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Compile Data Set for Download or QSAR

Found 1402 hits Enz. Inhib. hit(s) with Target = 'N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)'   
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
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM50592032
PNG
(CHEMBL5194370 | US20240018135, Code C-8)
Show SMILES [#6]-[#6](=O)-[#7]-c1ncc(-[#6]-[#7]-2-[#6]-[#6]\[#6](-[#6]-[#6]-2)=[#6]/[#6](=O)-[#7]-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)s1
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n/an/a 0n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM458383
PNG
(1-(2-(((3R,5S)-1-((6-fluoro-2-methylbenzo[d]thiazo...)
Show SMILES C[C@H]1C[C@H](CN1Cc1cc2nc(C)sc2cc1F)Oc1ccc2CN(Cc2n1)C(C)=O |r|
Show InChI InChI=1S/C23H25FN4O2S/c1-13-6-18(30-23-5-4-16-9-28(15(3)29)12-21(16)26-23)11-27(13)10-17-7-20-22(8-19(17)24)31-14(2)25-20/h4-5,7-8,13,18H,6,9-12H2,1-3H3/t13-,18+/m0/s1
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n/an/a 0.214n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length human N-terminal poly-His tagged OGA expressed in baculovirus infected Sf9 cells using FD-GlcNAc as substrate preincubated ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00259
BindingDB Entry DOI: 10.7270/Q2NG4VBP
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM458383
PNG
(1-(2-(((3R,5S)-1-((6-fluoro-2-methylbenzo[d]thiazo...)
Show SMILES C[C@H]1C[C@H](CN1Cc1cc2nc(C)sc2cc1F)Oc1ccc2CN(Cc2n1)C(C)=O |r|
Show InChI InChI=1S/C23H25FN4O2S/c1-13-6-18(30-23-5-4-16-9-28(15(3)29)12-21(16)26-23)11-27(13)10-17-7-20-22(8-19(17)24)31-14(2)25-20/h4-5,7-8,13,18H,6,9-12H2,1-3H3/t13-,18+/m0/s1
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US Patent
n/an/a 0.214n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The OGA enzyme catalyses the removal of O-GlcNAc from nucleocytoplasmic proteins. To measure this activity Fluorescein di-N-acetyl-β-N-acetyl-D-...


US Patent US10836773 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VVK
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM458383
PNG
(1-(2-(((3R,5S)-1-((6-fluoro-2-methylbenzo[d]thiazo...)
Show SMILES C[C@H]1C[C@H](CN1Cc1cc2nc(C)sc2cc1F)Oc1ccc2CN(Cc2n1)C(C)=O |r|
Show InChI InChI=1S/C23H25FN4O2S/c1-13-6-18(30-23-5-4-16-9-28(15(3)29)12-21(16)26-23)11-27(13)10-17-7-20-22(8-19(17)24)31-14(2)25-20/h4-5,7-8,13,18H,6,9-12H2,1-3H3/t13-,18+/m0/s1
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Eli Lilly and Company

US Patent


Assay Description
The OGA enzyme catalyses the removal of O-GlcNAc from nucleocytoplasmic proteins. To measure this activity Fluorescein di-N-acetyl-β-N-acetyl-D-...


US Patent US10752632 (2020)


BindingDB Entry DOI: 10.7270/Q2T72MHD
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM458387
PNG
(1-[2-[(3R,5S)-1-[(1S)-1-(6-fluoro-2-methyl-1,3-ben...)
Show SMILES C[C@H](N1C[C@@H](C[C@@H]1C)Oc1ccc2CN(Cc2n1)C(C)=O)c1cc2nc(C)sc2cc1F |r|
Show InChI InChI=1S/C24H27FN4O2S/c1-13-7-18(31-24-6-5-17-10-28(16(4)30)12-22(17)27-24)11-29(13)14(2)19-8-21-23(9-20(19)25)32-15(3)26-21/h5-6,8-9,13-14,18H,7,10-12H2,1-4H3/t13-,14-,18+/m0/s1
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TBA

