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Patent code US10913733

Compile Data Set for Download or QSAR
Found 54 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481715
PNG
(US10913733, Example 26)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc(CF)cc2)s1
Show InChI InChI=1S/C19H22FN3OS/c1-14(24)22-19-21-12-18(25-19)13-23-8-6-16(7-9-23)10-15-2-4-17(11-20)5-3-15/h2-5,10,12H,6-9,11,13H2,1H3,(H,21,22,24)
PDB

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0.0750n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481707
PNG
(N-(5-((4-(4-(N,N- dimethylsulfamoyl) benzylidene)p...)
Show SMILES CN(C)S(=O)(=O)c1ccc(C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1
Show InChI InChI=1S/C20H26N4O3S2/c1-15(25)22-20-21-13-18(28-20)14-24-10-8-17(9-11-24)12-16-4-6-19(7-5-16)29(26,27)23(2)3/h4-7,12-13H,8-11,14H2,1-3H3,(H,21,22,25)
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0.0950n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481720
PNG
(US10913733, Example 31)
Show SMILES CN(C)C(=O)c1ccc(C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1
Show InChI InChI=1S/C21H26N4O2S/c1-15(26)23-21-22-13-19(28-21)14-25-10-8-17(9-11-25)12-16-4-6-18(7-5-16)20(27)24(2)3/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,23,26)
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0.117n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481715
PNG
(US10913733, Example 26)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc(CF)cc2)s1
Show InChI InChI=1S/C19H22FN3OS/c1-14(24)22-19-21-12-18(25-19)13-23-8-6-16(7-9-23)10-15-2-4-17(11-20)5-3-15/h2-5,10,12H,6-9,11,13H2,1H3,(H,21,22,24)
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0.167n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481739
PNG
(US10913733, Example 50)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc(CCO)cc2)s1
Show InChI InChI=1S/C20H25N3O2S/c1-15(25)22-20-21-13-19(26-20)14-23-9-6-18(7-10-23)12-17-4-2-16(3-5-17)8-11-24/h2-5,12-13,24H,6-11,14H2,1H3,(H,21,22,25)
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0.241n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481711
PNG
(N-(5-((4-((1-oxoisoindolin- 5-yl)methylene)piperid...)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc3C(=O)NCc3c2)s1
Show InChI InChI=1S/C20H22N4O2S/c1-13(25)23-20-22-11-17(27-20)12-24-6-4-14(5-7-24)8-15-2-3-18-16(9-15)10-21-19(18)26/h2-3,8-9,11H,4-7,10,12H2,1H3,(H,21,26)(H,22,23,25)
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0.268n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481727
PNG
((S,Z)-N-(5-((4-(4- methoxybenzylidene)-2- methylpi...)
Show SMILES COc1ccc(\C=C2\CCN(Cc3cnc(NC(C)=O)s3)[C@@H](C)C2)cc1
Show InChI InChI=1S/C20H25N3O2S/c1-14-10-17(11-16-4-6-18(25-3)7-5-16)8-9-23(14)13-19-12-21-20(26-19)22-15(2)24/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,21,22,24)/b17-11-/t14-/m0/s1
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0.287n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481698
PNG
(4-((1-((2-acetamidothiazol- 5-yl)methyl)-piperidin...)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc(cc2)C(N)=O)s1
Show InChI InChI=1S/C19H22N4O2S/c1-13(24)22-19-21-11-17(26-19)12-23-8-6-15(7-9-23)10-14-2-4-16(5-3-14)18(20)25/h2-5,10-11H,6-9,12H2,1H3,(H2,20,25)(H,21,22,24)
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0.294n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481718
PNG
(US10913733, Example 29)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc(cc2)C(O)=O)s1
Show InChI InChI=1S/C19H21N3O3S/c1-13(23)21-19-20-11-17(26-19)12-22-8-6-15(7-9-22)10-14-2-4-16(5-3-14)18(24)25/h2-5,10-11H,6-9,12H2,1H3,(H,24,25)(H,20,21,23)
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0.324n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481697
PNG
(N-(5-((4-((1H-pyrazol-4- yl)methylene)piperidin-1-...)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2cn[nH]c2)s1
Show InChI InChI=1S/C15H19N5OS/c1-11(21)19-15-16-9-14(22-15)10-20-4-2-12(3-5-20)6-13-7-17-18-8-13/h6-9H,2-5,10H2,1H3,(H,17,18)(H,16,19,21)
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0.387n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481741
PNG
(US10913733, Example 52 | US10913733, Example 54)
Show SMILES C[C@H]1CC(CCN1Cc1cnc(NC(C)=O)s1)=Cc1ccc(F)nc1
Show InChI InChI=1S/C18H21FN4OS/c1-12-7-14(8-15-3-4-17(19)20-9-15)5-6-23(12)11-16-10-21-18(25-16)22-13(2)24/h3-4,8-10,12H,5-7,11H2,1-2H3,(H,21,22,24)/t12-/m0/s1
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0.389n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481600
PNG
(US10913733, Example 1)
Show SMILES COc1ccc(C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1OC
Show InChI InChI=1S/C20H25N3O3S/c1-14(24)22-20-21-12-17(27-20)13-23-8-6-15(7-9-23)10-16-4-5-18(25-2)19(11-16)26-3/h4-5,10-12H,6-9,13H2,1-3H3,(H,21,22,24)
PDB

