1
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GoogleScholar
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PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 10.2n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.



Assay Description
Inhibition assay using ubiquitin.


J Biol Chem 286: 40867-77 (2011)

More data for this
Ligand-Target Pair
Ubiquitin activating enzyme (UAE)


(Homo sapiens (Human))
BDBM92475
PNG
(Compound I)
Show SMILES NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc34)ncnc12
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-/m1/s1
MMDB

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B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 90.8n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.



Assay Description
Inhibition assay using ubiquitin.


J Biol Chem 286: 40867-77 (2011)

More data for this
Ligand-Target Pair
Ubiquitin activating enzyme (UAE)


(Homo sapiens (Human))
BDBM92475
PNG
(Compound I)
Show SMILES NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCc4ccccc34)ncnc12
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-/m1/s1
MMDB

Reactome pathway

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.21E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.



Assay Description
Inhibition assay using ubiquitin.


J Biol Chem 286: 40867-77 (2011)

More data for this
Ligand-Target Pair