Assay Description
Inhibition of full-length human N-terminal poly-His tagged OGA expressed in baculovirus infected Sf9 cells using FD-GlcNAc as substrate preincubated ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00259
BindingDB Entry DOI: 10.7270/Q2NG4VBP
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM458387
PNG
(1-[2-[(3R,5S)-1-[(1S)-1-(6-fluoro-2-methyl-1,3-ben...)
Show SMILES C[C@H](N1C[C@@H](C[C@@H]1C)Oc1ccc2CN(Cc2n1)C(C)=O)c1cc2nc(C)sc2cc1F |r|
Show InChI InChI=1S/C24H27FN4O2S/c1-13-7-18(31-24-6-5-17-10-28(16(4)30)12-22(17)27-24)11-29(13)14(2)19-8-21-23(9-20(19)25)32-15(3)26-21/h5-6,8-9,13-14,18H,7,10-12H2,1-4H3/t13-,14-,18+/m0/s1
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n/an/a 0.385n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The OGA enzyme catalyses the removal of O-GlcNAc from nucleocytoplasmic proteins. To measure this activity Fluorescein di-N-acetyl-β-N-acetyl-D-...


US Patent US10752632 (2020)


BindingDB Entry DOI: 10.7270/Q2T72MHD
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM458387
PNG
(1-[2-[(3R,5S)-1-[(1S)-1-(6-fluoro-2-methyl-1,3-ben...)
Show SMILES C[C@H](N1C[C@@H](C[C@@H]1C)Oc1ccc2CN(Cc2n1)C(C)=O)c1cc2nc(C)sc2cc1F |r|
Show InChI InChI=1S/C24H27FN4O2S/c1-13-7-18(31-24-6-5-17-10-28(16(4)30)12-22(17)27-24)11-29(13)14(2)19-8-21-23(9-20(19)25)32-15(3)26-21/h5-6,8-9,13-14,18H,7,10-12H2,1-4H3/t13-,14-,18+/m0/s1
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n/an/a 0.385n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The OGA enzyme catalyses the removal of O-GlcNAc from nucleocytoplasmic proteins. To measure this activity Fluorescein di-N-acetyl-β-N-acetyl-D-...


US Patent US10836773 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VVK
More data for this
Ligand-Target Pair
Protein 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 |r,t:3|
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
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n/an/a 0.410n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human O-GlcNAcase


J Med Chem 62: 10059-10061 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01668
BindingDB Entry DOI: 10.7270/Q2PV6PM2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM458382
PNG
(1-(2-(((3R,5S)-1-((6-fluoro-2-methylbenzo[d]thiazo...)
Show SMILES C[C@H]1C[C@H](CN1Cc1cc2nc(C)sc2cc1F)Oc1ncc2CN(Cc2n1)C(C)=O |r|
Show InChI InChI=1S/C22H24FN5O2S/c1-12-4-17(30-22-24-7-16-9-28(14(3)29)11-20(16)26-22)10-27(12)8-15-5-19-21(6-18(15)23)31-13(2)25-19/h5-7,12,17H,4,8-11H2,1-3H3/t12-,17+/m0/s1
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n/an/a 0.465n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length human N-terminal poly-His tagged OGA expressed in baculovirus infected Sf9 cells using FD-GlcNAc as substrate preincubated ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00259
BindingDB Entry DOI: 10.7270/Q2NG4VBP
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM458382
PNG
(1-(2-(((3R,5S)-1-((6-fluoro-2-methylbenzo[d]thiazo...)
Show SMILES C[C@H]1C[C@H](CN1Cc1cc2nc(C)sc2cc1F)Oc1ncc2CN(Cc2n1)C(C)=O |r|
Show InChI InChI=1S/C22H24FN5O2S/c1-12-4-17(30-22-24-7-16-9-28(14(3)29)11-20(16)26-22)10-27(12)8-15-5-19-21(6-18(15)23)31-13(2)25-19/h5-7,12,17H,4,8-11H2,1-3H3/t12-,17+/m0/s1
PDB

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n/an/a 0.465n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The OGA enzyme catalyses the removal of O-GlcNAc from nucleocytoplasmic proteins. To measure this activity Fluorescein di-N-acetyl-β-N-acetyl-D-...


