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Patent code US10336775

Compile Data Set for Download or QSAR
Found 181 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408167
PNG
((R)-2-(4-(1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)e...)
Show SMILES CC(N1CCN(CC1)c1ncc(s1)C(=O)N(C)CCN(C)C)c1ccc2OCCOc2c1
Show InChI InChI=1S/C23H33N5O3S/c1-17(18-5-6-19-20(15-18)31-14-13-30-19)27-9-11-28(12-10-27)23-24-16-21(32-23)22(29)26(4)8-7-25(2)3/h5-6,15-17H,7-14H2,1-4H3
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408262
PNG
((S)-6-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES CNC(=O)c1ccc(nc1)N1CCN(CC1)[C@@H](C)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H24N4O3/c1-14(15-3-5-17-18(11-15)27-13-26-17)23-7-9-24(10-8-23)19-6-4-16(12-22-19)20(25)21-2/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,21,25)/t14-/m0/s1
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408173
PNG
(US10336775, Example 77 | US10336775, Example 78)
Show SMILES CC(N1CCN(CC1)c1ncc(NC(C)=O)cn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H23N5O3/c1-13(15-3-4-17-18(9-15)27-12-26-17)23-5-7-24(8-6-23)19-20-10-16(11-21-19)22-14(2)25/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,22,25)
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408195
PNG
(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1ncc(cn1)C(=O)N(C)C)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H25N5O3/c1-14(15-4-5-17-18(10-15)28-13-27-17)24-6-8-25(9-7-24)20-21-11-16(12-22-20)19(26)23(2)3/h4-5,10-12,14H,6-9,13H2,1-3H3
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408202
PNG
(N-(5-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperaz...)
Show SMILES CCCC(=O)Nc1nnc(s1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H25N5O3S/c1-3-4-17(25)20-18-21-22-19(28-18)24-9-7-23(8-10-24)13(2)14-5-6-15-16(11-14)27-12-26-15/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,20,21,25)
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408218
PNG
(N-(2-(4-(1-(benzo[c][1,2,5]thiadiazol-5-yl)ethyl)p...)
Show SMILES CC(N1CCN(CC1)c1ncc(NC(C)=O)cn1)c1ccc2nsnc2c1
Show InChI InChI=1S/C18H21N7OS/c1-12(14-3-4-16-17(9-14)23-27-22-16)24-5-7-25(8-6-24)18-19-10-15(11-20-18)21-13(2)26/h3-4,9-12H,5-8H2,1-2H3,(H,21,26)
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408230
PNG
((S) 2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES CNC(=O)c1cnc(nc1)N1CCN(CC1)[C@@H](C)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H23N5O3/c1-13(14-3-4-16-17(9-14)27-12-26-16)23-5-7-24(8-6-23)19-21-10-15(11-22-19)18(25)20-2/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,20,25)/t13-/m0/s1
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408247
PNG
(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(=O)CCO)s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H23N5O4S/c1-12(13-2-3-14-15(10-13)27-11-26-14)22-5-7-23(8-6-22)18-21-20-17(28-18)19-16(25)4-9-24/h2-3,10,12,24H,4-9,11H2,1H3,(H,19,20,25)
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408263
PNG
((S)-6-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES C[C@H](N1CCN(CC1)c1ccc(cn1)C(=O)N(C)C)c1ccc2OCOc2c1
Show InChI InChI=1S/C21H26N4O3/c1-15(16-4-6-18-19(12-16)28-14-27-18)24-8-10-25(11-9-24)20-7-5-17(13-22-20)21(26)23(2)3/h4-7,12-13,15H,8-11,14H2,1-3H3/t15-/m0/s1
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408265
PNG
(3-(2-(4-((S)-1-(benzo[d][1,3]dioxol-5-yl)ethyl)pip...)
Show SMILES C[C@H](N1CCN(CC1)c1ncc(cn1)C1(O)CCOC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C21H26N4O4/c1-15(16-2-3-18-19(10-16)29-14-28-18)24-5-7-25(8-6-24)20-22-11-17(12-23-20)21(26)4-9-27-13-21/h2-3,10-12,15,26H,4-9,13-14H2,1H3/t15-,21?/m0/s1
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408269
PNG
((S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES C[C@H](N1CCN(CC1)c1nc2CCN(Cc2s1)S(C)(=O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H26N4O4S2/c1-14(15-3-4-17-18(11-15)28-13-27-17)22-7-9-23(10-8-22)20-21-16-5-6-24(30(2,25)26)12-19(16)29-20/h3-4,11,14H,5-10,12-13H2,1-2H3/t14-/m0/s1
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408152
PNG
((R)-2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES CNC(=O)c1csc(n1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H22N4O3S/c1-12(13-3-4-15-16(9-13)25-11-24-15)21-5-7-22(8-6-21)18-20-14(10-26-18)17(23)19-2/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,19,23)
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408168
PNG
(N-(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperaz...)
Show SMILES CC(N1CCN(CC1)c1ncc(NC(C)=O)cn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H23N5O3/c1-13(15-3-4-17-18(9-15)27-12-26-17)23-5-7-24(8-6-23)19-20-10-16(11-21-19)22-14(2)25/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,22,25)
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408193
PNG
(N-(5-(4-(1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)et...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(C)=O)s1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C18H23N5O3S/c1-12(14-3-4-15-16(11-14)26-10-9-25-15)22-5-7-23(8-6-22)18-21-20-17(27-18)19-13(2)24/h3-4,11-12H,5-10H2,1-2H3,(H,19,20,24)
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408203
PNG
(N-(5-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperaz...)
Show SMILES CC(C)C(=O)Nc1nnc(s1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H25N5O3S/c1-12(2)17(25)20-18-21-22-19(28-18)24-8-6-23(7-9-24)13(3)14-4-5-15-16(10-14)27-11-26-15/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,20,21,25)
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408205
PNG
(2-(4-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethyl...)
Show SMILES CNC(=O)c1cnc(s1)N1CCN(CC1)C(C)c1ccc2OCCOc2c1
Show InChI InChI=1S/C19H24N4O3S/c1-13(14-3-4-15-16(11-14)26-10-9-25-15)22-5-7-23(8-6-22)19-21-12-17(27-19)18(24)20-2/h3-4,11-13H,5-10H2,1-2H3,(H,20,24)
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408210
PNG
(N-(5-(4-(1-(benzo[d]thiazol-5-yl)ethyl)piperazin-1...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(C)=O)s1)c1ccc2scnc2c1
Show InChI InChI=1S/C17H20N6OS2/c1-11(13-3-4-15-14(9-13)18-10-25-15)22-5-7-23(8-6-22)17-21-20-16(26-17)19-12(2)24/h3-4,9-11H,5-8H2,1-2H3,(H,19,20,24)
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408273
PNG
((S)-1-(2-(4-((S)-1-(benzo[d][1,3]dioxol-5-yl)ethyl...)
Show SMILES CC(O)c1cnc(nc1)N1CCN(CC1)[C@@H](C)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H24N4O3/c1-13(15-3-4-17-18(9-15)26-12-25-17)22-5-7-23(8-6-22)19-20-10-16(11-21-19)14(2)24/h3-4,9-11,13-14,24H,5-8,12H2,1-2H3/t13-,14?/m0/s1
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408133
PNG
(5-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1cnc(C)s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H21N3O2S/c1-12(14-3-4-15-16(9-14)22-11-21-15)19-5-7-20(8-6-19)17-10-18-13(2)23-17/h3-4,9-10,12H,5-8,11H2,1-2H3
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408201
PNG
(N-(5-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperaz...)
Show SMILES CCC(=O)Nc1nnc(s1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H23N5O3S/c1-3-16(24)19-17-20-21-18(27-17)23-8-6-22(7-9-23)12(2)13-4-5-14-15(10-13)26-11-25-14/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,19,20,24)
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408219
PNG
(N-(5-(4-(1-(benzo[c][1,2,5]thiadiazol-5-yl)ethyl)p...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(C)=O)s1)c1ccc2nsnc2c1
Show InChI InChI=1S/C16H19N7OS2/c1-10(12-3-4-13-14(9-12)21-26-20-13)22-5-7-23(8-6-22)16-19-18-15(25-16)17-11(2)24/h3-4,9-10H,5-8H2,1-2H3,(H,17,18,24)
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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408244
PNG
(1-(2-(4-((S)-1-(benzo[d][1,3]dioxol-5-yl)ethyl)pip...)
Show SMILES CC(O)c1cnc(nc1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H24N4O3/c1-13(15-3-4-17-18(9-15)26-12-25-17)22-5-7-23(8-6-22)19-20-10-16(11-21-19)14(2)24/h3-4,9-11,13-14,24H,5-8,12H2,1-2H3
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408266
PNG
((S)-2-(6-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pip...)
Show SMILES C[C@H](N1CCN(CC1)c1ccc(cn1)C(C)(C)O)c1ccc2OCOc2c1
Show InChI InChI=1S/C21H27N3O3/c1-15(16-4-6-18-19(12-16)27-14-26-18)23-8-10-24(11-9-23)20-7-5-17(13-22-20)21(2,3)25/h4-7,12-13,15,25H,8-11,14H2,1-3H3/t15-/m0/s1
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408140
PNG
(N-(5-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperaz...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(C)=O)s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H21N5O3S/c1-11(13-3-4-14-15(9-13)25-10-24-14)21-5-7-22(8-6-21)17-20-19-16(26-17)18-12(2)23/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,19,23)
PDB