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0.392n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481716
PNG
(US10913733, Example 27)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc(CCF)cc2)s1
Show InChI InChI=1S/C20H24FN3OS/c1-15(25)23-20-22-13-19(26-20)14-24-10-7-18(8-11-24)12-17-4-2-16(3-5-17)6-9-21/h2-5,12-13H,6-11,14H2,1H3,(H,22,23,25)
PDB

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0.411n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481708
PNG
(N-(5-{[4-(1H-indol-5- ylmethylidene)piperidin-1- y...)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc3[nH]ccc3c2)s1
Show InChI InChI=1S/C20H22N4OS/c1-14(25)23-20-22-12-18(26-20)13-24-8-5-15(6-9-24)10-16-2-3-19-17(11-16)4-7-21-19/h2-4,7,10-12,21H,5-6,8-9,13H2,1H3,(H,22,23,25)
PDB

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0.427n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481719
PNG
(US10913733, Example 30)
Show SMILES CNC(=O)c1ccc(C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1
Show InChI InChI=1S/C20H24N4O2S/c1-14(25)23-20-22-12-18(27-20)13-24-9-7-16(8-10-24)11-15-3-5-17(6-4-15)19(26)21-2/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,26)(H,22,23,25)
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0.430n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481699
PNG
(2-(3-((1-((2- acetamidothiazol-5- yl)methyl)-piper...)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2cccc(CC(N)=O)c2)s1
Show InChI InChI=1S/C20H24N4O2S/c1-14(25)23-20-22-12-18(27-20)13-24-7-5-15(6-8-24)9-16-3-2-4-17(10-16)11-19(21)26/h2-4,9-10,12H,5-8,11,13H2,1H3,(H2,21,26)(H,22,23,25)
PDB

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0.614n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481731
PNG
(US10913733, Example 42)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc(OCCF)cc2)s1
Show InChI InChI=1S/C20H24FN3O2S/c1-15(25)23-20-22-13-19(27-20)14-24-9-6-17(7-10-24)12-16-2-4-18(5-3-16)26-11-8-21/h2-5,12-13H,6-11,14H2,1H3,(H,22,23,25)
PDB

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0.625n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481712
PNG
(N-[5-({4-[(4-hydroxy-3- methoxyphenyl)methylidene]...)
Show SMILES COc1cc(C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)ccc1O
Show InChI InChI=1S/C19H23N3O3S/c1-13(23)21-19-20-11-16(26-19)12-22-7-5-14(6-8-22)9-15-3-4-17(24)18(10-15)25-2/h3-4,9-11,24H,5-8,12H2,1-2H3,(H,20,21,23)
PDB

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0.634n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481695
PNG
(N-[5-({4-[(6-aminopyridin- 3-yl)methylidene]piperi...)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc(N)nc2)s1
Show InChI InChI=1S/C17H21N5OS/c1-12(23)21-17-20-10-15(24-17)11-22-6-4-13(5-7-22)8-14-2-3-16(18)19-9-14/h2-3,8-10H,4-7,11H2,1H3,(H2,18,19)(H,20,21,23)
PDB