US Patent US10836773 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VVK
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM458382
PNG
(1-(2-(((3R,5S)-1-((6-fluoro-2-methylbenzo[d]thiazo...)
Show SMILES C[C@H]1C[C@H](CN1Cc1cc2nc(C)sc2cc1F)Oc1ncc2CN(Cc2n1)C(C)=O |r|
Show InChI InChI=1S/C22H24FN5O2S/c1-12-4-17(30-22-24-7-16-9-28(14(3)29)11-20(16)26-22)10-27(12)8-15-5-19-21(6-18(15)23)31-13(2)25-19/h5-7,12,17H,4,8-11H2,1-3H3/t12-,17+/m0/s1
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Eli Lilly and Company

US Patent


Assay Description
The OGA enzyme catalyses the removal of O-GlcNAc from nucleocytoplasmic proteins. To measure this activity Fluorescein di-N-acetyl-β-N-acetyl-D-...


US Patent US10752632 (2020)


BindingDB Entry DOI: 10.7270/Q2T72MHD
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM458386
PNG
(1-[2-[(3R,5S)-1-[(1S)-1-(6-fluoro-2-methyl-1,3-ben...)
Show SMILES C[C@H](N1C[C@@H](C[C@@H]1C)Oc1ncc2CN(Cc2n1)C(C)=O)c1cc2nc(C)sc2cc1F |r|
Show InChI InChI=1S/C23H26FN5O2S/c1-12-5-17(31-23-25-8-16-9-28(15(4)30)11-21(16)27-23)10-29(12)13(2)18-6-20-22(7-19(18)24)32-14(3)26-20/h6-8,12-13,17H,5,9-11H2,1-4H3/t12-,13-,17+/m0/s1
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n/an/a 0.495n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The OGA enzyme catalyses the removal of O-GlcNAc from nucleocytoplasmic proteins. To measure this activity Fluorescein di-N-acetyl-β-N-acetyl-D-...


US Patent US10836773 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VVK
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM458386
PNG
(1-[2-[(3R,5S)-1-[(1S)-1-(6-fluoro-2-methyl-1,3-ben...)
Show SMILES C[C@H](N1C[C@@H](C[C@@H]1C)Oc1ncc2CN(Cc2n1)C(C)=O)c1cc2nc(C)sc2cc1F |r|
Show InChI InChI=1S/C23H26FN5O2S/c1-12-5-17(31-23-25-8-16-9-28(15(4)30)11-21(16)27-23)10-29(12)13(2)18-6-20-22(7-19(18)24)32-14(3)26-20/h6-8,12-13,17H,5,9-11H2,1-4H3/t12-,13-,17+/m0/s1
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n/an/a 0.495n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The OGA enzyme catalyses the removal of O-GlcNAc from nucleocytoplasmic proteins. To measure this activity Fluorescein di-N-acetyl-β-N-acetyl-D-...


US Patent US10752632 (2020)