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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408204
PNG
(N-(5-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperaz...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(=O)C2CC2)s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H23N5O3S/c1-12(14-4-5-15-16(10-14)27-11-26-15)23-6-8-24(9-7-23)19-22-21-18(28-19)20-17(25)13-2-3-13/h4-5,10,12-13H,2-3,6-9,11H2,1H3,(H,20,21,25)
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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408253
PNG
((S)-N-(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pip...)
Show SMILES C[C@H](N1CCN(CC1)c1ncc(NC(=O)CCO)cn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H25N5O4/c1-14(15-2-3-17-18(10-15)29-13-28-17)24-5-7-25(8-6-24)20-21-11-16(12-22-20)23-19(27)4-9-26/h2-3,10-12,14,26H,4-9,13H2,1H3,(H,23,27)/t14-/m0/s1
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408271
PNG
((S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES COc1cnc(nc1)N1CCN(CC1)[C@@H](C)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H22N4O3/c1-13(14-3-4-16-17(9-14)25-12-24-16)21-5-7-22(8-6-21)18-19-10-15(23-2)11-20-18/h3-4,9-11,13H,5-8,12H2,1-2H3/t13-/m0/s1
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408273
PNG
((S)-1-(2-(4-((S)-1-(benzo[d][1,3]dioxol-5-yl)ethyl...)
Show SMILES CC(O)c1cnc(nc1)N1CCN(CC1)[C@@H](C)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H24N4O3/c1-13(15-3-4-17-18(9-15)26-12-25-17)22-5-7-23(8-6-22)19-20-10-16(11-21-19)14(2)24/h3-4,9-11,13-14,24H,5-8,12H2,1-2H3/t13-,14?/m0/s1
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408144
PNG
(2-(4-(1-(Benzo[d](1,3)dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1ncc(s1)C(N)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H20N4O3S/c1-11(12-2-3-13-14(8-12)24-10-23-13)20-4-6-21(7-5-20)17-19-9-15(25-17)16(18)22/h2-3,8-9,11H,4-7,10H2,1H3,(H2,18,22)
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408189
PNG
(N-(2-(4-(1-(quinoxalin-6-yl)ethyl)piperazin-1-yl)p...)
Show SMILES CC(N1CCN(CC1)c1ncc(NC(C)=O)cn1)c1ccc2nccnc2c1
Show InChI InChI=1S/C20H23N7O/c1-14(16-3-4-18-19(11-16)22-6-5-21-18)26-7-9-27(10-8-26)20-23-12-17(13-24-20)25-15(2)28/h3-6,11-14H,7-10H2,1-2H3,(H,25,28)
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408194
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CNC(=O)c1cnc(nc1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H23N5O3/c1-13(14-3-4-16-17(9-14)27-12-26-16)23-5-7-24(8-6-23)19-21-10-15(11-22-19)18(25)20-2/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,20,25)
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408224
PNG
(N-(5-(4-(1-(2,3-dihydrobenzofuran-6-yl)ethyl)piper...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(C)=O)s1)c1ccc2CCOc2c1
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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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408228
PNG
((S)-5-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES C[C@H](N1CCN(CC1)c1nnc(N)s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C15H19N5O2S/c1-10(11-2-3-12-13(8-11)22-9-21-12)19-4-6-20(7-5-19)15-18-17-14(16)23-15/h2-3,8,10H,4-7,9H2,1H3,(H2,16,17)/t10-/m0/s1
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408229
PNG
((S)-N-(5-(4-(1-(benzo[d]thiazol-5-yl)ethyl)piperaz...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(C)=O)s1)c1ccc2scnc2c1
Show InChI InChI=1S/C17H20N6OS2/c1-11(13-3-4-15-14(9-13)18-10-25-15)22-5-7-23(8-6-22)17-21-20-16(26-17)19-12(2)24/h3-4,9-11H,5-8H2,1-2H3,(H,19,20,24)
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408246
PNG
(N-(5-(4-(1-(2-methylbenzo[d]thiazol-5-yl)ethyl)pip...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(C)=O)s1)c1ccc2sc(C)nc2c1
Show InChI InChI=1S/C18H22N6OS2/c1-11(14-4-5-16-15(10-14)20-13(3)26-16)23-6-8-24(9-7-23)18-22-21-17(27-18)19-12(2)25/h4-5,10-11H,6-9H2,1-3H3,(H,19,21,25)
PDB

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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408251
PNG
((S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES C[C@H](N1CCN(CC1)c1ncc(Br)cn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H19BrN4O2/c1-12(13-2-3-15-16(8-13)24-11-23-15)21-4-6-22(7-5-21)17-19-9-14(18)10-20-17/h2-3,8-10,12H,4-7,11H2,1H3/t12-/m0/s1
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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408260
PNG
((S)-1-(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pip...)
Show SMILES C[C@H](N1CCN(CC1)c1nc2CCN(Cc2s1)C(C)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C21H26N4O3S/c1-14(16-3-4-18-19(11-16)28-13-27-18)23-7-9-24(10-8-23)21-22-17-5-6-25(15(2)26)12-20(17)29-21/h3-4,11,14H,5-10,12-13H2,1-2H3/t14-/m0/s1
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408261
PNG
((S)-(6-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piper...)
Show SMILES C[C@H](N1CCN(CC1)c1ccc(CO)cn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H23N3O3/c1-14(16-3-4-17-18(10-16)25-13-24-17)21-6-8-22(9-7-21)19-5-2-15(12-23)11-20-19/h2-5,10-11,14,23H,6-9,12-13H2,1H3/t14-/m0/s1
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408270
PNG
((S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES C[C@H](N1CCN(CC1)c1nc2CCN(C)Cc2s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H26N4O2S/c1-14(15-3-4-17-18(11-15)26-13-25-17)23-7-9-24(10-8-23)20-21-16-5-6-22(2)12-19(16)27-20/h3-4,11,14H,5-10,12-13H2,1-2H3/t14-/m0/s1
PDB

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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408148
PNG
((2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin...)
Show SMILES CC(N1CCN(CC1)c1ncc(CO)cn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H22N4O3/c1-13(15-2-3-16-17(8-15)25-12-24-16)21-4-6-22(7-5-21)18-19-9-14(11-23)10-20-18/h2-3,8-10,13,23H,4-7,11-12H2,1H3
PDB

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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408161
PNG
((R)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES CNC(=O)c1cnc(s1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H22N4O3S/c1-12(13-3-4-14-15(9-13)25-11-24-14)21-5-7-22(8-6-21)18-20-10-16(26-18)17(23)19-2/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,19,23)
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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408185
PNG
((R)-N-(5-(4-(1-(quinoxalin-6-yl)ethyl)piperazin-1-...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(C)=O)s1)c1ccc2nccnc2c1
Show InChI InChI=1S/C18H21N7OS/c1-12(14-3-4-15-16(11-14)20-6-5-19-15)24-7-9-25(10-8-24)18-23-22-17(27-18)21-13(2)26/h3-6,11-12H,7-10H2,1-2H3,(H,21,22,26)
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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408212
PNG
(N-(2-(4-(1-(benzo[d]thiazol-5-yl)ethyl)piperazin-1...)
Show SMILES CC(N1CCN(CC1)c1ncc(NC(C)=O)cn1)c1ccc2scnc2c1
Show InChI InChI=1S/C19H22N6OS/c1-13(15-3-4-18-17(9-15)22-12-27-18)24-5-7-25(8-6-24)19-20-10-16(11-21-19)23-14(2)26/h3-4,9-13H,5-8H2,1-2H3,(H,23,26)
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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408225
PNG
(N-(2-(4-(1-(2,3-dihydrobenzofuran-6-yl)ethyl)piper...)
Show SMILES CC(N1CCN(CC1)c1ncc(NC(C)=O)cn1)c1ccc2CCOc2c1
Show InChI InChI=1S/C20H25N5O2/c1-14(17-4-3-16-5-10-27-19(16)11-17)24-6-8-25(9-7-24)20-21-12-18(13-22-20)23-15(2)26/h3-4,11-14H,5-10H2,1-2H3,(H,23,26)
PDB

