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Compile Data Set for Download or QSAR

Found 124 hits Enz. Inhib. hit(s) with all data for entry = 11188   
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))
BDBM597984
PNG
(US11612599, Compound 1)
Show SMILES CC(N1CCN(CC1)c1ccc2cnc(C)n2c1)c1ccc2CCOc2c1
PDB

KEGG

UniProtKB/SwissProt

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM597985
PNG
(US11612599, Compound 2)
Show SMILES CC(N1CCN(CC1)c1ccc2CNC(=O)c2c1)c1ccc2CCOc2c1
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM597986
PNG
(US11612599, Compound 3)
Show SMILES CC(N1CCN(CC1)c1cc2OCC(=O)Nc2cn1)c1ccc2CCOc2c1
PDB

KEGG

UniProtKB/SwissProt

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430395
PNG
(US10556902, No 5 | US11612599, Compound 5)
Show SMILES CC(N1CCN(CC1)c1ncc2CN(CCc2n1)C(C)=O)c1ccc2CCOc2c1
Show InChI InChI=1S/C23H29N5O2/c1-16(19-4-3-18-6-12-30-22(18)13-19)26-8-10-27(11-9-26)23-24-14-20-15-28(17(2)29)7-5-21(20)25-23/h3-4,13-14,16H,5-12,15H2,1-2H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430397
PNG
(US10556902, No 7 | US11612599, Compound 7)
Show SMILES CC(N1CCN(CC1)c1ncc2CNCCc2n1)c1ccc2CCOc2c1
Show InChI InChI=1S/C21H27N5O/c1-15(17-3-2-16-5-11-27-20(16)12-17)25-7-9-26(10-8-25)21-23-14-18-13-22-6-4-19(18)24-21/h2-3,12,14-15,22H,4-11,13H2,1H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430398
PNG
(US10556902, No 8 | US11612599, Compound 8)
Show SMILES CC(N1CCN(CC1)c1ncc2CNCCc2n1)c1ccc2nccnc2c1
Show InChI InChI=1S/C21H25N7/c1-15(16-2-3-19-20(12-16)24-7-6-23-19)27-8-10-28(11-9-27)21-25-14-17-13-22-5-4-18(17)26-21/h2-3,6-7,12,14-15,22H,4-5,8-11,13H2,1H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430399
PNG
(US10556902, No 9 | US11612599, Compound 9)
Show SMILES CC(N1CCN(CC1)c1ncc2CN(C)CCc2n1)c1ccc2nccnc2c1
Show InChI InChI=1S/C22H27N7/c1-16(17-3-4-20-21(13-17)24-7-6-23-20)28-9-11-29(12-10-28)22-25-14-18-15-27(2)8-5-19(18)26-22/h3-4,6-7,13-14,16H,5,8-12,15H2,1-2H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430400
PNG
(US10556902, No 10 | US11612599, Compound 10)
Show SMILES CC(N1CCN(CC1)c1nc2CCN(Cc2s1)C(C)=O)c1ccc2CCOc2c1
Show InChI InChI=1S/C22H28N4O2S/c1-15(18-4-3-17-6-12-28-20(17)13-18)24-8-10-25(11-9-24)22-23-19-5-7-26(16(2)27)14-21(19)29-22/h3-4,13,15H,5-12,14H2,1-2H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430402
PNG
(US10556902, No 12 | US11612599, Compound 12)
Show SMILES CC(N1CCN(CC1)c1nc2CCNC(=O)c2s1)c1ccc2CCOc2c1
Show InChI InChI=1S/C20H24N4O2S/c1-13(15-3-2-14-5-11-26-17(14)12-15)23-7-9-24(10-8-23)20-22-16-4-6-21-19(25)18(16)27-20/h2-3,12-13H,4-11H2,1H3,(H,21,25)
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430403
PNG
(US10556902, No 13 | US11612599, Compound 13)
Show SMILES CC(N1CCN(CC1)c1nc2CCN(C)C(=O)c2s1)c1ccc2CCOc2c1