BindingDB Entry DOI: 10.7270/Q2T72MHD
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM458386
PNG
(1-[2-[(3R,5S)-1-[(1S)-1-(6-fluoro-2-methyl-1,3-ben...)
Show SMILES C[C@H](N1C[C@@H](C[C@@H]1C)Oc1ncc2CN(Cc2n1)C(C)=O)c1cc2nc(C)sc2cc1F |r|
Show InChI InChI=1S/C23H26FN5O2S/c1-12-5-17(31-23-25-8-16-9-28(15(4)30)11-21(16)27-23)10-29(12)13(2)18-6-20-22(7-19(18)24)32-14(3)26-20/h6-8,12-13,17H,5,9-11H2,1-4H3/t12-,13-,17+/m0/s1
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n/an/a 0.495n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length human N-terminal poly-His tagged OGA expressed in baculovirus infected Sf9 cells using FD-GlcNAc as substrate preincubated ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00259
BindingDB Entry DOI: 10.7270/Q2NG4VBP
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM458385
PNG
(1-[3-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiaz...)
Show SMILES C[C@H]1C[C@H](CN1Cc1cc2nc(C)sc2cc1F)Oc1cnc2CN(Cc2c1)C(C)=O |r|
Show InChI InChI=1S/C23H25FN4O2S/c1-13-4-19(30-18-5-17-10-28(15(3)29)12-22(17)25-8-18)11-27(13)9-16-6-21-23(7-20(16)24)31-14(2)26-21/h5-8,13,19H,4,9-12H2,1-3H3/t13-,19+/m0/s1
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n/an/a 0.592n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The OGA enzyme catalyses the removal of O-GlcNAc from nucleocytoplasmic proteins. To measure this activity Fluorescein di-N-acetyl-β-N-acetyl-D-...


US Patent US10752632 (2020)


BindingDB Entry DOI: 10.7270/Q2T72MHD
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM458385
PNG
(1-[3-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiaz...)
Show SMILES C[C@H]1C[C@H](CN1Cc1cc2nc(C)sc2cc1F)Oc1cnc2CN(Cc2c1)C(C)=O |r|
Show InChI InChI=1S/C23H25FN4O2S/c1-13-4-19(30-18-5-17-10-28(15(3)29)12-22(17)25-8-18)11-27(13)9-16-6-21-23(7-20(16)24)31-14(2)26-21/h5-8,13,19H,4,9-12H2,1-3H3/t13-,19+/m0/s1
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TBA

Assay Description
Inhibition of full-length human N-terminal poly-His tagged OGA expressed in baculovirus infected Sf9 cells using FD-GlcNAc as substrate preincubated ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00259
BindingDB Entry DOI: 10.7270/Q2NG4VBP
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM458385
PNG
(1-[3-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiaz...)
Show SMILES C[C@H]1C[C@H](CN1Cc1cc2nc(C)sc2cc1F)Oc1cnc2CN(Cc2c1)C(C)=O |r|
Show InChI InChI=1S/C23H25FN4O2S/c1-13-4-19(30-18-5-17-10-28(15(3)29)12-22(17)25-8-18)11-27(13)9-16-6-21-23(7-20(16)24)31-14(2)26-21/h5-8,13,19H,4,9-12H2,1-3H3/t13-,19+/m0/s1
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n/an/a 0.592n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The OGA enzyme catalyses the removal of O-GlcNAc from nucleocytoplasmic proteins. To measure this activity Fluorescein di-N-acetyl-β-N-acetyl-D-...


US Patent US10836773 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VVK
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM458384
PNG
(1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiaz...)
Show SMILES C[C@H]1C[C@H](CN1Cc1cc2nc(C)sc2cc1F)Oc1cc2CN(Cc2cn1)C(C)=O |r|
Show InChI InChI=1S/C23H25FN4O2S/c1-13-4-19(30-23-6-16-9-28(15(3)29)11-18(16)8-25-23)12-27(13)10-17-5-21-22(7-20(17)24)31-14(2)26-21/h5-8,13,19H,4,9-12H2,1-3H3/t13-,19+/m0/s1
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n/an/a 0.782n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The OGA enzyme catalyses the removal of O-GlcNAc from nucleocytoplasmic proteins. To measure this activity Fluorescein di-N-acetyl-β-N-acetyl-D-...