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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408243
PNG
((S)-1-(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pip...)
Show SMILES CC(N1CCN(CC1)c1ncc(cn1)C(C)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H22N4O3/c1-13(15-3-4-17-18(9-15)26-12-25-17)22-5-7-23(8-6-22)19-20-10-16(11-21-19)14(2)24/h3-4,9-11,13H,5-8,12H2,1-2H3
PDB

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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408249
PNG
((S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES C[C@H](N1CCN(CC1)c1ncc(F)cn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H19FN4O2/c1-12(13-2-3-15-16(8-13)24-11-23-15)21-4-6-22(7-5-21)17-19-9-14(18)10-20-17/h2-3,8-10,12H,4-7,11H2,1H3/t12-/m0/s1
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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408252
PNG
((S)-2-(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pip...)
Show SMILES C[C@H](N1CCN(CC1)c1ncc(cn1)C(C)(C)O)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H26N4O3/c1-14(15-4-5-17-18(10-15)27-13-26-17)23-6-8-24(9-7-23)19-21-11-16(12-22-19)20(2,3)25/h4-5,10-12,14,25H,6-9,13H2,1-3H3/t14-/m0/s1
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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408268
PNG
((S)-1-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-4-(5-(me...)
Show SMILES CSc1ccc(nc1)N1CCN(CC1)[C@@H](C)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H23N3O2S/c1-14(15-3-5-17-18(11-15)24-13-23-17)21-7-9-22(10-8-21)19-6-4-16(25-2)12-20-19/h3-6,11-12,14H,7-10,13H2,1-2H3/t14-/m0/s1
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408159
PNG
((R)-2-(4-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)e...)
Show SMILES CC(N1CCN(CC1)c1ncc(s1)C(=O)N(C)C)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H26N4O3S/c1-14(15-4-5-16-17(12-15)27-11-10-26-16)23-6-8-24(9-7-23)20-21-13-18(28-20)19(25)22(2)3/h4-5,12-14H,6-11H2,1-3H3
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408164
PNG
((R)-N-(5-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pip...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(C)=O)s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H21N5O3S/c1-11(13-3-4-14-15(9-13)25-10-24-14)21-5-7-22(8-6-21)17-20-19-16(26-17)18-12(2)23/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,19,23)
PDB

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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408182
PNG
(N-(5-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperaz...)
Show SMILES CC(N1CCN(CC1)c1cnc(NC(C)=O)s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H22N4O3S/c1-12(14-3-4-15-16(9-14)25-11-24-15)21-5-7-22(8-6-21)17-10-19-18(26-17)20-13(2)23/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,19,20,23)
PDB

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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408233
PNG
((S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES C[C@H](N1CCN(CC1)c1ncc(cn1)C(=O)N(C)C)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H25N5O3/c1-14(15-4-5-17-18(10-15)28-13-27-17)24-6-8-25(9-7-24)20-21-11-16(12-22-20)19(26)23(2)3/h4-5,10-12,14H,6-9,13H2,1-3H3/t14-/m0/s1
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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408256
PNG
((S)-1-(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pip...)
Show SMILES C[C@H](N1CCN(CC1)c1ncc(cn1)C1(O)CCCCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C23H30N4O3/c1-17(18-5-6-20-21(13-18)30-16-29-20)26-9-11-27(12-10-26)22-24-14-19(15-25-22)23(28)7-3-2-4-8-23/h5-6,13-15,17,28H,2-4,7-12,16H2,1H3/t17-/m0/s1
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408258
PNG
((S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES C[C@H](N1CCN(CC1)c1nc2CCNCc2s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H24N4O2S/c1-13(14-2-3-16-17(10-14)25-12-24-16)22-6-8-23(9-7-22)19-21-15-4-5-20-11-18(15)26-19/h2-3,10,13,20H,4-9,11-12H2,1H3/t13-/m0/s1
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408264
PNG
((S)-4-(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pip...)
Show SMILES C[C@H](N1CCN(CC1)c1ncc(cn1)C1(O)CCOCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H28N4O4/c1-16(17-2-3-19-20(12-17)30-15-29-19)25-6-8-26(9-7-25)21-23-13-18(14-24-21)22(27)4-10-28-11-5-22/h2-3,12-14,16,27H,4-11,15H2,1H3/t16-/m0/s1
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408130
PNG
((R)-2-(4-(1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)e...)
Show SMILES CC(N1CCN(CC1)c1ncccn1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C18H22N4O2/c1-14(15-3-4-16-17(13-15)24-12-11-23-16)21-7-9-22(10-8-21)18-19-5-2-6-20-18/h2-6,13-14H,7-12H2,1H3
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408153
PNG
((R)-2-(4-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)e...)
Show SMILES CNC(=O)c1csc(n1)N1CCN(CC1)C(C)c1ccc2OCCOc2c1
Show InChI InChI=1S/C19H24N4O3S/c1-13(14-3-4-16-17(11-14)26-10-9-25-16)22-5-7-23(8-6-22)19-21-15(12-27-19)18(24)20-2/h3-4,11-13H,5-10H2,1-2H3,(H,20,24)
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408176
PNG
(N-((2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES CC(N1CCN(CC1)c1ncc(CN(C)C(C)=O)s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H26N4O3S/c1-14(16-4-5-18-19(10-16)27-13-26-18)23-6-8-24(9-7-23)20-21-11-17(28-20)12-22(3)15(2)25/h4-5,10-11,14H,6-9,12-13H2,1-3H3
PDB

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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408177
PNG
((R)-(2-(4-(1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)...)
Show SMILES CC(N1CCN(CC1)c1ncc(s1)C(=O)N1CCC(O)CC1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C23H30N4O4S/c1-16(17-2-3-19-20(14-17)31-13-12-30-19)25-8-10-27(11-9-25)23-24-15-21(32-23)22(29)26-6-4-18(28)5-7-26/h2-3,14-16,18,28H,4-13H2,1H3
PDB

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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408181
PNG
(N-((2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES CC(N1CCN(CC1)c1ncc(CNC(C)=O)s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H24N4O3S/c1-13(15-3-4-17-18(9-15)26-12-25-17)22-5-7-23(8-6-22)19-21-11-16(27-19)10-20-14(2)24/h3-4,9,11,13H,5-8,10,12H2,1-2H3,(H,20,24)
PDB

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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408192
PNG
(N-(2-(4-(1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)et...)
Show SMILES CC(N1CCN(CC1)c1ncc(NC(C)=O)cn1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H25N5O3/c1-14(16-3-4-18-19(11-16)28-10-9-27-18)24-5-7-25(8-6-24)20-21-12-17(13-22-20)23-15(2)26/h3-4,11-14H,5-10H2,1-2H3,(H,23,26)
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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408245
PNG
(N-(2-(4-(1-(2-methylbenzo[d]thiazol-5-yl)ethyl)pip...)
Show SMILES CC(N1CCN(CC1)c1ncc(NC(C)=O)cn1)c1ccc2sc(C)nc2c1
Show InChI InChI=1S/C20H24N6OS/c1-13(16-4-5-19-18(10-16)24-15(3)28-19)25-6-8-26(9-7-25)20-21-11-17(12-22-20)23-14(2)27/h4-5,10-13H,6-9H2,1-3H3,(H,23,27)
PDB

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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408257
PNG
((S)-1-(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pip...)
Show SMILES C[C@H](N1CCN(CC1)c1ncc(cn1)C1(O)CCCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H28N4O3/c1-16(17-4-5-19-20(12-17)29-15-28-19)25-8-10-26(11-9-25)21-23-13-18(14-24-21)22(27)6-2-3-7-22/h4-5,12-14,16,27H,2-3,6-11,15H2,1H3/t16-/m0/s1
PDB

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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408170
PNG
((R)-(2-(4-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)...)
Show SMILES CC(N1CCN(CC1)c1ncc(s1)C(=O)N1CCN(C)CC1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C23H31N5O3S/c1-17(18-3-4-19-20(15-18)31-14-13-30-19)26-9-11-28(12-10-26)23-24-16-21(32-23)22(29)27-7-5-25(2)6-8-27/h3-4,15-17H,5-14H2,1-2H3
PDB

