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Compile Data Set for Download or QSAR

Found 185 hits of ic50 data for polymerid = 4424   
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))
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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UniProtKB/SwissProt

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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)

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
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)

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)

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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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)

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)

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)
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)

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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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)

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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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)

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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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)

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)

More data for this
Ligand-Target Pair
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
PDB

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PC sid
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US Patent
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)

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)
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)

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)

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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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)

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)

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)

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)

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)

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)
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)

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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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)

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)
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)

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)
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)

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)
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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)

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
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)

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)
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)

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)
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)

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)
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)

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)
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)

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)
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)

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)
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)

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)
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)

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)
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)

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)
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)

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)

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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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)

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
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)

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)

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
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)

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
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)

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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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)

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
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)

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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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)

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)

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)
PDB

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UniChem
US Patent
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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)

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
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)

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
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)

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
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)

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
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)

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
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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)

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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UniChem
US Patent
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)

More data for this
Ligand-Target Pair
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