US Patent US10836773 (2020)


BindingDB Entry DOI: 10.7270/Q2PG1VVK
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM458384
PNG
(1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiaz...)
Show SMILES C[C@H]1C[C@H](CN1Cc1cc2nc(C)sc2cc1F)Oc1cc2CN(Cc2cn1)C(C)=O |r|
Show InChI InChI=1S/C23H25FN4O2S/c1-13-4-19(30-23-6-16-9-28(15(3)29)11-18(16)8-25-23)12-27(13)10-17-5-21-22(7-20(17)24)31-14(2)26-21/h5-8,13,19H,4,9-12H2,1-3H3/t13-,19+/m0/s1
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n/an/a 0.782n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length human N-terminal poly-His tagged OGA expressed in baculovirus infected Sf9 cells using FD-GlcNAc as substrate preincubated ...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00259
BindingDB Entry DOI: 10.7270/Q2NG4VBP
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM458384
PNG
(1-[6-[(3R,5S)-1-[(6-fluoro-2-methyl-1,3-benzothiaz...)
Show SMILES C[C@H]1C[C@H](CN1Cc1cc2nc(C)sc2cc1F)Oc1cc2CN(Cc2cn1)C(C)=O |r|
Show InChI InChI=1S/C23H25FN4O2S/c1-13-4-19(30-23-6-16-9-28(15(3)29)11-18(16)8-25-23)12-27(13)10-17-5-21-22(7-20(17)24)31-14(2)26-21/h5-8,13,19H,4,9-12H2,1-3H3/t13-,19+/m0/s1
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US Patent
n/an/a 0.782n/an/an/an/an/an/a



Eli Lilly and Company

US Patent


Assay Description
The OGA enzyme catalyses the removal of O-GlcNAc from nucleocytoplasmic proteins. To measure this activity Fluorescein di-N-acetyl-β-N-acetyl-D-...


US Patent US10752632 (2020)


BindingDB Entry DOI: 10.7270/Q2T72MHD
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM532950
PNG
((?)-5-fluoro-6-[1-[4-(5-methyl-1,3,4-oxadiazol-2-y...)
Show SMILES CC(N1CCC(CC1)c1nnc(C)o1)c1nc2OCCc2cc1F |w:1.0|
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n/an/a 1.13n/an/an/an/an/an/a


TBA

Assay Description
The assay buffer is prepared to give a final concentration of 50 mM H2NaPO3—HNa2PO3, 0.01% bovine serum albumin and 0.01% Triton™ X-100 in water, at ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29S1V76
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM532948
PNG
((?)-6-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-pipe...)
Show SMILES CC(N1CCC(CC1)c1nnc(C)o1)c1ccc2CCOc2n1 |w:1.0|
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TBA

Assay Description
The assay buffer is prepared to give a final concentration of 50 mM H2NaPO3—HNa2PO3, 0.01% bovine serum albumin and 0.01% Triton™ X-100 in water, at ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29S1V76
More data for this
Ligand-Target Pair
Protein 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 |r,t:3|
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/a 3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114444
BindingDB Entry DOI: 10.7270/Q2MC9402
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM50508751
PNG
(CHEMBL4559427)
Show SMILES CC(=O)Nc1ncc(CN2CC[C@]3(CCN(C3)c3cc(C)nc(C)c3)C2)s1 |r|
Show InChI InChI=1S/C20H27N5OS/c1-14-8-17(9-15(2)22-14)25-7-5-20(13-25)4-6-24(12-20)11-18-10-21-19(27-18)23-16(3)26/h8-10H,4-7,11-13H2,1-3H3,(H,21,23,26)/t20-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length OGA using FM-GlcNAc as substrate preincubated for 60 mins followed by substrate addition and measured aft...


ACS Med Chem Lett 10: (2019)


Article DOI: 10.1021/acsmedchemlett.8b00653
BindingDB Entry DOI: 10.7270/Q21839T9
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM50508743
PNG
(CHEMBL4460141)
Show SMILES CC(=O)Nc1ncc(CN2CCC3(CCN(C3)c3ncc(C)cc3C)C2)s1
Show InChI InChI=1S/C20H27N5OS/c1-14-8-15(2)18(21-9-14)25-7-5-20(13-25)4-6-24(12-20)11-17-10-22-19(27-17)23-16(3)26/h8-10H,4-7,11-13H2,1-3H3,(H,22,23,26)
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n/an/a 3.90n/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length OGA using FM-GlcNAc as substrate preincubated for 60 mins followed by substrate addition and measured aft...