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n/an/a<50n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408135
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES COc1ccnc(n1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H22N4O3/c1-13(14-3-4-15-16(11-14)25-12-24-15)21-7-9-22(10-8-21)18-19-6-5-17(20-18)23-2/h3-6,11,13H,7-10,12H2,1-2H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408150
PNG
(N-(4-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperaz...)
Show SMILES CC(N1CCN(CC1)c1ccnc(NC(C)=O)n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H23N5O3/c1-13(15-3-4-16-17(11-15)27-12-26-16)23-7-9-24(10-8-23)18-5-6-20-19(22-18)21-14(2)25/h3-6,11,13H,7-10,12H2,1-2H3,(H,20,21,22,25)
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408154
PNG
(6-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1ccc(N)cn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H22N4O2/c1-13(14-2-4-16-17(10-14)24-12-23-16)21-6-8-22(9-7-21)18-5-3-15(19)11-20-18/h2-5,10-11,13H,6-9,12,19H2,1H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408158
PNG
((S)-2-(4-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)e...)
Show SMILES CCNC(=O)c1cnc(s1)N1CCN(CC1)C(C)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H26N4O3S/c1-3-21-19(25)18-13-22-20(28-18)24-8-6-23(7-9-24)14(2)15-4-5-16-17(12-15)27-11-10-26-16/h4-5,12-14H,3,6-11H2,1-2H3,(H,21,25)
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408188
PNG
(N-methyl-2-(4-(1-(quinoxalin-6-yl)ethyl)piperazin-...)
Show SMILES CNC(=O)c1cnc(s1)N1CCN(CC1)C(C)c1ccc2nccnc2c1
Show InChI InChI=1S/C19H22N6OS/c1-13(14-3-4-15-16(11-14)22-6-5-21-15)24-7-9-25(10-8-24)19-23-12-17(27-19)18(26)20-2/h3-6,11-13H,7-10H2,1-2H3,(H,20,26)
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408207
PNG
(5-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1nnc(NCc2ccc(Cl)cc2)s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H24ClN5O2S/c1-15(17-4-7-19-20(12-17)30-14-29-19)27-8-10-28(11-9-27)22-26-25-21(31-22)24-13-16-2-5-18(23)6-3-16/h2-7,12,15H,8-11,13-14H2,1H3,(H,24,25)
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408208
PNG
(5-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CCNc1nnc(s1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H23N5O2S/c1-3-18-16-19-20-17(25-16)22-8-6-21(7-9-22)12(2)13-4-5-14-15(10-13)24-11-23-14/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,18,19)
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408209
PNG
(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1ncc2cc[nH]c2n1)c1ccc2OCOc2c1
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408248
PNG
(6-(1-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)eth...)
Show SMILES CC(N1CCN(CC1)c1ncc(F)cn1)c1ccc2nccnc2c1
Show InChI InChI=1S/C18H19FN6/c1-13(14-2-3-16-17(10-14)21-5-4-20-16)24-6-8-25(9-7-24)18-22-11-15(19)12-23-18/h2-5,10-13H,6-9H2,1H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408107
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H20N4O2/c1-13(14-3-4-15-16(11-14)23-12-22-15)20-7-9-21(10-8-20)17-18-5-2-6-19-17/h2-6,11,13H,7-10,12H2,1H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408121
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1cnc(Cl)cn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H19ClN4O2/c1-12(13-2-3-14-15(8-13)24-11-23-14)21-4-6-22(7-5-21)17-10-19-16(18)9-20-17/h2-3,8-10,12H,4-7,11H2,1H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408137
PNG
(5-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1nnc(N)s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C15H19N5O2S/c1-10(11-2-3-12-13(8-11)22-9-21-12)19-4-6-20(7-5-19)15-18-17-14(16)23-15/h2-3,8,10H,4-7,9H2,1H3,(H2,16,17)
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408142
PNG
(4-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1ccnc(N)n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H21N5O2/c1-12(13-2-3-14-15(10-13)24-11-23-14)21-6-8-22(9-7-21)16-4-5-19-17(18)20-16/h2-5,10,12H,6-9,11H2,1H3,(H2,18,19,20)
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408155
PNG
((R)-2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES CCNC(=O)c1cnc(s1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H24N4O3S/c1-3-20-18(24)17-11-21-19(27-17)23-8-6-22(7-9-23)13(2)14-4-5-15-16(10-14)26-12-25-15/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,20,24)
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408178
PNG
(N-(5-(4-(1-(quinoxalin-6-yl)ethyl)piperazin-1-yl)-...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(C)=O)s1)c1ccc2nccnc2c1
Show InChI InChI=1S/C18H21N7OS/c1-12(14-3-4-15-16(11-14)20-6-5-19-15)24-7-9-25(10-8-24)18-23-22-17(27-18)21-13(2)26/h3-6,11-12H,7-10H2,1-2H3,(H,21,22,26)
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408206
PNG
(N-(5-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperaz...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(=O)c2ccc(Cl)cc2)s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H22ClN5O3S/c1-14(16-4-7-18-19(12-16)31-13-30-18)27-8-10-28(11-9-27)22-26-25-21(32-22)24-20(29)15-2-5-17(23)6-3-15/h2-7,12,14H,8-11,13H2,1H3,(H,24,25,29)
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408216
PNG
(N-(2-(4-(1-(quinolin-7-yl)ethyl)piperazin-1-yl)pyr...)
Show SMILES CC(N1CCN(CC1)c1ncc(NC(C)=O)cn1)c1ccc2cccnc2c1
Show InChI InChI=1S/C21H24N6O/c1-15(18-6-5-17-4-3-7-22-20(17)12-18)26-8-10-27(11-9-26)21-23-13-19(14-24-21)25-16(2)28/h3-7,12-15H,8-11H2,1-2H3,(H,25,28)
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408275
PNG
(1-(4-Bromo-3-methoxyphenyl)-4-(1-(2,3-dihydrobenzo...)
Show SMILES COc1nc(ccc1Br)N1CCN(CC1)C(C)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H24BrN3O3/c1-14(15-3-5-17-18(13-15)27-12-11-26-17)23-7-9-24(10-8-23)19-6-4-16(21)20(22-19)25-2/h3-6,13-14H,7-12H2,1-2H3
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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408104
PNG
(-5-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin...)
Show SMILES CC(N1CCN(CC1)c1cnc(I)nc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H19IN4O2/c1-12(13-2-3-15-16(8-13)24-11-23-15)21-4-6-22(7-5-21)14-9-19-17(18)20-10-14/h2-3,8-10,12H,4-7,11H2,1H3
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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408125
PNG
((2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin...)
Show SMILES CC(N1CCN(CC1)c1nc(CO)cs1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H21N3O3S/c1-12(13-2-3-15-16(8-13)23-11-22-15)19-4-6-20(7-5-19)17-18-14(9-21)10-24-17/h2-3,8,10,12,21H,4-7,9,11H2,1H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408134
PNG
(5-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1ncc(Cl)cn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H19ClN4O2/c1-12(13-2-3-15-16(8-13)24-11-23-15)21-4-6-22(7-5-21)17-19-9-14(18)10-20-17/h2-3,8-10,12H,4-7,11H2,1H3
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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408136
PNG
(4-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1ccnc(Cl)n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H19ClN4O2/c1-12(13-2-3-14-15(10-13)24-11-23-14)21-6-8-22(9-7-21)16-4-5-19-17(18)20-16/h2-5,10,12H,6-9,11H2,1H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408191
PNG
((S)-7-(1-(4-(pyrimidin-2-yl)piperazin-1-yl)ethyl)q...)
Show SMILES CC(N1CCN(CC1)c1ncccn1)c1ccc2cccnc2c1
Show InChI InChI=1S/C19H21N5/c1-15(17-6-5-16-4-2-7-20-18(16)14-17)23-10-12-24(13-11-23)19-21-8-3-9-22-19/h2-9,14-15H,10-13H2,1H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408126
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CNC(=O)c1csc(n1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H22N4O3S/c1-12(13-3-4-15-16(9-13)25-11-24-15)21-5-7-22(8-6-21)18-20-14(10-26-18)17(23)19-2/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,19,23)
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408127
PNG
(3-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1ccc(Cl)nn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H19ClN4O2/c1-12(13-2-3-14-15(10-13)24-11-23-14)21-6-8-22(9-7-21)17-5-4-16(18)19-20-17/h2-5,10,12H,6-9,11H2,1H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408163
PNG
((2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin...)
Show SMILES CC(N1CCN(CC1)c1ncc(s1)C(=O)N1CCOCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C21H26N4O4S/c1-15(16-2-3-17-18(12-16)29-14-28-17)23-4-6-25(7-5-23)21-22-13-19(30-21)20(26)24-8-10-27-11-9-24/h2-3,12-13,15H,4-11,14H2,1H3
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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408200
PNG
((S)-6-(1-(4-(5-(trifluoromethyl)pyrimidin-2-yl)pip...)
Show SMILES CC(N1CCN(CC1)c1ncc(cn1)C(F)(F)F)c1ccc2nccnc2c1
Show InChI InChI=1S/C19H19F3N6/c1-13(14-2-3-16-17(10-14)24-5-4-23-16)27-6-8-28(9-7-27)18-25-11-15(12-26-18)19(20,21)22/h2-5,10-13H,6-9H2,1H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408237
PNG
((S)-5-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES CCNc1nnc(s1)N1CCN(CC1)[C@@H](C)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H23N5O2S/c1-3-18-16-19-20-17(25-16)22-8-6-21(7-9-22)12(2)13-4-5-14-15(10-13)24-11-23-14/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,18,19)/t12-/m0/s1
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408259
PNG
(Ethyl (S)-6-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)...)
Show SMILES CCOC(=O)c1ccc(nc1)N1CCN(CC1)[C@@H](C)c1ccc2OCOc2c1
Show InChI InChI=1S/C21H25N3O4/c1-3-26-21(25)17-5-7-20(22-13-17)24-10-8-23(9-11-24)15(2)16-4-6-18-19(12-16)28-14-27-18/h4-7,12-13,15H,3,8-11,14H2,1-2H3/t15-/m0/s1
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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408267
PNG
((S)-1-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-4-(5-bro...)
Show SMILES C[C@H](N1CCN(CC1)c1ccc(Br)cn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H20BrN3O2/c1-13(14-2-4-16-17(10-14)24-12-23-16)21-6-8-22(9-7-21)18-5-3-15(19)11-20-18/h2-5,10-11,13H,6-9,12H2,1H3/t13-/m0/s1
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408276
PNG
(1-(1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)ethyl)-4...)
Show SMILES COc1cccc(n1)N1CCN(CC1)C(C)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H25N3O3/c1-15(16-6-7-17-18(14-16)26-13-12-25-17)22-8-10-23(11-9-22)19-4-3-5-20(21-19)24-2/h3-7,14-15H,8-13H2,1-2H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408114
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1nc(cs1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H19N3O4S/c1-11(12-2-3-14-15(8-12)24-10-23-14)19-4-6-20(7-5-19)17-18-13(9-25-17)16(21)22/h2-3,8-9,11H,4-7,10H2,1H3,(H,21,22)
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408147
PNG
(Ethyl 2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipe...)
Show SMILES CCOC(=O)c1cnc(nc1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H24N4O4/c1-3-26-19(25)16-11-21-20(22-12-16)24-8-6-23(7-9-24)14(2)15-4-5-17-18(10-15)28-13-27-17/h4-5,10-12,14H,3,6-9,13H2,1-2H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408175
PNG
(4-((2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES CC(N1CCN(CC1)c1ncc(CN2CCOCC2)s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C21H28N4O3S/c1-16(17-2-3-19-20(12-17)28-15-27-19)24-4-6-25(7-5-24)21-22-13-18(29-21)14-23-8-10-26-11-9-23/h2-3,12-13,16H,4-11,14-15H2,1H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408199
PNG
(6-(1-(4-(5-ethylpyrimidin-2-yl)piperazin-1-yl)ethy...)
Show SMILES CCc1cnc(nc1)N1CCN(CC1)C(C)c1ccc2nccnc2c1
Show InChI InChI=1S/C20H24N6/c1-3-16-13-23-20(24-14-16)26-10-8-25(9-11-26)15(2)17-4-5-18-19(12-17)22-7-6-21-18/h4-7,12-15H,3,8-11H2,1-2H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408211
PNG
(N-(5-(4-(1-(quinolin-7-yl)ethyl)piperazin-1-yl)-1,...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(C)=O)s1)c1ccc2cccnc2c1
Show InChI InChI=1S/C19H22N6OS/c1-13(16-6-5-15-4-3-7-20-17(15)12-16)24-8-10-25(11-9-24)19-23-22-18(27-19)21-14(2)26/h3-7,12-13H,8-11H2,1-2H3,(H,21,22,26)
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408242
PNG
((S)-1-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-4-(5-(tr...)
Show SMILES CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H20F3N3O2/c1-13(14-2-4-16-17(10-14)27-12-26-16)24-6-8-25(9-7-24)18-5-3-15(11-23-18)19(20,21)22/h2-5,10-11,13H,6-9,12H2,1H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408119
PNG
(N-(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperaz...)
Show SMILES CC(N1CCN(CC1)c1nccc(NC(C)=O)n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H23N5O3/c1-13(15-3-4-16-17(11-15)27-12-26-16)23-7-9-24(10-8-23)19-20-6-5-18(22-19)21-14(2)25/h3-6,11,13H,7-10,12H2,1-2H3,(H,20,21,22,25)
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408120
PNG
(4-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1cc(Cl)ncn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H19ClN4O2/c1-12(13-2-3-14-15(8-13)24-11-23-14)21-4-6-22(7-5-21)17-9-16(18)19-10-20-17/h2-3,8-10,12H,4-7,11H2,1H3
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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408132
PNG
(5-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1ncc(C)s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H21N3O2S/c1-12-10-18-17(23-12)20-7-5-19(6-8-20)13(2)14-3-4-15-16(9-14)22-11-21-15/h3-4,9-10,13H,5-8,11H2,1-2H3
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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408143
PNG
(2-(4-(1-(Benzo[d](1,3)dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1ncc(s1)C(=O)N(C)C)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H24N4O3S/c1-13(14-4-5-15-16(10-14)26-12-25-15)22-6-8-23(9-7-22)19-20-11-17(27-19)18(24)21(2)3/h4-5,10-11,13H,6-9,12H2,1-3H3
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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408146
PNG
(2-(4-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethyl...)
Show SMILES CNC(=O)c1csc(n1)N1CCN(CC1)C(C)c1ccc2OCCOc2c1
Show InChI InChI=1S/C19H24N4O3S/c1-13(14-3-4-16-17(11-14)26-10-9-25-16)22-5-7-23(8-6-22)19-21-15(12-27-19)18(24)20-2/h3-4,11-13H,5-10H2,1-2H3,(H,20,24)
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408151
PNG
(1-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-4-(5-nitropy...)
Show SMILES CC(N1CCN(CC1)c1ccc(cn1)N(O)O)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H22N4O4/c1-13(14-2-4-16-17(10-14)26-12-25-16)20-6-8-21(9-7-20)18-5-3-15(11-19-18)22(23)24/h2-5,10-11,13,23-24H,6-9,12H2,1H3
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408179
PNG
(6-(1-(4-(pyrimidin-2-yl)piperazin-1-yl)ethyl)quino...)
Show SMILES CC(N1CCN(CC1)c1ncccn1)c1ccc2nccnc2c1
Show InChI InChI=1S/C18H20N6/c1-14(15-3-4-16-17(13-15)20-8-7-19-16)23-9-11-24(12-10-23)18-21-5-2-6-22-18/h2-8,13-14H,9-12H2,1H3
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408215
PNG
(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1ncc2ccccc2n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C21H22N4O2/c1-15(16-6-7-19-20(12-16)27-14-26-19)24-8-10-25(11-9-24)21-22-13-17-4-2-3-5-18(17)23-21/h2-7,12-13,15H,8-11,14H2,1H3
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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408238
PNG
((S)-5-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES CCCNc1nnc(s1)N1CCN(CC1)[C@@H](C)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H25N5O2S/c1-3-6-19-17-20-21-18(26-17)23-9-7-22(8-10-23)13(2)14-4-5-15-16(11-14)25-12-24-15/h4-5,11,13H,3,6-10,12H2,1-2H3,(H,19,20)/t13-/m0/s1
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408240
PNG
(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1nc2CCNC(=O)c2s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H22N4O3S/c1-12(13-2-3-15-16(10-13)26-11-25-15)22-6-8-23(9-7-22)19-21-14-4-5-20-18(24)17(14)27-19/h2-3,10,12H,4-9,11H2,1H3,(H,20,24)
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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408272
PNG
((S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES COc1cnc(nc1)N1CCN(CC1)C(C)c1ccc2nccnc2c1
Show InChI InChI=1S/C19H22N6O/c1-14(15-3-4-17-18(11-15)21-6-5-20-17)24-7-9-25(10-8-24)19-22-12-16(26-2)13-23-19/h3-6,11-14H,7-10H2,1-2H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408118
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1nccc(N)n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H21N5O2/c1-12(13-2-3-14-15(10-13)24-11-23-14)21-6-8-22(9-7-21)17-19-5-4-16(18)20-17/h2-5,10,12H,6-9,11H2,1H3,(H2,18,19,20)
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408124
PNG
((2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin...)
Show SMILES CC(N1CCN(CC1)c1ncc(CO)s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H21N3O3S/c1-12(13-2-3-15-16(8-13)23-11-22-15)19-4-6-20(7-5-19)17-18-9-14(10-21)24-17/h2-3,8-9,12,21H,4-7,10-11H2,1H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408131
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1nc(cs1)C(N)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H20N4O3S/c1-11(12-2-3-14-15(8-12)24-10-23-14)20-4-6-21(7-5-20)17-19-13(9-25-17)16(18)22/h2-3,8-9,11H,4-7,10H2,1H3,(H2,18,22)
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408139
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(C)NC(=O)c1cnc(s1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H26N4O3S/c1-13(2)22-19(25)18-11-21-20(28-18)24-8-6-23(7-9-24)14(3)15-4-5-16-17(10-15)27-12-26-16/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,22,25)
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408169
PNG
((2-(4-(1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)ethy...)
Show SMILES CC(N1CCN(CC1)c1ncc(s1)C(=O)N1CCC(O)CC1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C23H30N4O4S/c1-16(17-2-3-19-20(14-17)31-13-12-30-19)25-8-10-27(11-9-25)23-24-15-21(32-23)22(29)26-6-4-18(28)5-7-26/h2-3,14-16,18,28H,4-13H2,1H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408180
PNG
((2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin...)
Show SMILES CC(N1CCN(CC1)c1ncc(CN)s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H22N4O2S/c1-12(13-2-3-15-16(8-13)23-11-22-15)20-4-6-21(7-5-20)17-19-10-14(9-18)24-17/h2-3,8,10,12H,4-7,9,11,18H2,1H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408235
PNG
((S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES C[C@H](N1CCN(CC1)c1nc2cnccc2s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H20N4O2S/c1-13(14-2-3-16-17(10-14)25-12-24-16)22-6-8-23(9-7-22)19-21-15-11-20-5-4-18(15)26-19/h2-5,10-11,13H,6-9,12H2,1H3/t13-/m0/s1
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408111
PNG
((R)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES CC(N1CCN(CC1)c1nc(C)cs1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H21N3O2S/c1-12-10-23-17(18-12)20-7-5-19(6-8-20)13(2)14-3-4-15-16(9-14)22-11-21-15/h3-4,9-10,13H,5-8,11H2,1-2H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408122
PNG
((R)-2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES CC(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H20N4O2/c1-13(14-3-4-15-16(11-14)23-12-22-15)20-7-9-21(10-8-20)17-18-5-2-6-19-17/h2-6,11,13H,7-10,12H2,1H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408157
PNG
((R)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES CC(N1CCN(CC1)c1ncc(s1)C(=O)N(C)C)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H24N4O3S/c1-13(14-4-5-15-16(10-14)26-12-25-15)22-6-8-23(9-7-22)19-20-11-17(27-19)18(24)21(2)3/h4-5,10-11,13H,6-9,12H2,1-3H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408187
PNG
(7-(1-(4-(pyrimidin-2-yl)piperazin-1-yl)ethyl)quino...)
Show SMILES CC(N1CCN(CC1)c1ncccn1)c1ccc2cccnc2c1
Show InChI InChI=1S/C19H21N5/c1-15(17-6-5-16-4-2-7-20-18(16)14-17)23-10-12-24(13-11-23)19-21-8-3-9-22-19/h2-9,14-15H,10-13H2,1H3
PDB