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0.635n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481696
PNG
(N-(5-((4-(3- (hydroxymethyl) benzylidene)piperidin...)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2cccc(CO)c2)s1
Show InChI InChI=1S/C19H23N3O2S/c1-14(24)21-19-20-11-18(25-19)12-22-7-5-15(6-8-22)9-16-3-2-4-17(10-16)13-23/h2-4,9-11,23H,5-8,12-13H2,1H3,(H,20,21,24)
PDB

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0.690n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481701
PNG
(US10913733, Example 12)
Show SMILES CCc1ccc(C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1
Show InChI InChI=1S/C20H25N3OS/c1-3-16-4-6-17(7-5-16)12-18-8-10-23(11-9-18)14-19-13-21-20(25-19)22-15(2)24/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,21,22,24)
PDB

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0.703n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481702
PNG
(N-(5-((4-(4- methylbenzylidene)piperidin- 1-yl)met...)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc(C)cc2)s1
Show InChI InChI=1S/C19H23N3OS/c1-14-3-5-16(6-4-14)11-17-7-9-22(10-8-17)13-18-12-20-19(24-18)21-15(2)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,21,23)
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0.741n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481692
PNG
(US10913733, Example 3 | US10913733, Example 4)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc(O)nc2)s1
Show InChI InChI=1S/C17H20N4O2S/c1-12(22)20-17-19-10-15(24-17)11-21-6-4-13(5-7-21)8-14-2-3-16(23)18-9-14/h2-3,8-10H,4-7,11H2,1H3,(H,18,23)(H,19,20,22)
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0.861n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481709
PNG
(N-(5-{[4-(1,3-benzodioxol- 5-ylmethylidene)piperid...)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc3OCOc3c2)s1
Show InChI InChI=1S/C19H21N3O3S/c1-13(23)21-19-20-10-16(26-19)11-22-6-4-14(5-7-22)8-15-2-3-17-18(9-15)25-12-24-17/h2-3,8-10H,4-7,11-12H2,1H3,(H,20,21,23)
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1.03n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481723
PNG
((S,Z)-N-(5-{(4-benzylidene-2- methylpiperidin-1- y...)
Show SMILES C[C@H]1C\C(CCN1Cc1cnc(NC(C)=O)s1)=C/c1ccccc1
Show InChI InChI=1S/C19H23N3OS/c1-14-10-17(11-16-6-4-3-5-7-16)8-9-22(14)13-18-12-20-19(24-18)21-15(2)23/h3-7,11-12,14H,8-10,13H2,1-2H3,(H,20,21,23)/b17-11-/t14-/m0/s1
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1.04n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481692
PNG
(US10913733, Example 3 | US10913733, Example 4)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc(O)nc2)s1
Show InChI InChI=1S/C17H20N4O2S/c1-12(22)20-17-19-10-15(24-17)11-21-6-4-13(5-7-21)8-14-2-3-16(23)18-9-14/h2-3,8-10H,4-7,11H2,1H3,(H,18,23)(H,19,20,22)
PDB

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1.09n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481733
PNG
(N-(5-((4-(3- hydroxybenzylidene)piperidin- 1-yl)me...)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2cccc(O)c2)s1
Show InChI InChI=1S/C18H21N3O2S/c1-13(22)20-18-19-11-17(24-18)12-21-7-5-14(6-8-21)9-15-3-2-4-16(23)10-15/h2-4,9-11,23H,5-8,12H2,1H3,(H,19,20,22)
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1.13n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481714
PNG
(US10913733, Example 24 | methyl 4-((1-((2- acetami...)
Show SMILES COC(=O)c1ccc(C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1
Show InChI InChI=1S/C20H23N3O3S/c1-14(24)22-20-21-12-18(27-20)13-23-9-7-16(8-10-23)11-15-3-5-17(6-4-15)19(25)26-2/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,22,24)
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1.37n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481704
PNG
(N-(5-((4-(4- ethoxybenzylidene)piperidin- 1-yl)met...)
Show SMILES CCOc1ccc(C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1
Show InChI InChI=1S/C20H25N3O2S/c1-3-25-18-6-4-16(5-7-18)12-17-8-10-23(11-9-17)14-19-13-21-20(26-19)22-15(2)24/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,21,22,24)
PDB