ACS Med Chem Lett 10: (2019)


Article DOI: 10.1021/acsmedchemlett.8b00653
BindingDB Entry DOI: 10.7270/Q21839T9
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM613669
PNG
(US11731972, Compound 11)
Show SMILES CC(N1CCC2(CC1)NC(=O)N(Cc1ccc(cc1)S(C)(=O)=O)C2=O)c1ccc2CCOc2c1
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2BP06X6
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM613711
PNG
(US11731972, Compound 59)
Show SMILES CC(N1CCC2(CN(C(=O)N2)c2cccnn2)CC1)c1ccc2scnc2c1
PDB

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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2BP06X6
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM613712
PNG
(US11731972, Compound 60)
Show SMILES CC(N1CCC2(CC1)NC(=O)N(C2=O)c1cc(C)nc(C)c1)c1ccc2scnc2c1
PDB

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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2BP06X6
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM613670
PNG
(US11731972, Compound 12)
Show SMILES CC(N1CCC2(CC1)NC(=O)N(C2=O)c1ccc(cc1)C#N)c1ccc2CCOc2c1
PDB

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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2BP06X6
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM613730
PNG
(US11731972, Compound IA5)
Show SMILES CC(=O)Nc1ncc(CN2CCC3(CC2)NC(=O)N(Cc2ccnc(C)c2)C3=O)s1
PDB

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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2BP06X6
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM613731
PNG
(US11731972, Compound IA6)
Show SMILES CSc1cnc(nc1)N1CC2(CCN(Cc3cnc(NC(C)=O)s3)CC2)NC1=O
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2BP06X6
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM613729
PNG
(US11731972, Compound IA4)
Show SMILES CC(=O)Nc1ncc(CN2CCC3(CC2)NC(=O)N(Cc2cc(C)nc(C)c2)C3=O)s1
PDB

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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2BP06X6
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM50508749
PNG
(CHEMBL4546591)
Show SMILES CC(=O)Nc1ncc(CN2CCC3(CCN(C3)c3cc(C)nc(C)c3)C2)s1
Show InChI InChI=1S/C20H27N5OS/c1-14-8-17(9-15(2)22-14)25-7-5-20(13-25)4-6-24(12-20)11-18-10-21-19(27-18)23-16(3)26/h8-10H,4-7,11-13H2,1-3H3,(H,21,23,26)
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n/an/a 6n/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length OGA using FM-GlcNAc as substrate preincubated for 60 mins followed by substrate addition and measured aft...


ACS Med Chem Lett 10: (2019)


Article DOI: 10.1021/acsmedchemlett.8b00653
BindingDB Entry DOI: 10.7270/Q21839T9
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM645669
PNG
(US20240018135, Code A-34S)
Show SMILES C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2)CCN1Cc1cnc(NC(C)=O)s1 |r|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein 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 |r,t:3|
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/a 7.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human O-GlcNAcase


J Med Chem 62: 10059-10061 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01668
BindingDB Entry DOI: 10.7270/Q2PV6PM2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM50508747
PNG
(CHEMBL4591634)
Show SMILES CC(=O)Nc1ncc(CN2CC[C@@]3(CCN(C3)c3cc(C)nc(C)c3)C2)s1 |r|
Show InChI InChI=1S/C20H27N5OS/c1-14-8-17(9-15(2)22-14)25-7-5-20(13-25)4-6-24(12-20)11-18-10-21-19(27-18)23-16(3)26/h8-10H,4-7,11-13H2,1-3H3,(H,21,23,26)/t20-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length OGA using FM-GlcNAc as substrate preincubated for 60 mins followed by substrate addition and measured aft...