Show InChI InChI=1S/C21H26N4O2S/c1-14(16-4-3-15-6-12-27-18(15)13-16)24-8-10-25(11-9-24)21-22-17-5-7-23(2)20(26)19(17)28-21/h3-4,13-14H,5-12H2,1-2H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430405
PNG
(US10556902, No 15 | US11612599, Compound 15)
Show SMILES CC(N1CCN(CC1)c1nc2CCNCc2s1)c1ccc2CCOc2c1
Show InChI InChI=1S/C20H26N4OS/c1-14(16-3-2-15-5-11-25-18(15)12-16)23-7-9-24(10-8-23)20-22-17-4-6-21-13-19(17)26-20/h2-3,12,14,21H,4-11,13H2,1H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430406
PNG
(US10556902, No 16 | US11612599, Compound 16)
Show SMILES CC(N1CCN(CC1)c1nc2CCN(C)Cc2s1)c1ccc2CCOc2c1
Show InChI InChI=1S/C21H28N4OS/c1-15(17-4-3-16-6-12-26-19(16)13-17)24-8-10-25(11-9-24)21-22-18-5-7-23(2)14-20(18)27-21/h3-4,13,15H,5-12,14H2,1-2H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM598004
PNG
(US11612599, Compound 17)
Show SMILES C[C@H](N1CCN(CC1)c1nc2CCNCc2s1)c1ccc2CCOc2c1 |r|
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430413
PNG
(US10556902, No 23 | US11612599, Compound 23)
Show SMILES CC(N1CCC(CC1)c1nnc(C)o1)c1ccc2CCOc2c1
Show InChI InChI=1S/C18H23N3O2/c1-12(16-4-3-14-7-10-22-17(14)11-16)21-8-5-15(6-9-21)18-20-19-13(2)23-18/h3-4,11-12,15H,5-10H2,1-2H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430425
PNG
(US10556902, No 35 | US11612599, Compound 35)
Show SMILES CC(O)c1ccc(nn1)N1CCN(CC1)C(C)c1ccc2CCOc2c1
Show InChI InChI=1S/C20H26N4O2/c1-14(17-4-3-16-7-12-26-19(16)13-17)23-8-10-24(11-9-23)20-6-5-18(15(2)25)21-22-20/h3-6,13-15,25H,7-12H2,1-2H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430430
PNG
(US10556902, No 40 | US11612599, Compound 40)
Show SMILES CC(N1CCN(CC1)c1ccc(nn1)C(F)(F)F)c1ccc2CCOc2c1
Show InChI InChI=1S/C19H21F3N4O/c1-13(15-3-2-14-6-11-27-16(14)12-15)25-7-9-26(10-8-25)18-5-4-17(23-24-18)19(20,21)22/h2-5,12-13H,6-11H2,1H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430435
PNG
(US10556902, No 45 | US11612599, Compound 45)
Show SMILES CC(N1CCN(CC1)c1ccc(nn1)S(C)(=O)=O)c1ccc2CCOc2c1
Show InChI InChI=1S/C19H24N4O3S/c1-14(16-4-3-15-7-12-26-17(15)13-16)22-8-10-23(11-9-22)18-5-6-19(21-20-18)27(2,24)25/h3-6,13-14H,7-12H2,1-2H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430437
PNG
(US10556902, No 47 | US11612599, Compound 47)
Show SMILES CC(O)c1ccc(nc1)N1CCN(CC1)C(C)c1ccc2CCOc2c1
Show InChI InChI=1S/C21H27N3O2/c1-15(18-4-3-17-7-12-26-20(17)13-18)23-8-10-24(11-9-23)21-6-5-19(14-22-21)16(2)25/h3-6,13-16,25H,7-12H2,1-2H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430438
PNG
(US10556902, No 48 | US11612599, Compound 48)
Show SMILES CC(N1CCN(CC1)c1ccc(cn1)C(C)(C)O)c1ccc2CCOc2c1
Show InChI InChI=1S/C22H29N3O2/c1-16(18-5-4-17-8-13-27-20(17)14-18)24-9-11-25(12-10-24)21-7-6-19(15-23-21)22(2,3)26/h4-7,14-16,26H,8-13H2,1-3H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430439
PNG
(US10556902, No 49 | US11612599, Compound 49)
Show SMILES CC(C)C(O)c1ccc(nc1)N1CCN(CC1)C(C)c1ccc2CCOc2c1