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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408198
PNG
(6-(1-(4-(5-Methylpyrimidin-2-yl)piperazin-1-yl)eth...)
Show SMILES CC(N1CCN(CC1)c1ncc(C)cn1)c1ccc2nccnc2c1
Show InChI InChI=1S/C19H22N6/c1-14-12-22-19(23-13-14)25-9-7-24(8-10-25)15(2)16-3-4-17-18(11-16)21-6-5-20-17/h3-6,11-13,15H,7-10H2,1-2H3
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n/an/a 125n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408226
PNG
(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1nc2ccccc2s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H21N3O2S/c1-14(15-6-7-17-18(12-15)25-13-24-17)22-8-10-23(11-9-22)20-21-16-4-2-3-5-19(16)26-20/h2-7,12,14H,8-11,13H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408031
PNG
(2-(1-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperidin-...)
Show SMILES CC(N1CCC(CC1)c1nc(C)cs1)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H22N2O2S/c1-12-10-23-18(19-12)14-5-7-20(8-6-14)13(2)15-3-4-16-17(9-15)22-11-21-16/h3-4,9-10,13-14H,5-8,11H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408149
PNG
(2-(4-(1-(2,3-dihydrobenzofuran-5-yl)ethyl)piperazi...)
Show SMILES CC(N1CCN(CC1)c1ncccn1)c1ccc2OCCc2c1
Show InChI InChI=1S/C18H22N4O/c1-14(15-3-4-17-16(13-15)5-12-23-17)21-8-10-22(11-9-21)18-19-6-2-7-20-18/h2-4,6-7,13-14H,5,8-12H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408128
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(C)NC(=O)c1csc(n1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H26N4O3S/c1-13(2)21-19(25)16-11-28-20(22-16)24-8-6-23(7-9-24)14(3)15-4-5-17-18(10-15)27-12-26-17/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,21,25)
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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408103
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1nccs1)c1ccc2OCOc2c1
Show InChI InChI=1S/C16H19N3O2S/c1-12(13-2-3-14-15(10-13)21-11-20-14)18-5-7-19(8-6-18)16-17-4-9-22-16/h2-4,9-10,12H,5-8,11H2,1H3
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408239
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1nc(C)cs1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H21N3O2S/c1-12-10-23-17(18-12)20-7-5-19(6-8-20)13(2)14-3-4-15-16(9-14)22-11-21-15/h3-4,9-10,13H,5-8,11H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408214
PNG
(N-(5-(4-(1-(benzo[d]thiazol-5-yl)ethyl)piperazin-1...)
Show SMILES CC(N1CCN(CC1)c1ncc(NC(C)=O)cn1)c1ccc2OC(F)(F)Oc2c1
Show InChI InChI=1S/C19H21F2N5O3/c1-12(14-3-4-16-17(9-14)29-19(20,21)28-16)25-5-7-26(8-6-25)18-22-10-15(11-23-18)24-13(2)27/h3-4,9-12H,5-8H2,1-2H3,(H,24,27)
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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408166
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1ncc(N)cn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H21N5O2/c1-12(13-2-3-15-16(8-13)24-11-23-15)21-4-6-22(7-5-21)17-19-9-14(18)10-20-17/h2-3,8-10,12H,4-7,11,18H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408141
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CCCNc1ccnc(n1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H27N5O2/c1-3-7-21-19-6-8-22-20(23-19)25-11-9-24(10-12-25)15(2)16-4-5-17-18(13-16)27-14-26-17/h4-6,8,13,15H,3,7,9-12,14H2,1-2H3,(H,21,22,23)
PDB

