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Compile Data Set for Download or QSAR

Found 748 hits Enz. Inhib. hit(s) with Target = 'Protein O-GlcNAcase'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM50513934
PNG
(CHEMBL4443587)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](C(F)F)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C8H12F2N2O3S/c1-11-8-12-2-3(13)4(14)5(6(9)10)15-7(2)16-8/h2-7,13-14H,1H3,(H,11,12)/t2-,3-,4+,5+,7-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC sid
UniChem
Article
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n/an/an/an/a 1.70n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM77064
PNG
(US9695197, 4)
Show SMILES CNC1=N[C@H]2[C@@H](S1)S[C@H](CO)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C8H14N2O3S2/c1-9-8-10-4-6(13)5(12)3(2-11)14-7(4)15-8/h3-7,11-13H,2H2,1H3,(H,9,10)/t3-,4-,5-,6-,7-/m1/s1
PDB

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n/an/an/an/a 3n/an/an/a4



Alectos Therapeutics Inc

US Patent


Assay Description
The ELISA portion of the assay is performed in a black Maxisorp 96-well plate that is coated overnight at 4° C. with 100 uL/well of the cell lysa...


US Patent US9695197 (2017)


BindingDB Entry DOI: 10.7270/Q247481J
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM193650
PNG
(US9199949, 8)
Show SMILES CNC1=N[C@H]2[C@H](C[C@H](C(F)F)[C@@H](O)[C@@H]2O)O1
Show InChI InChI=1S/C9H14F2N2O3/c1-12-9-13-5-4(16-9)2-3(8(10)11)6(14)7(5)15/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5-,6+,7+/m0/s1
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n/an/an/an/a 4.70n/an/an/a4



Alectos Therapeutics Inc

US Patent


Assay Description
The ELISA portion of the assay was performed in a black Maxisorp 96-well plate that was coated overnight at 4 C. with 100 μL/well of the cell l...


US Patent US9199949 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NR8
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM193649
PNG
(US9199949, 6)
Show SMILES O[C@@H]1[C@H]2N=C(O[C@H]2C[C@H](C(F)F)[C@H]1O)N1CCC1
Show InChI InChI=1S/C11H16F2N2O3/c12-10(13)5-4-6-7(9(17)8(5)16)14-11(18-6)15-2-1-3-15/h5-10,16-17H,1-4H2/t5-,6-,7-,8+,9+/m0/s1
PDB

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n/an/an/an/a 5.10n/an/an/a4



Alectos Therapeutics Inc

US Patent


Assay Description
The ELISA portion of the assay was performed in a black Maxisorp 96-well plate that was coated overnight at 4 C. with 100 μL/well of the cell l...


US Patent US9199949 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NR8
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM193648
PNG
(US9199949, 4)
Show SMILES O[C@@H]1[C@H]2N=C(O[C@H]2C[C@H](CF)[C@H]1O)N1CCC1
Show InChI InChI=1S/C11H17FN2O3/c12-5-6-4-7-8(10(16)9(6)15)13-11(17-7)14-2-1-3-14/h6-10,15-16H,1-5H2/t6-,7+,8+,9-,10-/m1/s1
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n/an/an/an/a 5.20n/an/an/a4



Alectos Therapeutics Inc

US Patent


Assay Description
The ELISA portion of the assay was performed in a black Maxisorp 96-well plate that was coated overnight at 4 C. with 100 μL/well of the cell l...


US Patent US9199949 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NR8
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM240657
PNG
(US9409924, 34)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H]([C@H](C)O)[C@@H](O)[C@H]2F)S1
Show InChI InChI=1S/C9H15FN2O3S/c1-3(13)7-6(14)4(10)5-8(15-7)16-9(11-2)12-5/h3-8,13-14H,1-2H3,(H,11,12)/t3-,4-,5+,6-,7+,8+/m0/s1
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n/an/an/an/a 5.20n/an/an/an/a



Alectos Therapeutics Inc

US Patent


Assay Description
Inhibition of O-GlcNAcase, which removes O-GlcNAc from cellular proteins, results in an increase in the level of O-GlcNAcylated protein in cells. An ...