Show InChI InChI=1S/C23H31N3O2/c1-16(2)23(27)20-6-7-22(24-15-20)26-11-9-25(10-12-26)17(3)19-5-4-18-8-13-28-21(18)14-19/h4-7,14-17,23,27H,8-13H2,1-3H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430440
PNG
(US10556902, No 50 | US11612599, Compound 50)
Show SMILES CC(N1CCN(CC1)c1ccc(cn1)C(O)C(F)(F)F)c1ccc2CCOc2c1
Show InChI InChI=1S/C21H24F3N3O2/c1-14(16-3-2-15-6-11-29-18(15)12-16)26-7-9-27(10-8-26)19-5-4-17(13-25-19)20(28)21(22,23)24/h2-5,12-14,20,28H,6-11H2,1H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430452
PNG
(US10556902, No 62 | US11612599, Compound 62)
Show SMILES COC(=O)c1ccc(nc1)N1CCN(CC1)C(C)c1ccc2CCOc2c1
Show InChI InChI=1S/C21H25N3O3/c1-15(17-4-3-16-7-12-27-19(16)13-17)23-8-10-24(11-9-23)20-6-5-18(14-22-20)21(25)26-2/h3-6,13-15H,7-12H2,1-2H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430453
PNG
(US10556902, No 63 | US11612599, Compound 63)
Show SMILES CC(N1CCN(CC1)c1ccc(cn1)C(=O)N(C)C)c1ccc2CCOc2c1
Show InChI InChI=1S/C22H28N4O2/c1-16(18-5-4-17-8-13-28-20(17)14-18)25-9-11-26(12-10-25)21-7-6-19(15-23-21)22(27)24(2)3/h4-7,14-16H,8-13H2,1-3H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430454
PNG
(US10556902, No 64 | US11612599, Compound 64)
Show SMILES CNC(=O)c1ccc(nc1)N1CCN(CC1)C(C)c1ccc2CCOc2c1
Show InChI InChI=1S/C21H26N4O2/c1-15(17-4-3-16-7-12-27-19(16)13-17)24-8-10-25(11-9-24)20-6-5-18(14-23-20)21(26)22-2/h3-6,13-15H,7-12H2,1-2H3,(H,22,26)
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430455
PNG
(US10556902, No 65 | US11612599, Compound 65)
Show SMILES CC(N1CCN(CC1)c1ccc(cn1)C(O)=O)c1ccc2CCOc2c1
Show InChI InChI=1S/C20H23N3O3/c1-14(16-3-2-15-6-11-26-18(15)12-16)22-7-9-23(10-8-22)19-5-4-17(13-21-19)20(24)25/h2-5,12-14H,6-11H2,1H3,(H,24,25)
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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430461
PNG
(US10556902, No 71 | US11612599, Compound 71)
Show SMILES CC(N1CCN(CC1)c1ccc(cn1)S(C)(=O)=O)c1ccc2CCOc2c1
Show InChI InChI=1S/C20H25N3O3S/c1-15(17-4-3-16-7-12-26-19(16)13-17)22-8-10-23(11-9-22)20-6-5-18(14-21-20)27(2,24)25/h3-6,13-15H,7-12H2,1-2H3
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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430463
PNG
(US10556902, No 73 | US11612599, Compound 73)
Show SMILES CC(N1CCN(CC1)c1ncc(CO)cn1)c1ccc2scnc2c1
Show InChI InChI=1S/C18H21N5OS/c1-13(15-2-3-17-16(8-15)21-12-25-17)22-4-6-23(7-5-22)18-19-9-14(11-24)10-20-18/h2-3,8-10,12-13,24H,4-7,11H2,1H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430464
PNG
(US10556902, No 74 | US11612599, Compound 74)
Show SMILES CC(N1CCN(CC1)c1ncc(cn1)C(C)(C)O)c1ccc2CCOc2c1
Show InChI InChI=1S/C21H28N4O2/c1-15(17-5-4-16-6-11-27-19(16)12-17)24-7-9-25(10-8-24)20-22-13-18(14-23-20)21(2,3)26/h4-5,12-15,26H,6-11H2,1-3H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430465
PNG
(US10556902, No 75 | US11612599, Compound 75)