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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408110
PNG
(1-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)-4-(5-methylp...)
Show SMILES CC(N1CCN(CC1)c1ccc(C)cn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H23N3O2/c1-14-3-6-19(20-12-14)22-9-7-21(8-10-22)15(2)16-4-5-17-18(11-16)24-13-23-17/h3-6,11-12,15H,7-10,13H2,1-2H3
PDB

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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408108
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(C)c1csc(n1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H25N3O2S/c1-13(2)16-11-25-19(20-16)22-8-6-21(7-9-22)14(3)15-4-5-17-18(10-15)24-12-23-17/h4-5,10-11,13-14H,6-9,12H2,1-3H3
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408138
PNG
(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1nc(cs1)C(=O)N(C)C)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H24N4O3S/c1-13(14-4-5-16-17(10-14)26-12-25-16)22-6-8-23(9-7-22)19-20-15(11-27-19)18(24)21(2)3/h4-5,10-11,13H,6-9,12H2,1-3H3
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408032
PNG
(2-(1-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperidin-...)
Show SMILES CC(N1CCC(CC1)c1nnc(C)o1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H21N3O3/c1-11(14-3-4-15-16(9-14)22-10-21-15)20-7-5-13(6-8-20)17-19-18-12(2)23-17/h3-4,9,11,13H,5-8,10H2,1-2H3
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408222
PNG
(N-(2-(4-(1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7...)
Show SMILES CC(N1CCN(CC1)c1ncc(NC(C)=O)cn1)c1ccc2OCCCOc2c1
Show InChI InChI=1S/C21H27N5O3/c1-15(17-4-5-19-20(12-17)29-11-3-10-28-19)25-6-8-26(9-7-25)21-22-13-18(14-23-21)24-16(2)27/h4-5,12-15H,3,6-11H2,1-2H3,(H,24,27)
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408117
PNG
(1-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)-4-(6-methylp...)
Show SMILES CC(N1CCN(CC1)c1cccc(C)n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H23N3O2/c1-14-4-3-5-19(20-14)22-10-8-21(9-11-22)15(2)16-6-7-17-18(12-16)24-13-23-17/h3-7,12,15H,8-11,13H2,1-2H3
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408105
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1nccc(C)n1)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H22N4O2/c1-13-5-6-19-18(20-13)22-9-7-21(8-10-22)14(2)15-3-4-16-17(11-15)24-12-23-16/h3-6,11,14H,7-10,12H2,1-2H3
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408116
PNG
(1-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)-4-(6-chlorop...)
Show SMILES CC(N1CCN(CC1)c1ccc(Cl)cn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H20ClN3O2/c1-13(14-2-4-16-17(10-14)24-12-23-16)21-6-8-22(9-7-21)18-5-3-15(19)11-20-18/h2-5,10-11,13H,6-9,12H2,1H3
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408115
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CCc1csc(n1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H23N3O2S/c1-3-15-11-24-18(19-15)21-8-6-20(7-9-21)13(2)14-4-5-16-17(10-14)23-12-22-16/h4-5,10-11,13H,3,6-9,12H2,1-2H3
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408109
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1nc(cs1)C(F)(F)F)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H18F3N3O2S/c1-11(12-2-3-13-14(8-12)25-10-24-13)22-4-6-23(7-5-22)16-21-15(9-26-16)17(18,19)20/h2-3,8-9,11H,4-7,10H2,1H3
PDB