US Patent US9409924 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G90
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM205425
PNG
(US9243020, 20 | US9815861, Example 20)
Show SMILES CN(C)C1=N[C@H]2[C@H](O[C@H](C(F)F)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C9H14F2N2O3S/c1-13(2)9-12-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,1-2H3/t3-,4-,5+,6+,8-/m1/s1
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n/an/an/an/a 6n/an/an/a4



Alectos Therapeutics Inc

US Patent


Assay Description
The ELISA portion of the assay was performed in a black Maxisorp 96-well plate that was coated overnight at 4° C. with 100 uL/well of the cell ly...


US Patent US9243020 (2016)


BindingDB Entry DOI: 10.7270/Q2542MD4
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM193647
PNG
(US9199949, 2)
Show SMILES CNC1=N[C@H]2[C@H](C[C@H](CF)[C@@H](O)[C@@H]2O)O1
Show InChI InChI=1S/C9H15FN2O3/c1-11-9-12-6-5(15-9)2-4(3-10)7(13)8(6)14/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5+,6+,7-,8-/m1/s1
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n/an/an/an/a 8.80n/an/an/a4



Alectos Therapeutics Inc

US Patent


Assay Description
The ELISA portion of the assay was performed in a black Maxisorp 96-well plate that was coated overnight at 4 C. with 100 μL/well of the cell l...


US Patent US9199949 (2015)


BindingDB Entry DOI: 10.7270/Q28S4NR8
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM240659
PNG
(US9409924, 38)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H]([C@@H](O)C(F)(F)F)[C@@H](O)[C@H]2F)S1
Show InChI InChI=1S/C9H12F4N2O3S/c1-14-8-15-3-2(10)4(16)5(18-7(3)19-8)6(17)9(11,12)13/h2-7,16-17H,1H3,(H,14,15)/t2-,3+,4-,5-,6+,7+/m0/s1
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n/an/an/an/a 9.10n/an/an/an/a



Alectos Therapeutics Inc

US Patent


Assay Description
Inhibition of O-GlcNAcase, which removes O-GlcNAc from cellular proteins, results in an increase in the level of O-GlcNAcylated protein in cells. An ...


US Patent US9409924 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G90
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM240645
PNG
(US9409924, (3aR,5R,6R,7S,7aR)-2-(dimethylamino)-7-...)
Show SMILES CN(C)C1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@H]2F)S1
Show InChI InChI=1S/C9H15FN2O3S/c1-12(2)9-11-6-5(10)7(14)4(3-13)15-8(6)16-9/h4-8,13-14H,3H2,1-2H3/t4-,5+,6-,7-,8-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Alectos Therapeutics Inc

US Patent


Assay Description
Inhibition of O-GlcNAcase, which removes O-GlcNAc from cellular proteins, results in an increase in the level of O-GlcNAcylated protein in cells. An ...


US Patent US9409924 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G90
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM205418
PNG
(US9243020, (3aR,5R,6S,7R,7aR)-2-(ethylamino)-5-(hy...)
Show SMILES CN(C)C1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C9H16N2O4S/c1-11(2)9-10-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,3H2,1-2H3/t4-,5-,6-,7-,8-/m1/s1
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n/an/an/an/a 10n/an/an/a4



Alectos Therapeutics Inc

US Patent


Assay Description
The ELISA portion of the assay was performed in a black Maxisorp 96-well plate that was coated overnight at 4° C. with 100 uL/well of the cell ly...


US Patent US9243020 (2016)


BindingDB Entry DOI: 10.7270/Q2542MD4
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM50513931
PNG
(CHEMBL4444446)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@H]2F)S1
Show InChI InChI=1S/C8H13FN2O3S/c1-10-8-11-5-4(9)6(13)3(2-12)14-7(5)15-8/h3-7,12-13H,2H2,1H3,(H,10,11)/t3-,4+,5-,6-,7-/m1/s1
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n/an/an/an/a 11n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM240644
PNG
(US9409924, (3aR,5R,6R,7S,7aR)-2-(ethylamino)-7-flu...)
Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@H]2F)S1
Show InChI InChI=1S/C9H15FN2O3S/c1-2-11-9-12-6-5(10)7(14)4(3-13)15-8(6)16-9/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5+,6-,7-,8-/m1/s1
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n/an/an/an/a 13n/an/an/an/a



Alectos Therapeutics Inc

US Patent


Assay Description
Inhibition of O-GlcNAcase, which removes O-GlcNAc from cellular proteins, results in an increase in the level of O-GlcNAcylated protein in cells. An ...