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1.45n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481713
PNG
(N-[5-({4-[(3-hydroxy-4- methoxyphenyl)methylidene]...)
Show SMILES COc1ccc(C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1O
Show InChI InChI=1S/C19H23N3O3S/c1-13(23)21-19-20-11-16(26-19)12-22-7-5-14(6-8-22)9-15-3-4-18(25-2)17(24)10-15/h3-4,9-11,24H,5-8,12H2,1-2H3,(H,20,21,23)
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1.51n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481738
PNG
(US10913733, Example 49)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc(nc2)[N+]([O-])=O)s1
Show InChI InChI=1S/C17H19N5O3S/c1-12(23)20-17-19-10-15(26-17)11-21-6-4-13(5-7-21)8-14-2-3-16(18-9-14)22(24)25/h2-3,8-10H,4-7,11H2,1H3,(H,19,20,23)
PDB

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1.60n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481722
PNG
(N-(5-{[4-(phenyl- methylidene)piperidin-1- yl]meth...)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccccc2)s1
Show InChI InChI=1S/C18H21N3OS/c1-14(22)20-18-19-12-17(23-18)13-21-9-7-16(8-10-21)11-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H,19,20,22)
PDB

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1.75n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481710
PNG
(N-(5-{[4-(2,3-dihydro-1,4- benzodioxin-6- ylmethyl...)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc3OCCOc3c2)s1
Show InChI InChI=1S/C20H23N3O3S/c1-14(24)22-20-21-12-17(27-20)13-23-6-4-15(5-7-23)10-16-2-3-18-19(11-16)26-9-8-25-18/h2-3,10-12H,4-9,13H2,1H3,(H,21,22,24)
PDB

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1.79n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481735
PNG
(N-[5-({4-[(4- methoxyphenyl)methylidene] piperidin...)
Show SMILES COc1ccc(C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1
Show InChI InChI=1S/C19H23N3O2S/c1-14(23)21-19-20-12-18(25-19)13-22-9-7-16(8-10-22)11-15-3-5-17(24-2)6-4-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,21,23)
PDB

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2n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481691
PNG
(US10913733, Example 2)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc(F)nc2)s1
Show InChI InChI=1S/C17H19FN4OS/c1-12(23)21-17-20-10-15(24-17)11-22-6-4-13(5-7-22)8-14-2-3-16(18)19-9-14/h2-3,8-10H,4-7,11H2,1H3,(H,20,21,23)
PDB

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2.08n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481736
PNG
(N-(5-((4-(2- methoxybenzylidene)piperidin- 1-yl)me...)
Show SMILES COc1ccccc1C=C1CCN(Cc2cnc(NC(C)=O)s2)CC1
Show InChI InChI=1S/C19H23N3O2S/c1-14(23)21-19-20-12-17(25-19)13-22-9-7-15(8-10-22)11-16-5-3-4-6-18(16)24-2/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,21,23)
PDB

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2.45n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481721
PNG
(US10913733, Example 32)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc(F)cc2)s1
Show InChI InChI=1S/C18H20FN3OS/c1-13(23)21-18-20-11-17(24-18)12-22-8-6-15(7-9-22)10-14-2-4-16(19)5-3-14/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,23)
PDB

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2.70n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481732
PNG
(N-(5-((4-(3- methoxybenzylidene)piperidin- 1-yl)me...)
Show SMILES COc1cccc(C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)c1
Show InChI InChI=1S/C19H23N3O2S/c1-14(23)21-19-20-12-18(25-19)13-22-8-6-15(7-9-22)10-16-4-3-5-17(11-16)24-2/h3-5,10-12H,6-9,13H2,1-2H3,(H,20,21,23)
PDB

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2.93n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481700
PNG
(N-(5-((4-(4- (trifluoromethoxy) benzylidene)-piper...)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc(OC(F)(F)F)cc2)s1
Show InChI InChI=1S/C19H20F3N3O2S/c1-13(26)24-18-23-11-17(28-18)12-25-8-6-15(7-9-25)10-14-2-4-16(5-3-14)27-19(20,21)22/h2-5,10-11H,6-9,12H2,1H3,(H,23,24,26)
PDB