ACS Med Chem Lett 10: (2019)


Article DOI: 10.1021/acsmedchemlett.8b00653
BindingDB Entry DOI: 10.7270/Q21839T9
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM50508753
PNG
(CHEMBL4580690)
Show SMILES CC(=O)Nc1ncc(CN2CCC3(CCN(C3)c3cc(C)nc(C)n3)C2)s1
Show InChI InChI=1S/C19H26N6OS/c1-13-8-17(22-14(2)21-13)25-7-5-19(12-25)4-6-24(11-19)10-16-9-20-18(27-16)23-15(3)26/h8-9H,4-7,10-12H2,1-3H3,(H,20,23,26)
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n/an/a 13n/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length OGA using FM-GlcNAc as substrate preincubated for 60 mins followed by substrate addition and measured aft...


ACS Med Chem Lett 10: (2019)


Article DOI: 10.1021/acsmedchemlett.8b00653
BindingDB Entry DOI: 10.7270/Q21839T9
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM50508752
PNG
(CHEMBL4474295)
Show SMILES CC(=O)Nc1ncc(CN2CCC3(CCN(C3)c3cc(C)ncc3C)C2)s1
Show InChI InChI=1S/C20H27N5OS/c1-14-9-21-15(2)8-18(14)25-7-5-20(13-25)4-6-24(12-20)11-17-10-22-19(27-17)23-16(3)26/h8-10H,4-7,11-13H2,1-3H3,(H,22,23,26)
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n/an/a 13n/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length OGA using FM-GlcNAc as substrate preincubated for 60 mins followed by substrate addition and measured aft...


ACS Med Chem Lett 10: (2019)


Article DOI: 10.1021/acsmedchemlett.8b00653
BindingDB Entry DOI: 10.7270/Q21839T9
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM50549046
PNG
(CHEMBL4741417)
Show SMILES CC(=O)Nc1ncc(CN2CCC3(CCN(C3)c3cc(C)nc4ccccc34)C2)s1
PDB

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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of OGA in HEK293 cells induced with human Tau P30IL mutant assessed as increase in O-GlcNAcylated protein levels measured after 6 hrs by H...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01479
BindingDB Entry DOI: 10.7270/Q23F4T82
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM50549046
PNG
(CHEMBL4741417)
Show SMILES CC(=O)Nc1ncc(CN2CCC3(CCN(C3)c3cc(C)nc4ccccc34)C2)s1
PDB

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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of OGA in HEK293 cells induced with human Tau P30IL mutant assessed as increase in O-GlcNAcylated protein levels measured after 6 hrs by H...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01479
BindingDB Entry DOI: 10.7270/Q23F4T82
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM50557163
PNG
(CHEMBL4781640)
Show SMILES CC1CCN(CC1)c1ccnc(NCc2cccnc2)n1
PDB

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TBA

Assay Description
Inhibition of full-length human OGA expressed in Expi293 (HEK293) cells using 4-methylumbelliferyl-N-acetyl-beta-D-glucosaminide dihydrate as fluorog...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01712
BindingDB Entry DOI: 10.7270/Q2NS0ZKN
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM50508750
PNG
(CHEMBL4521475)
Show SMILES CC(N1CCC2(CCN(C2)c2cc(C)nc(C)c2)C1)c1ccc2sc(C)nc2c1
Show InChI InChI=1S/C24H30N4S/c1-16-11-21(12-17(2)25-16)28-10-8-24(15-28)7-9-27(14-24)18(3)20-5-6-23-22(13-20)26-19(4)29-23/h5-6,11-13,18H,7-10,14-15H2,1-4H3
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n/an/a 18n/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length OGA using FM-GlcNAc as substrate preincubated for 60 mins followed by substrate addition and measured aft...