US Patent US9409924 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G90
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM240646
PNG
(US9409924, 1)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H]([C@H](C)O)[C@@H](O)[C@@H]2F)S1
Show InChI InChI=1S/C9H15FN2O3S/c1-3(13)7-6(14)4(10)5-8(15-7)16-9(11-2)12-5/h3-8,13-14H,1-2H3,(H,11,12)/t3-,4+,5+,6-,7+,8+/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Alectos Therapeutics Inc

US Patent


Assay Description
Inhibition of O-GlcNAcase, which removes O-GlcNAc from cellular proteins, results in an increase in the level of O-GlcNAcylated protein in cells. An ...


US Patent US9409924 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G90
More data for this
Ligand-Target Pair
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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n/an/an/an/a 13n/an/an/a4



Alectos Therapeutics Inc

US Patent


Assay Description
The ELISA portion of the assay is performed in a black Maxisorp 96-well plate that is coated overnight at 4° C. with 100 uL/well of the cell lysa...


US Patent US9695197 (2017)


BindingDB Entry DOI: 10.7270/Q247481J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/an/an/a 13n/an/an/a4



Alectos Therapeutics Inc

US Patent


Assay Description
The ELISA portion of the assay was performed in a black Maxisorp 96-well plate that was coated overnight at 4° C. with 100 uL/well of the cell ly...


US Patent US9243020 (2016)


BindingDB Entry DOI: 10.7270/Q2542MD4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein O-GlcNAcase


(Rattus norvegicus)
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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n/an/an/an/a 14n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/an/an/a 21n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA (unknown origin) by cell based assay


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM50513947
PNG
(CHEMBL4545886)
Show SMILES OC[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N1CCC1
Show InChI InChI=1S/C10H16N2O4S/c13-4-5-7(14)8(15)6-9(16-5)17-10(11-6)12-2-1-3-12/h5-9,13-15H,1-4H2/t5-,6-,7-,8-,9-/m1/s1
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n/an/an/an/a 28n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM77047
PNG
(US9695197, 3)
Show SMILES CCCNC1=N[C@H]2[C@@H](S1)S[C@H](CO)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C10H18N2O3S2/c1-2-3-11-10-12-6-8(15)7(14)5(4-13)16-9(6)17-10/h5-9,13-15H,2-4H2,1H3,(H,11,12)/t5-,6-,7-,8-,9-/m1/s1
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n/an/an/an/a 29n/an/an/a4



Alectos Therapeutics Inc

US Patent


Assay Description
The ELISA portion of the assay is performed in a black Maxisorp 96-well plate that is coated overnight at 4° C. with 100 uL/well of the cell lysa...


US Patent US9695197 (2017)


BindingDB Entry DOI: 10.7270/Q247481J
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
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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n/an/an/an/a 30n/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of O-GlcNAcase in rat PC12 cells assessed as induction of OGlcNAcylation after 24 hrs by Western blot method


J Med Chem 61: 3239-3252 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01817
BindingDB Entry DOI: 10.7270/Q2542R5N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM205425
PNG
(US9243020, 20 | US9815861, Example 20)
Show SMILES CN(C)C1=N[C@H]2[C@H](O[C@H](C(F)F)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C9H14F2N2O3S/c1-13(2)9-12-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,1-2H3/t3-,4-,5+,6+,8-/m1/s1
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n/an/an/an/a 31n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM50513939
PNG
(CHEMBL4516713)
Show SMILES CNC1=N[C@@H]2C[C@H](O)[C@@H](CO)O[C@@H]2S1
Show InChI InChI=1S/C8H14N2O3S/c1-9-8-10-4-2-5(12)6(3-11)13-7(4)14-8/h4-7,11-12H,2-3H2,1H3,(H,9,10)/t4-,5+,6-,7-/m1/s1
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n/an/an/an/a 33n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM205423
PNG
(US9243020, 17 | US9815861, Example 17)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CF)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C8H13FN2O3S/c1-10-8-11-4-6(13)5(12)3(2-9)14-7(4)15-8/h3-7,12-13H,2H2,1H3,(H,10,11)/t3-,4-,5-,6-,7-/m1/s1
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n/an/an/an/a 34n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM205423
PNG
(US9243020, 17 | US9815861, Example 17)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CF)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C8H13FN2O3S/c1-10-8-11-4-6(13)5(12)3(2-9)14-7(4)15-8/h3-7,12-13H,2H2,1H3,(H,10,11)/t3-,4-,5-,6-,7-/m1/s1
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n/an/an/an/a 34n/an/an/a4



Alectos Therapeutics Inc

US Patent


Assay Description
The ELISA portion of the assay was performed in a black Maxisorp 96-well plate that was coated overnight at 4° C. with 100 uL/well of the cell ly...