Show SMILES CC(N1CCN(CC1)c1ncc(CO)cn1)c1ccc2CCOc2c1
Show InChI InChI=1S/C19H24N4O2/c1-14(17-3-2-16-4-9-25-18(16)10-17)22-5-7-23(8-6-22)19-20-11-15(13-24)12-21-19/h2-3,10-12,14,24H,4-9,13H2,1H3
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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430466
PNG
(US10556902, No 76 | US11612599, Compound 76)
Show SMILES CC(N1CCN(CC1)c1ncc(cn1)C1(O)CC1)c1ccc2CCOc2c1
Show InChI InChI=1S/C21H26N4O2/c1-15(17-3-2-16-4-11-27-19(16)12-17)24-7-9-25(10-8-24)20-22-13-18(14-23-20)21(26)5-6-21/h2-3,12-15,26H,4-11H2,1H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430467
PNG
(US10556902, No 77 | US11612599, Compound 77)
Show SMILES CC(N1CCN(CC1)c1ncc(cn1)C(O)C(F)(F)F)c1ccc2CCOc2c1
Show InChI InChI=1S/C20H23F3N4O2/c1-13(15-3-2-14-4-9-29-17(14)10-15)26-5-7-27(8-6-26)19-24-11-16(12-25-19)18(28)20(21,22)23/h2-3,10-13,18,28H,4-9H2,1H3
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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430469
PNG
(US10556902, No 78 | US11612599, Compound 78)
Show SMILES CC(C)C(O)c1cnc(nc1)N1CCN(CC1)C(C)c1ccc2CCOc2c1
Show InChI InChI=1S/C22H30N4O2/c1-15(2)21(27)19-13-23-22(24-14-19)26-9-7-25(8-10-26)16(3)18-5-4-17-6-11-28-20(17)12-18/h4-5,12-16,21,27H,6-11H2,1-3H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430470
PNG
(US10556902, No 79 | US11612599, Compound 79)
Show SMILES CC(N1CCN(CC1)c1ncc(cn1)C1(O)CCOC1)c1ccc2CCOc2c1
Show InChI InChI=1S/C22H28N4O3/c1-16(18-3-2-17-4-10-29-20(17)12-18)25-6-8-26(9-7-25)21-23-13-19(14-24-21)22(27)5-11-28-15-22/h2-3,12-14,16,27H,4-11,15H2,1H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430471
PNG
(US10556902, No 80 | US11612599, Compound 80)
Show SMILES CC(N1CCN(CC1)c1ncc(cn1)C1(O)CCCCC1)c1ccc2CCOc2c1
Show InChI InChI=1S/C24H32N4O2/c1-18(20-6-5-19-7-14-30-22(19)15-20)27-10-12-28(13-11-27)23-25-16-21(17-26-23)24(29)8-3-2-4-9-24/h5-6,15-18,29H,2-4,7-14H2,1H3
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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430473
PNG
(US10556902, No 81 | US11612599, Compound 81)
Show SMILES CC(N1CCN(CC1)c1ncc(cn1)C1(O)CCOCC1)c1ccc2CCOc2c1
Show InChI InChI=1S/C23H30N4O3/c1-17(19-3-2-18-4-11-30-21(18)14-19)26-7-9-27(10-8-26)22-24-15-20(16-25-22)23(28)5-12-29-13-6-23/h2-3,14-17,28H,4-13H2,1H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430474
PNG
(US10556902, No 82 | US11612599, Compound 82)
Show SMILES CC(N1CCN(CC1)c1ncc(cn1)C1(O)COC1)c1ccc2CCOc2c1
Show InChI InChI=1S/C21H26N4O3/c1-15(17-3-2-16-4-9-28-19(16)10-17)24-5-7-25(8-6-24)20-22-11-18(12-23-20)21(26)13-27-14-21/h2-3,10-12,15,26H,4-9,13-14H2,1H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430475
PNG
(US10556902, No 83 | US11612599, Compound 83)
Show SMILES CC(N1CCN(CC1)c1ncc(cn1)C(O)C(F)(F)F)c1ccc2cccnc2n1
