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PubMed code 18587388

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM50323697
PNG
((3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL...)
Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1
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Article
PubMed
21n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human O-GlcNAcase


Nat Chem Biol 4: 483-90 (2008)


Article DOI: 10.1038/nchembio.96
BindingDB Entry DOI: 10.7270/Q28C9WGB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM50323695
PNG
(2-((5R,6R,7R,8S)-8-acetamido-6,7-dihydroxy-5-(hydr...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)n2cc(CC(O)=O)nc12
Show InChI InChI=1S/C12H17N3O6/c1-5(17)13-9-11(21)10(20)7(4-16)15-3-6(2-8(18)19)14-12(9)15/h3,7,9-11,16,20-21H,2,4H2,1H3,(H,13,17)(H,18,19)/t7-,9-,10-,11-/m1/s1
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PubMed
420n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human O-GlcNAcase


Nat Chem Biol 4: 483-90 (2008)


Article DOI: 10.1038/nchembio.96
BindingDB Entry DOI: 10.7270/Q28C9WGB
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM50323696
PNG
((3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,...)
Show SMILES CCCC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C10H17NO4S/c1-2-3-6-11-7-9(14)8(13)5(4-12)15-10(7)16-6/h5,7-10,12-14H,2-4H2,1H3/t5-,7-,8-,9-,10-/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
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Article
PubMed
600n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of human O-GlcNAcase


Nat Chem Biol 4: 483-90 (2008)


Article DOI: 10.1038/nchembio.96
BindingDB Entry DOI: 10.7270/Q28C9WGB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%