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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408100
PNG
(5-(1-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperidin-...)
Show SMILES CC(N1CCC(CC1)c1nc(C)no1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H21N3O3/c1-11(14-3-4-15-16(9-14)22-10-21-15)20-7-5-13(6-8-20)17-18-12(2)19-23-17/h3-4,9,11,13H,5-8,10H2,1-2H3
PDB

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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408241
PNG
(6-(1-(4-(5-(trifluoromethyl)pyridin-2-yl)piperazin...)
Show SMILES CC(N1CCN(CC1)c1ccc(cn1)C(F)(F)F)c1ccc2nccnc2c1
Show InChI InChI=1S/C20H20F3N5/c1-14(15-2-4-17-18(12-15)25-7-6-24-17)27-8-10-28(11-9-27)19-5-3-16(13-26-19)20(21,22)23/h2-7,12-14H,8-11H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408113
PNG
(Ethyl 2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipe...)
Show SMILES CCOC(=O)c1csc(n1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H23N3O4S/c1-3-24-18(23)15-11-27-19(20-15)22-8-6-21(7-9-22)13(2)14-4-5-16-17(10-14)26-12-25-16/h4-5,10-11,13H,3,6-9,12H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408213
PNG
(N-(5-(4-(1-(benzo[d]thiazol-5-yl)ethyl)piperazin-1...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(C)=O)s1)c1ccc2OC(F)(F)Oc2c1
Show InChI InChI=1S/C17H19F2N5O3S/c1-10(12-3-4-13-14(9-12)27-17(18,19)26-13)23-5-7-24(8-6-23)16-22-21-15(28-16)20-11(2)25/h3-4,9-10H,5-8H2,1-2H3,(H,20,21,25)
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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408129
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1nc(cs1)C(=O)NC1CCCCC1)c1ccc2OCOc2c1
Show InChI InChI=1S/C23H30N4O3S/c1-16(17-7-8-20-21(13-17)30-15-29-20)26-9-11-27(12-10-26)23-25-19(14-31-23)22(28)24-18-5-3-2-4-6-18/h7-8,13-14,16,18H,2-6,9-12,15H2,1H3,(H,24,28)
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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408232
PNG
((S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES C[C@H](N1CCN(CC1)c1nc2ccccc2s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H21N3O2S/c1-14(15-6-7-17-18(12-15)25-13-24-17)22-8-10-23(11-9-22)20-21-16-4-2-3-5-19(16)26-20/h2-7,12,14H,8-11,13H2,1H3/t14-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408101
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1nc(cs1)-c1ccccc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H23N3O2S/c1-16(18-7-8-20-21(13-18)27-15-26-20)24-9-11-25(12-10-24)22-23-19(14-28-22)17-5-3-2-4-6-17/h2-8,13-14,16H,9-12,15H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408106
PNG
(1-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)-4-(pyridin-2...)
Show SMILES CC(N1CCN(CC1)c1ccccn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H21N3O2/c1-14(15-5-6-16-17(12-15)23-13-22-16)20-8-10-21(11-9-20)18-4-2-3-7-19-18/h2-7,12,14H,8-11,13H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408145
PNG
(2-(4-(1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)ethyl...)
Show SMILES CC(N1CCN(CC1)c1nc(cs1)C(N)=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C18H22N4O3S/c1-12(13-2-3-15-16(10-13)25-9-8-24-15)21-4-6-22(7-5-21)18-20-14(11-26-18)17(19)23/h2-3,10-12H,4-9H2,1H3,(H2,19,23)
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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408186
PNG
(Ethyl-2-(4-(1-(quinoxalin-6-yl)ethyl)piperazin-1-y...)
Show SMILES CCOC(=O)c1cnc(s1)N1CCN(CC1)C(C)c1ccc2nccnc2c1
Show InChI InChI=1S/C20H23N5O2S/c1-3-27-19(26)18-13-23-20(28-18)25-10-8-24(9-11-25)14(2)15-4-5-16-17(12-15)22-7-6-21-16/h4-7,12-14H,3,8-11H2,1-2H3
PDB

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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408196
PNG
(N-(5-(4-(1-(4-chloroquinolin-7-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(C)=O)s1)c1ccc2c(Cl)ccnc2c1
Show InChI InChI=1S/C19H21ClN6OS/c1-12(14-3-4-15-16(20)5-6-21-17(15)11-14)25-7-9-26(10-8-25)19-24-23-18(28-19)22-13(2)27/h3-6,11-12H,7-10H2,1-2H3,(H,22,23,27)
PDB

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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408190
PNG
(6-(1-(4-(4-(trifluoromethyl)pyrimidin-2-yl)piperaz...)
Show SMILES CC(N1CCN(CC1)c1nccc(n1)C(F)(F)F)c1ccc2nccnc2c1
Show InChI InChI=1S/C19H19F3N6/c1-13(14-2-3-15-16(12-14)24-7-6-23-15)27-8-10-28(11-9-27)18-25-5-4-17(26-18)19(20,21)22/h2-7,12-13H,8-11H2,1H3
PDB

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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408197
PNG
(N-(2-(4-(1-(4-chloroquinolin-7-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1ncc(NC(C)=O)cn1)c1ccc2c(Cl)ccnc2c1
Show InChI InChI=1S/C21H23ClN6O/c1-14(16-3-4-18-19(22)5-6-23-20(18)11-16)27-7-9-28(10-8-27)21-24-12-17(13-25-21)26-15(2)29/h3-6,11-14H,7-10H2,1-2H3,(H,26,29)
PDB

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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408236
PNG
(2-(4-(1-(quinoxalin-6-yl)ethyl)piperazin-1-yl)thia...)
Show SMILES CC(N1CCN(CC1)c1nc2cnccc2s1)c1ccc2NCNc2c1
Show InChI InChI=1S/C19H22N6S/c1-13(14-2-3-15-16(10-14)22-12-21-15)24-6-8-25(9-7-24)19-23-17-11-20-5-4-18(17)26-19/h2-5,10-11,13,21-22H,6-9,12H2,1H3
PDB

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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408254
PNG
(2-(4-(1-(quinoxalin-6-yl)ethyl)piperazin-1-yl)-6,7...)
Show SMILES CC(N1CCN(CC1)c1nc2CCNC(=O)c2s1)c1ccc2nccnc2c1
Show InChI InChI=1S/C20H22N6OS/c1-13(14-2-3-15-17(12-14)22-7-6-21-15)25-8-10-26(11-9-25)20-24-16-4-5-23-19(27)18(16)28-20/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H,23,27)
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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408123
PNG
(Ethyl 2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipe...)
Show SMILES CCOC(=O)c1cnc(s1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H23N3O4S/c1-3-24-18(23)17-11-20-19(27-17)22-8-6-21(7-9-22)13(2)14-4-5-15-16(10-14)26-12-25-15/h4-5,10-11,13H,3,6-9,12H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408220
PNG
(N-(5-(4-(1-(benzo[c][1,2,5]thiadiazol-5-yl)ethyl)p...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(C)=O)s1)c1ccc2cc(Cl)cnc2c1
Show InChI InChI=1S/C19H21ClN6OS/c1-12(14-3-4-15-9-16(20)11-21-17(15)10-14)25-5-7-26(8-6-25)19-24-23-18(28-19)22-13(2)27/h3-4,9-12H,5-8H2,1-2H3,(H,22,23,27)
PDB

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n/an/a 5.50E+3n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408184
PNG
(N-(5-(4-(1-(4-chloro-3-methoxyphenyl)ethyl)piperaz...)
Show SMILES COc1cc(ccc1Cl)C(C)N1CCN(CC1)c1nnc(CC(C)=O)s1
Show InChI InChI=1S/C18H23ClN4O2S/c1-12(24)10-17-20-21-18(26-17)23-8-6-22(7-9-23)13(2)14-4-5-15(19)16(11-14)25-3/h4-5,11,13H,6-10H2,1-3H3
PDB