US Patent US9243020 (2016)


BindingDB Entry DOI: 10.7270/Q2542MD4
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM50513955
PNG
(CHEMBL4483089)
Show SMILES CCN(C)C1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C10H18N2O4S/c1-3-12(2)10-11-6-8(15)7(14)5(4-13)16-9(6)17-10/h5-9,13-15H,3-4H2,1-2H3/t5-,6-,7-,8-,9-/m1/s1
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n/an/an/an/a 37n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM50513960
PNG
(CHEMBL4561925)
Show SMILES CCCNC1=N[C@H]2[C@H](O[C@H](C(F)F)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C10H16F2N2O3S/c1-2-3-13-10-14-4-5(15)6(16)7(8(11)12)17-9(4)18-10/h4-9,15-16H,2-3H2,1H3,(H,13,14)/t4-,5-,6+,7+,9-/m1/s1
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n/an/an/an/a 41n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM240654
PNG
(US9409924, 20)
Show SMILES CNC1=N[C@@H]2C[C@H](O)[C@H](O[C@@H]2S1)[C@@H](O)C(F)(F)F
Show InChI InChI=1S/C9H13F3N2O3S/c1-13-8-14-3-2-4(15)5(17-7(3)18-8)6(16)9(10,11)12/h3-7,15-16H,2H2,1H3,(H,13,14)/t3-,4+,5+,6-,7-/m1/s1
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n/an/an/an/a 50n/an/an/an/a



Alectos Therapeutics Inc

US Patent


Assay Description
Inhibition of O-GlcNAcase, which removes O-GlcNAc from cellular proteins, results in an increase in the level of O-GlcNAcylated protein in cells. An ...


US Patent US9409924 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G90
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM205424
PNG
(US9243020, 19 | US9815861, Example 19)
Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](C(F)F)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C9H14F2N2O3S/c1-2-12-9-13-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5+,6+,8-/m1/s1
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n/an/an/an/a 53n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM205424
PNG
(US9243020, 19 | US9815861, Example 19)
Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](C(F)F)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C9H14F2N2O3S/c1-2-12-9-13-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5+,6+,8-/m1/s1
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n/an/an/an/a 53n/an/an/a4



Alectos Therapeutics Inc

US Patent


Assay Description
The ELISA portion of the assay was performed in a black Maxisorp 96-well plate that was coated overnight at 4° C. with 100 uL/well of the cell ly...


US Patent US9243020 (2016)


BindingDB Entry DOI: 10.7270/Q2542MD4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM205428
PNG
(US9243020, 33 | US9815861, Example 33)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](C(F)F)[C@@H](O)[C@H]2F)S1
Show InChI InChI=1S/C8H11F3N2O2S/c1-12-8-13-3-2(9)4(14)5(6(10)11)15-7(3)16-8/h2-7,14H,1H3,(H,12,13)/t2-,3+,4-,5-,7+/m0/s1
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n/an/an/an/a 58n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM240650
PNG
(US9409924, 9)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H]([C@@H](O)C(F)(F)F)[C@@H](O)[C@@H]2F)S1
Show InChI InChI=1S/C9H12F4N2O3S/c1-14-8-15-3-2(10)4(16)5(18-7(3)19-8)6(17)9(11,12)13/h2-7,16-17H,1H3,(H,14,15)/t2-,3-,4+,5+,6-,7-/m1/s1
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n/an/an/an/a 74n/an/an/an/a



Alectos Therapeutics Inc

US Patent


Assay Description
Inhibition of O-GlcNAcase, which removes O-GlcNAc from cellular proteins, results in an increase in the level of O-GlcNAcylated protein in cells. An ...


US Patent US9409924 (2016)


BindingDB Entry DOI: 10.7270/Q26H4G90
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM50513940
PNG
(CHEMBL4586062)
Show SMILES CCCNC1=N[C@H]2[C@H](O[C@H](CF)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C10H17FN2O3S/c1-2-3-12-10-13-6-8(15)7(14)5(4-11)16-9(6)17-10/h5-9,14-15H,2-4H2,1H3,(H,12,13)/t5-,6-,7-,8-,9-/m1/s1
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n/an/an/an/a 119n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM70885
PNG
(US9695197, 2)
Show SMILES CCNC1=N[C@H]2[C@@H](S1)S[C@H](CO)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C9H16N2O3S2/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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n/an/an/an/a 139n/an/an/a4



Alectos Therapeutics Inc

US Patent


Assay Description
The ELISA portion of the assay is performed in a black Maxisorp 96-well plate that is coated overnight at 4° C. with 100 uL/well of the cell lysa...