Show InChI InChI=1S/C20H21F3N6O/c1-13(16-5-4-14-3-2-6-24-18(14)27-16)28-7-9-29(10-8-28)19-25-11-15(12-26-19)17(30)20(21,22)23/h2-6,11-13,17,30H,7-10H2,1H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430482
PNG
(US10556902, No 90 | US11612599, Compound 90)
Show SMILES CC(N1CCN(CC1)c1ncc(C)cn1)c1ccc2CCOc2c1
Show InChI InChI=1S/C19H24N4O/c1-14-12-20-19(21-13-14)23-8-6-22(7-9-23)15(2)17-4-3-16-5-10-24-18(16)11-17/h3-4,11-13,15H,5-10H2,1-2H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430487
PNG
(US10556902, No 95 | US11612599, Compound 95)
Show SMILES COC(=O)c1cnc(nc1)N1CCN(CC1)C(C)c1ccc2scnc2c1
Show InChI InChI=1S/C19H21N5O2S/c1-13(14-3-4-17-16(9-14)22-12-27-17)23-5-7-24(8-6-23)19-20-10-15(11-21-19)18(25)26-2/h3-4,9-13H,5-8H2,1-2H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430488
PNG
(US10556902, No 96 | US11612599, Compound 96)
Show SMILES CNC(=O)c1cnc(nc1)N1CCN(CC1)C(C)c1ccc2scnc2c1
Show InChI InChI=1S/C19H22N6OS/c1-13(14-3-4-17-16(9-14)23-12-27-17)24-5-7-25(8-6-24)19-21-10-15(11-22-19)18(26)20-2/h3-4,9-13H,5-8H2,1-2H3,(H,20,26)
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430489
PNG
(US10556902, No 97 | US11612599, Compound 97)
Show SMILES CC(N1CCN(CC1)c1ncc(cn1)C(=O)N(C)C)c1ccc2scnc2c1
Show InChI InChI=1S/C20H24N6OS/c1-14(15-4-5-18-17(10-15)23-13-28-18)25-6-8-26(9-7-25)20-21-11-16(12-22-20)19(27)24(2)3/h4-5,10-14H,6-9H2,1-3H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430490
PNG
(US10556902, No 98 | US11612599, Compound 98)
Show SMILES COC(=O)c1cnc(nc1)N1CCN(CC1)C(C)c1ccc2CCOc2c1
Show InChI InChI=1S/C20H24N4O3/c1-14(16-4-3-15-5-10-27-18(15)11-16)23-6-8-24(9-7-23)20-21-12-17(13-22-20)19(25)26-2/h3-4,11-14H,5-10H2,1-2H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430491
PNG
(US10556902, No 99 | US11612599, Compound 99)
Show SMILES CNC(=O)c1cnc(nc1)N1CCN(CC1)C(C)c1ccc2CCOc2c1
Show InChI InChI=1S/C20H25N5O2/c1-14(16-4-3-15-5-10-27-18(15)11-16)24-6-8-25(9-7-24)20-22-12-17(13-23-20)19(26)21-2/h3-4,11-14H,5-10H2,1-2H3,(H,21,26)
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430492
PNG
(US10556902, No 100 | US11612599, Compound 100)
Show SMILES CC(N1CCN(CC1)c1ncc(cn1)C(=O)N(C)C)c1ccc2CCOc2c1
Show InChI InChI=1S/C21H27N5O2/c1-15(17-5-4-16-6-11-28-19(16)12-17)25-7-9-26(10-8-25)21-22-13-18(14-23-21)20(27)24(2)3/h4-5,12-15H,6-11H2,1-3H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430493
PNG
(US10556902, No 101 | US11612599, Compound 101)
Show SMILES CC(N1CCN(CC1)c1nccc(n1)C(=O)N(C)C)c1ccc2CCOc2c1
Show InChI InChI=1S/C21H27N5O2/c1-15(17-5-4-16-7-13-28-19(16)14-17)25-9-11-26(12-10-25)21-22-8-6-18(23-21)20(27)24(2)3/h4-6,8,14-15H,7,9-13H2,1-3H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430494
PNG
(US10556902, No 102 | US11612599, Compound 102)
Show SMILES COC(=O)c1ccnc(n1)N1CCN(CC1)C(C)c1ccc2CCOc2c1
Show InChI InChI=1S/C20H24N4O3/c1-14(16-4-3-15-6-12-27-18(15)13-16)23-8-10-24(11-9-23)20-21-7-5-17(22-20)19(25)26-2/h3-5,7,13-14H,6,8-12H2,1-2H3
PDB