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n/an/a 5.50E+3n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408155
PNG
((R)-2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES CCNC(=O)c1cnc(s1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H24N4O3S/c1-3-20-18(24)17-11-21-19(27-17)23-8-6-22(7-9-23)13(2)14-4-5-15-16(10-14)26-12-25-15/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,20,24)
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408102
PNG
(2-(4-(1-(Benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES COc1ccc(cc1)-c1csc(n1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C23H25N3O3S/c1-16(18-5-8-21-22(13-18)29-15-28-21)25-9-11-26(12-10-25)23-24-20(14-30-23)17-3-6-19(27-2)7-4-17/h3-8,13-14,16H,9-12,15H2,1-2H3
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408173
PNG
(US10336775, Example 77 | US10336775, Example 78)
Show SMILES CC(N1CCN(CC1)c1ncc(NC(C)=O)cn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C19H23N5O3/c1-13(15-3-4-17-18(9-15)27-12-26-17)23-5-7-24(8-6-23)19-20-10-16(11-21-19)22-14(2)25/h3-4,9-11,13H,5-8,12H2,1-2H3,(H,22,25)
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408159
PNG
((R)-2-(4-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)e...)
Show SMILES CC(N1CCN(CC1)c1ncc(s1)C(=O)N(C)C)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H26N4O3S/c1-14(15-4-5-16-17(12-15)27-11-10-26-16)23-6-8-24(9-7-23)20-21-13-18(28-20)19(25)22(2)3/h4-5,12-14H,6-11H2,1-3H3
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408255
PNG
(N-(5-(4-(1-(benzo[d]thiazol-6-yl)ethyl)piperazin-1...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(C)=O)s1)c1ccc2ncsc2c1
Show InChI InChI=1S/C17H20N6OS2/c1-11(13-3-4-14-15(9-13)25-10-18-14)22-5-7-23(8-6-22)17-21-20-16(26-17)19-12(2)24/h3-4,9-11H,5-8H2,1-2H3,(H,19,20,24)
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408234
PNG
((S)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES C[C@H](N1CCN(CC1)c1nc2ccccc2[nH]1)c1ccc2OCOc2c1
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408231
PNG
(2-(4-(1-(quinoxalin-6-yl)ethyl)piperazin-1-yl)benz...)
Show SMILES CC(N1CCN(CC1)c1nc2ccccc2s1)c1ccc2nccnc2c1
Show InChI InChI=1S/C21H21N5S/c1-15(16-6-7-17-19(14-16)23-9-8-22-17)25-10-12-26(13-11-25)21-24-18-4-2-3-5-20(18)27-21/h2-9,14-15H,10-13H2,1H3
PDB

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n/an/a 5.50E+3n/an/an/an/an/an/a



Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408223
PNG
(N-(2-(4-(1-(quinolin-8-yl)ethyl)piperazin-1-yl)pyr...)
Show SMILES CC(N1CCN(CC1)c1ncc(NC(C)=O)cn1)c1cccc2cccnc12
Show InChI InChI=1S/C21H24N6O/c1-15(19-7-3-5-17-6-4-8-22-20(17)19)26-9-11-27(12-10-26)21-23-13-18(14-24-21)25-16(2)28/h3-8,13-15H,9-12H2,1-2H3,(H,25,28)
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408217
PNG
(N-(2-(4-(1-(benzo[c][1,2,5]oxadiazol-5-yl)ethyl)pi...)
Show SMILES CC(N1CCN(CC1)c1ncc(NC(C)=O)cn1)c1ccc2nonc2c1
Show InChI InChI=1S/C18H21N7O2/c1-12(14-3-4-16-17(9-14)23-27-22-16)24-5-7-25(8-6-24)18-19-10-15(11-20-18)21-13(2)26/h3-4,9-12H,5-8H2,1-2H3,(H,21,26)
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408170
PNG
((R)-(2-(4-(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)...)
Show SMILES CC(N1CCN(CC1)c1ncc(s1)C(=O)N1CCN(C)CC1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C23H31N5O3S/c1-17(18-3-4-19-20(15-18)31-14-13-30-19)26-9-11-28(12-10-26)23-24-16-21(32-23)22(29)27-7-5-25(2)6-8-27/h3-4,15-17H,5-14H2,1-2H3
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408161
PNG
((R)-2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pipera...)
Show SMILES CNC(=O)c1cnc(s1)N1CCN(CC1)C(C)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H22N4O3S/c1-12(13-3-4-14-15(9-13)25-11-24-14)21-5-7-22(8-6-21)18-20-10-16(26-18)17(23)19-2/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,19,23)
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408277
PNG
(3-Methyl-7-(1-(4-(pyrimidin-2-yl)piperazin-1-yl)et...)
Show SMILES CC(N1CCN(CC1)c1ncccn1)c1ccc2cc(C)cnc2c1
Show InChI InChI=1S/C20H23N5/c1-15-12-18-5-4-17(13-19(18)23-14-15)16(2)24-8-10-25(11-9-24)20-21-6-3-7-22-20/h3-7,12-14,16H,8-11H2,1-2H3
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408221
PNG
(N-(2-(4-(1-(3-chloroquinolin-7-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1ncc(NC(C)=O)cn1)c1ccc2cc(Cl)cnc2c1
Show InChI InChI=1S/C21H23ClN6O/c1-14(16-3-4-17-9-18(22)11-23-20(17)10-16)27-5-7-28(8-6-27)21-24-12-19(13-25-21)26-15(2)29/h3-4,9-14H,5-8H2,1-2H3,(H,26,29)
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408099
PNG
(1-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)-4-(4-methyl-...)
Show SMILES CC(N1CCC(CC1)n1cc(C)cn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H23N3O2/c1-13-10-19-21(11-13)16-5-7-20(8-6-16)14(2)15-3-4-17-18(9-15)23-12-22-17/h3-4,9-11,14,16H,5-8,12H2,1-2H3
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408227
PNG
(N-(2-(4-(1-(quinolin-3-yl)ethyl)piperazin-1-yl)pyr...)
Show SMILES CC(N1CCN(CC1)c1ncc(NC(C)=O)cn1)c1cnc2ccccc2c1
Show InChI InChI=1S/C21H24N6O/c1-15(18-11-17-5-3-4-6-20(17)22-12-18)26-7-9-27(10-8-26)21-23-13-19(14-24-21)25-16(2)28/h3-6,11-15H,7-10H2,1-2H3,(H,25,28)
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408183
PNG
(N-(2-(4-(1-(3,4-Dichlorophenyl)ethyl)piperazin-1-y...)
Show SMILES CC(N1CCN(CC1)c1cnc(NC(C)=O)s1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H20Cl2N4OS/c1-11(13-3-4-14(18)15(19)9-13)22-5-7-23(8-6-22)16-10-20-17(25-16)21-12(2)24/h3-4,9-11H,5-8H2,1-2H3,(H,20,21,24)
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408112
PNG
(2-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)piperazin-...)
Show SMILES CC(N1CCN(CC1)c1nc(cs1)C(C)(C)C)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H27N3O2S/c1-14(15-5-6-16-17(11-15)25-13-24-16)22-7-9-23(10-8-22)19-21-18(12-26-19)20(2,3)4/h5-6,11-12,14H,7-10,13H2,1-4H3
PDB

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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408250
PNG
(US10336775, Example 174)
Show SMILES CC(N1CCN(CC1)c1ncc(NC(C)=O)cn1)c1ccc2ncsc2c1
Show InChI InChI=1S/C19H22N6OS/c1-13(15-3-4-17-18(9-15)27-12-22-17)24-5-7-25(8-6-24)19-20-10-16(11-21-19)23-14(2)26/h3-4,9-13H,5-8H2,1-2H3,(H,23,26)
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408164
PNG
((R)-N-(5-(4-(1-(benzo[d][1,3]dioxol-5-yl)ethyl)pip...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(C)=O)s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C17H21N5O3S/c1-11(13-3-4-14-15(9-13)25-10-24-14)21-5-7-22(8-6-21)17-20-19-16(26-17)18-12(2)23/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,19,23)
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))		BDBM408172
PNG
(N-(5-(4-(1-(3,4-difluorophenyl)ethyl)piperazin-1-y...)
Show SMILES CC(N1CCN(CC1)c1nnc(NC(C)=O)s1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H19F2N5OS/c1-10(12-3-4-13(17)14(18)9-12)22-5-7-23(8-6-22)16-21-20-15(25-16)19-11(2)24/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,24)
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Asceneuron SA

US Patent


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...

US Patent US10336775 (2019)


BindingDB Entry DOI: 10.7270/Q27083SC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%