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3.15n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481705
PNG
(N-(5-((4-(pyrimidin-5- ylmethylene)piperidin-1- yl...)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2cncnc2)s1
Show InChI InChI=1S/C16H19N5OS/c1-12(22)20-16-19-9-15(23-16)10-21-4-2-13(3-5-21)6-14-7-17-11-18-8-14/h6-9,11H,2-5,10H2,1H3,(H,19,20,22)
PDB

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3.37n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481706
PNG
(N-[5-({4-[(2,3- dimethoxyphenyl)methylidene] piper...)
Show SMILES COc1cccc(C=C2CCN(Cc3cnc(NC(C)=O)s3)CC2)c1OC
Show InChI InChI=1S/C20H25N3O3S/c1-14(24)22-20-21-12-17(27-20)13-23-9-7-15(8-10-23)11-16-5-4-6-18(25-2)19(16)26-3/h4-6,11-12H,7-10,13H2,1-3H3,(H,21,22,24)
PDB

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3.40n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481694
PNG
(4-((1-((2-acetamidothiazol- 5-yl)methyl)piperidin-...)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc(OC(=O)OC(C)(C)C)cc2)s1
Show InChI InChI=1S/C23H29N3O4S/c1-16(27)25-21-24-14-20(31-21)15-26-11-9-18(10-12-26)13-17-5-7-19(8-6-17)29-22(28)30-23(2,3)4/h5-8,13-14H,9-12,15H2,1-4H3,(H,24,25,27)
PDB