US Patent US9695197 (2017)


BindingDB Entry DOI: 10.7270/Q247481J
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM141965
PNG
(US8927507, 16)
Show SMILES CN(CC=C)C1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C11H18N2O4S/c1-3-4-13(2)11-12-7-9(16)8(15)6(5-14)17-10(7)18-11/h3,6-10,14-16H,1,4-5H2,2H3/t6-,7-,8-,9-,10-/m1/s1
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n/an/an/an/a 152n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM142083
PNG
(US8933040, 7)
Show SMILES OC[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N1CCCC1
Show InChI InChI=1S/C11H18N2O4S/c14-5-6-8(15)9(16)7-10(17-6)18-11(12-7)13-3-1-2-4-13/h6-10,14-16H,1-5H2/t6-,7-,8-,9-,10-/m1/s1
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n/an/an/an/a 165n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM50513930
PNG
(CHEMBL4543991)
Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](CF)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C9H15FN2O3S/c1-2-11-9-12-5-7(14)6(13)4(3-10)15-8(5)16-9/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5-,6-,7-,8-/m1/s1
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n/an/an/an/a 176n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM50513958
PNG
(CHEMBL4473252)
Show SMILES CN(C)C1=N[C@H]2[C@H](O[C@H](CF)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C9H15FN2O3S/c1-12(2)9-11-5-7(14)6(13)4(3-10)15-8(5)16-9/h4-8,13-14H,3H2,1-2H3/t4-,5-,6-,7-,8-/m1/s1
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n/an/an/an/a 177n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM50041556
PNG
(CHEMBL3358418)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)c2cccc(C)c2)s1
Show InChI InChI=1S/C18H23N3OS/c1-13-4-3-5-16(10-13)15-6-8-21(9-7-15)12-17-11-19-18(23-17)20-14(2)22/h3-5,10-11,15H,6-9,12H2,1-2H3,(H,19,20,22)
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n/an/an/an/a<200n/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat B35 cells after 16 hrs


ACS Med Chem Lett 5: 1270-1 (2014)


Article DOI: 10.1021/ml500450c
BindingDB Entry DOI: 10.7270/Q2TT4SK0
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM50041554
PNG
(CHEMBL3358417)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)c2ccccc2)s1
Show InChI InChI=1S/C17H21N3OS/c1-13(21)19-17-18-11-16(22-17)12-20-9-7-15(8-10-20)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19,21)
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n/an/an/an/a 200n/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat B35 cells after 16 hrs


ACS Med Chem Lett 5: 1270-1 (2014)


Article DOI: 10.1021/ml500450c
BindingDB Entry DOI: 10.7270/Q2TT4SK0
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM50513950
PNG
(CHEMBL4454814)
Show SMILES CCCNC1=N[C@@H]2C[C@H](O)[C@@H](CO)O[C@@H]2S1
Show InChI InChI=1S/C10H18N2O3S/c1-2-3-11-10-12-6-4-7(14)8(5-13)15-9(6)16-10/h6-9,13-14H,2-5H2,1H3,(H,11,12)/t6-,7+,8-,9-/m1/s1
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n/an/an/an/a 224n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM205422
PNG
(US9243020, 9 | US9815861, Example 9)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2F)S1
Show InChI InChI=1S/C8H13FN2O3S/c1-10-8-11-5-4(9)6(13)3(2-12)14-7(5)15-8/h3-7,12-13H,2H2,1H3,(H,10,11)/t3-,4-,5-,6-,7-/m1/s1
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n/an/an/an/a 307n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM205422
PNG
(US9243020, 9 | US9815861, Example 9)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2F)S1
Show InChI InChI=1S/C8H13FN2O3S/c1-10-8-11-5-4(9)6(13)3(2-12)14-7(5)15-8/h3-7,12-13H,2H2,1H3,(H,10,11)/t3-,4-,5-,6-,7-/m1/s1
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n/an/an/an/a 307n/an/an/a4



Alectos Therapeutics Inc

US Patent


Assay Description
The ELISA portion of the assay was performed in a black Maxisorp 96-well plate that was coated overnight at 4° C. with 100 uL/well of the cell ly...