ACS Med Chem Lett 10: (2019)


Article DOI: 10.1021/acsmedchemlett.8b00653
BindingDB Entry DOI: 10.7270/Q21839T9
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM50508748
PNG
(CHEMBL4440890)
Show SMILES CC(=O)Nc1ncc(CN2CCC3(CCN(C3)c3cncc(n3)C3CC3)C2)s1
Show InChI InChI=1S/C20H26N6OS/c1-14(27)23-19-22-8-16(28-19)11-25-6-4-20(12-25)5-7-26(13-20)18-10-21-9-17(24-18)15-2-3-15/h8-10,15H,2-7,11-13H2,1H3,(H,22,23,27)
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Drexel University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length OGA using FM-GlcNAc as substrate preincubated for 60 mins followed by substrate addition and measured aft...


ACS Med Chem Lett 10: (2019)


Article DOI: 10.1021/acsmedchemlett.8b00653
BindingDB Entry DOI: 10.7270/Q21839T9
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM50557156
PNG
(CHEMBL4757008)
Show SMILES CC1CCN(CC1)c1ccnc(NCCc2ccccc2)n1
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TBA

Assay Description
Inhibition of full-length human OGA expressed in Expi293 (HEK293) cells using 4-methylumbelliferyl-N-acetyl-beta-D-glucosaminide dihydrate as fluorog...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01712
BindingDB Entry DOI: 10.7270/Q2NS0ZKN
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM645643
PNG
(N-([1,1'-biphenyl]-4-ylmethyl)- 2-(4-((2-acetamido...)
Show SMILES CC1CN(CC(=O)NCc2ccc(cc2)-c2ccccc2)CCN1Cc1cnc(NC(C)=O)s1
PDB

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TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM50557162
PNG
(CHEMBL4763159)
Show SMILES CC1CCN(CC1)c1ccnc(NCCc2cccnc2)n1
PDB

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n/an/a 31n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length human OGA expressed in Expi293 (HEK293) cells using 4-methylumbelliferyl-N-acetyl-beta-D-glucosaminide dihydrate as fluorog...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01712
BindingDB Entry DOI: 10.7270/Q2NS0ZKN
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM50508742
PNG
(CHEMBL4558360)
Show SMILES CC(=O)Nc1ncc(CN2CCC3(CCN(C3)c3cc(C)ncc3C(F)(F)F)C2)s1
Show InChI InChI=1S/C20H24F3N5OS/c1-13-7-17(16(9-24-13)20(21,22)23)28-6-4-19(12-28)3-5-27(11-19)10-15-8-25-18(30-15)26-14(2)29/h7-9H,3-6,10-12H2,1-2H3,(H,25,26,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Drexel University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length OGA using FM-GlcNAc as substrate preincubated for 60 mins followed by substrate addition and measured aft...


ACS Med Chem Lett 10: (2019)


Article DOI: 10.1021/acsmedchemlett.8b00653
BindingDB Entry DOI: 10.7270/Q21839T9
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM50549046
PNG
(CHEMBL4741417)
Show SMILES CC(=O)Nc1ncc(CN2CCC3(CCN(C3)c3cc(C)nc4ccccc34)C2)s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 39n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of OGA in HEK293 cells induced with human Tau P30IL mutant assessed as increase in O-GlcNAcylated protein levels measured after 6 hrs by H...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01479
BindingDB Entry DOI: 10.7270/Q23F4T82
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM50592008
PNG
(CHEMBL5171168 | US20240018135, Code A-34)
Show SMILES CC1CN(CC(=O)Nc2ccc(Cl)cc2)CCN1Cc1cnc(NC(C)=O)s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114444
BindingDB Entry DOI: 10.7270/Q2MC9402
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM50557155
PNG
(CHEMBL4789831)
Show SMILES CC(CN1CCN(C)CC1)Nc1nccc(n1)N1CCC(C)CC1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full-length human OGA expressed in Expi293 (HEK293) cells using 4-methylumbelliferyl-N-acetyl-beta-D-glucosaminide dihydrate as fluorog...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01712
BindingDB Entry DOI: 10.7270/Q2NS0ZKN
More data for this
Ligand-Target Pair
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