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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430495
PNG
(US10556902, No 103 | US11612599, Compound 103)
Show SMILES CNC(=O)c1ccnc(n1)N1CCN(CC1)C(C)c1ccc2CCOc2c1
Show InChI InChI=1S/C20H25N5O2/c1-14(16-4-3-15-6-12-27-18(15)13-16)24-8-10-25(11-9-24)20-22-7-5-17(23-20)19(26)21-2/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,21,26)
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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430496
PNG
(US10556902, No 104 | US11612599, Compound 104)
Show SMILES CC(N1CCN(CC1)c1ncc(cn1)C(C)(C)NC(C)=O)c1ccc2CCOc2c1
Show InChI InChI=1S/C23H31N5O2/c1-16(19-6-5-18-7-12-30-21(18)13-19)27-8-10-28(11-9-27)22-24-14-20(15-25-22)23(3,4)26-17(2)29/h5-6,13-16H,7-12H2,1-4H3,(H,26,29)
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TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430500
PNG
((R)—N-(5-(4-(1-(2,3-dihydrobenzofuran-6-yl)ethyl)p...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(C)=O)s1)c1ccc2CCOc2c1 |w:1.0|
Show InChI InChI=1S/C18H23N5O2S/c1-12(15-4-3-14-5-10-25-16(14)11-15)22-6-8-23(9-7-22)18-21-20-17(26-18)19-13(2)24/h3-4,11-12H,5-10H2,1-2H3,(H,19,20,24)
PDB

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UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
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US Patent
n/an/a<50n/an/an/an/an/an/a


TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
Protein O-GlcNAcase


(Homo sapiens (Human))
BDBM430502
PNG
(US10556902, No 110 | US11612599, Compound 110)
Show SMILES CC(N1CCN(CC1)c1nnc(CNC(C)=O)s1)c1ccc2CCOc2c1
Show InChI InChI=1S/C19H25N5O2S/c1-13(16-4-3-15-5-10-26-17(15)11-16)23-6-8-24(9-7-23)19-22-21-18(27-19)12-20-14(2)25/h3-4,11,13H,5-10,12H2,1-2H3,(H,20,25)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<50n/an/an/an/an/an/a


TBA

Assay Description
5 μl of the appropriate concentration of a solution of inhibitor in McIlvaine's Buffer (pH 6.5) in 2% DMSO (for a dose response curve calcul...


Citation and Details

BindingDB Entry DOI: 10.7270/Q28D015W
More data for this
Ligand-Target Pair
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