US Patent US9243020 (2016)


BindingDB Entry DOI: 10.7270/Q2542MD4
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM50513949
PNG
(CHEMBL4476839)
Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CF)[C@@H](O)[C@H]2F)S1
Show InChI InChI=1S/C8H12F2N2O2S/c1-11-8-12-5-4(10)6(13)3(2-9)14-7(5)15-8/h3-7,13H,2H2,1H3,(H,11,12)/t3-,4+,5-,6-,7-/m1/s1
PDB

UniProtKB/SwissProt

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UniChem
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n/an/an/an/a 328n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM77863
PNG
(US9695197, 5)
Show SMILES CCNC1=N[C@H]2[C@@H](S1)S[C@H](C(F)F)[C@@H](O)[C@@H]2O
Show InChI InChI=1S/C9H14F2N2O2S2/c1-2-12-9-13-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5+,6+,8-/m1/s1
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antibodypedia
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US Patent
n/an/an/an/a 349n/an/an/a4



Alectos Therapeutics Inc

US Patent


Assay Description
The ELISA portion of the assay is performed in a black Maxisorp 96-well plate that is coated overnight at 4° C. with 100 uL/well of the cell lysa...


US Patent US9695197 (2017)


BindingDB Entry DOI: 10.7270/Q247481J
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM205421
PNG
(US9243020, 4 | US9815861, Example 4)
Show SMILES CN(C)C1=N[C@@H]2C[C@H](O)[C@@H](CO)O[C@@H]2S1
Show InChI InChI=1S/C9H16N2O3S/c1-11(2)9-10-5-3-6(13)7(4-12)14-8(5)15-9/h5-8,12-13H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1
PDB

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UniProtKB/SwissProt

antibodypedia
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US Patent
n/an/an/an/a 358n/an/an/a4



Alectos Therapeutics Inc

US Patent


Assay Description
The ELISA portion of the assay was performed in a black Maxisorp 96-well plate that was coated overnight at 4° C. with 100 uL/well of the cell ly...


US Patent US9243020 (2016)


BindingDB Entry DOI: 10.7270/Q2542MD4
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM205421
PNG
(US9243020, 4 | US9815861, Example 4)
Show SMILES CN(C)C1=N[C@@H]2C[C@H](O)[C@@H](CO)O[C@@H]2S1
Show InChI InChI=1S/C9H16N2O3S/c1-11(2)9-10-5-3-6(13)7(4-12)14-8(5)15-9/h5-8,12-13H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 358n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM205420
PNG
(US9243020, 2 | US9815861, Example 2)
Show SMILES CCNC1=N[C@@H]2C[C@H](O)[C@@H](CO)O[C@@H]2S1
Show InChI InChI=1S/C9H16N2O3S/c1-2-10-9-11-5-3-6(13)7(4-12)14-8(5)15-9/h5-8,12-13H,2-4H2,1H3,(H,10,11)/t5-,6+,7-,8-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 364n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM205420
PNG
(US9243020, 2 | US9815861, Example 2)
Show SMILES CCNC1=N[C@@H]2C[C@H](O)[C@@H](CO)O[C@@H]2S1
Show InChI InChI=1S/C9H16N2O3S/c1-2-10-9-11-5-3-6(13)7(4-12)14-8(5)15-9/h5-8,12-13H,2-4H2,1H3,(H,10,11)/t5-,6+,7-,8-/m1/s1
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
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UniChem
US Patent
n/an/an/an/a 365n/an/an/a4



Alectos Therapeutics Inc

US Patent


Assay Description
The ELISA portion of the assay was performed in a black Maxisorp 96-well plate that was coated overnight at 4° C. with 100 uL/well of the cell ly...


US Patent US9243020 (2016)


BindingDB Entry DOI: 10.7270/Q2542MD4
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Rattus norvegicus)
BDBM50513956
PNG
(CHEMBL4448352)
Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2F)S1
Show InChI InChI=1S/C9H15FN2O3S/c1-2-11-9-12-6-5(10)7(14)4(3-13)15-8(6)16-9/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5-,6-,7-,8-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 443n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of OGA in rat PC12 cells assessed as OGlcNAcylated protein level incubated for 24 hrs by ELISA


J Med Chem 62: 10062-10097 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01090
More data for this
Ligand-Target Pair
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