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3.53n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481717
PNG
(US10913733, Example 28)
Show SMILES CN(C(C)=O)c1ncc(CN2CCC(CC2)=Cc2ccc(CCF)cc2)s1
Show InChI InChI=1S/C21H26FN3OS/c1-16(26)24(2)21-23-14-20(27-21)15-25-11-8-19(9-12-25)13-18-5-3-17(4-6-18)7-10-22/h3-6,13-14H,7-12,15H2,1-2H3
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5.71n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481734
PNG
(N-{5-[(4-{[4-(prop-2-en-1- yloxy)phenyl]methyliden...)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc(OCC=C)cc2)s1
Show InChI InChI=1S/C21H25N3O2S/c1-3-12-26-19-6-4-17(5-7-19)13-18-8-10-24(11-9-18)15-20-14-22-21(27-20)23-16(2)25/h3-7,13-14H,1,8-12,15H2,2H3,(H,22,23,25)
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6.11n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481730
PNG
((S,E)-N-(5-((4-(4- methoxybenzylidene)-2- methylpi...)
Show SMILES COc1ccc(\C=C2/CCN(Cc3cnc(NC(C)=O)s3)[C@@H](C)C2)cc1
Show InChI InChI=1S/C20H25N3O2S/c1-14-10-17(11-16-4-6-18(25-3)7-5-16)8-9-23(14)13-19-12-21-20(26-19)22-15(2)24/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,21,22,24)/b17-11+/t14-/m0/s1
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9.61n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481741
PNG
(US10913733, Example 52 | US10913733, Example 54)
Show SMILES C[C@H]1CC(CCN1Cc1cnc(NC(C)=O)s1)=Cc1ccc(F)nc1
Show InChI InChI=1S/C18H21FN4OS/c1-12-7-14(8-15-3-4-17(19)20-9-15)5-6-23(12)11-16-10-21-18(25-16)22-13(2)24/h3-4,8-10,12H,5-7,11H2,1-2H3,(H,21,22,24)/t12-/m0/s1
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11.8n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481726
PNG
((S,E)-N-(5-((4-benzylidene-2- methylpiperidin-1- y...)
Show SMILES C[C@H]1C\C(CCN1Cc1cnc(NC(C)=O)s1)=C\c1ccccc1
Show InChI InChI=1S/C19H23N3OS/c1-14-10-17(11-16-6-4-3-5-7-16)8-9-22(14)13-18-12-20-19(24-18)21-15(2)23/h3-7,11-12,14H,8-10,13H2,1-2H3,(H,20,21,23)/b17-11+/t14-/m0/s1
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29.8n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481737
PNG
(N-(5-((4-([1,1'-biphenyl]-4- ylmethylene)piperidin...)
Show SMILES CC(=O)Nc1ncc(CN2CCC(CC2)=Cc2ccc(cc2)-c2ccccc2)s1
Show InChI InChI=1S/C24H25N3OS/c1-18(28)26-24-25-16-23(29-24)17-27-13-11-20(12-14-27)15-19-7-9-22(10-8-19)21-5-3-2-4-6-21/h2-10,15-16H,11-14,17H2,1H3,(H,25,26,28)
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53.8n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481724
PNG
((R,Z)-N-(5-((4-benzylidene-2- methylpiperidin-1- y...)
Show SMILES C[C@@H]1C\C(CCN1Cc1cnc(NC(C)=O)s1)=C/c1ccccc1
Show InChI InChI=1S/C19H23N3OS/c1-14-10-17(11-16-6-4-3-5-7-16)8-9-22(14)13-18-12-20-19(24-18)21-15(2)23/h3-7,11-12,14H,8-10,13H2,1-2H3,(H,20,21,23)/b17-11-/t14-/m1/s1
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56.6n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481729
PNG
((R,Z)-N-(5-((4-(4- methoxybenzylidene)-2- methylpi...)
Show SMILES COc1ccc(\C=C2\CCN(Cc3cnc(NC(C)=O)s3)[C@H](C)C2)cc1
Show InChI InChI=1S/C20H25N3O2S/c1-14-10-17(11-16-4-6-18(25-3)7-5-16)8-9-23(14)13-19-12-21-20(26-19)22-15(2)24/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,21,22,24)/b17-11-/t14-/m1/s1
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71.2n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481740
PNG
(US10913733, Example 51 | US10913733, Example 53)
Show SMILES C[C@@H]1CC(CCN1Cc1cnc(NC(C)=O)s1)=Cc1ccc(F)nc1
Show InChI InChI=1S/C18H21FN4OS/c1-12-7-14(8-15-3-4-17(19)20-9-15)5-6-23(12)11-16-10-21-18(25-16)22-13(2)24/h3-4,8-10,12H,5-7,11H2,1-2H3,(H,21,22,24)/t12-/m1/s1
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123n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481728
PNG
((R,E)-N-(5-((4-(4- methoxybenzylidene)-2- methylpi...)
Show SMILES COc1ccc(\C=C2/CCN(Cc3cnc(NC(C)=O)s3)[C@H](C)C2)cc1
Show InChI InChI=1S/C20H25N3O2S/c1-14-10-17(11-16-4-6-18(25-3)7-5-16)8-9-23(14)13-19-12-21-20(26-19)22-15(2)24/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,21,22,24)/b17-11+/t14-/m1/s1
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126n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481740
PNG
(US10913733, Example 51 | US10913733, Example 53)
Show SMILES C[C@@H]1CC(CCN1Cc1cnc(NC(C)=O)s1)=Cc1ccc(F)nc1
Show InChI InChI=1S/C18H21FN4OS/c1-12-7-14(8-15-3-4-17(19)20-9-15)5-6-23(12)11-16-10-21-18(25-16)22-13(2)24/h3-4,8-10,12H,5-7,11H2,1-2H3,(H,21,22,24)/t12-/m1/s1
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218n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM481725
PNG
((R,E)-N-(5-((4-benzylidene-2- methylpiperidin-1- y...)
Show SMILES C[C@@H]1C\C(CCN1Cc1cnc(NC(C)=O)s1)=C\c1ccccc1
Show InChI InChI=1S/C19H23N3OS/c1-14-10-17(11-16-6-4-3-5-7-16)8-9-22(14)13-18-12-20-19(24-18)21-15(2)23/h3-7,11-12,14H,8-10,13H2,1-2H3,(H,20,21,23)/b17-11+/t14-/m1/s1
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412n/an/an/an/an/an/an/an/a



Alectos Therapeutics Inc.; Merck Sharp & Dohme Corp.

US Patent


Assay Description
Experimental procedure for kinetic analyses: Enzymatic reactions were carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (p...


US Patent US10913733 (2021)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%