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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with Target = 'Beta-hexosaminidase subunit beta (Hex B)'   
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
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM36548
PNG
(N-[1-(7-{bis[(4-methoxyphenyl)methyl]amino}heptyl)...)
Show SMILES COc1ccc(CN(CCCCCCCN2CC(NC(C)=O)C(O)C(O)C2CO)Cc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C31H47N3O6/c1-23(36)32-28-21-34(29(22-35)31(38)30(28)37)18-8-6-4-5-7-17-33(19-24-9-13-26(39-2)14-10-24)20-25-11-15-27(40-3)16-12-25/h9-16,28-31,35,37-38H,4-8,17-22H2,1-3H3,(H,32,36)
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PubMed
0.690 -53.2n/an/an/an/an/a4.2530



Academia Sinica



Assay Description
Enzyme inhibition activity assay using 4-methylumbelliferyl N-acetylglucosamine (MUG) as substrate.


ACS Chem Biol 5: 489-97 (2010)


Article DOI: 10.1021/cb100011u
BindingDB Entry DOI: 10.7270/Q2JQ0ZCB
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM36547
PNG
(N-[4,5-dihydroxy-6-(hydroxymethyl)-1-(7-{[(4-metho...)
Show SMILES COc1ccc(CNCCCCCCCN2CC(NC(C)=O)C(O)C(O)C2CO)cc1
Show InChI InChI=1S/C23H39N3O5/c1-17(28)25-20-15-26(21(16-27)23(30)22(20)29)13-7-5-3-4-6-12-24-14-18-8-10-19(31-2)11-9-18/h8-11,20-24,27,29-30H,3-7,12-16H2,1-2H3,(H,25,28)
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PubMed
1.20 -51.8n/an/an/an/an/a4.2530



Academia Sinica



Assay Description
Enzyme inhibition activity assay using 4-methylumbelliferyl N-acetylglucosamine (MUG) as substrate.


ACS Chem Biol 5: 489-97 (2010)


Article DOI: 10.1021/cb100011u
BindingDB Entry DOI: 10.7270/Q2JQ0ZCB
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM36546
PNG
(N-[1-(7-aminoheptyl)-4,5-dihydroxy-6-(hydroxymethy...)
Show SMILES CC(=O)NC1CN(CCCCCCCN)C(CO)C(O)C1O
Show InChI InChI=1S/C15H31N3O4/c1-11(20)17-12-9-18(8-6-4-2-3-5-7-16)13(10-19)15(22)14(12)21/h12-15,19,21-22H,2-10,16H2,1H3,(H,17,20)
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2.10 -50.4n/an/an/an/an/a4.2530



Academia Sinica



Assay Description
Enzyme inhibition activity assay using 4-methylumbelliferyl N-acetylglucosamine (MUG) as substrate.


ACS Chem Biol 5: 489-97 (2010)


Article DOI: 10.1021/cb100011u
BindingDB Entry DOI: 10.7270/Q2JQ0ZCB
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM36549
PNG
(N-{7-[5-acetamido-3,4-dihydroxy-2-(hydroxymethyl)p...)
Show SMILES CC(=O)NC1CN(CCCCCCCNC(=O)CCCCC2SCC3NC(=O)NC23)C(CO)C(O)C1O
Show InChI InChI=1S/C25H45N5O6S/c1-16(32)27-17-13-30(19(14-31)24(35)23(17)34)12-8-4-2-3-7-11-26-21(33)10-6-5-9-20-22-18(15-37-20)28-25(36)29-22/h17-20,22-24,31,34-35H,2-15H2,1H3,(H,26,33)(H,27,32)(H2,28,29,36)
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26.7 -44.0n/an/an/an/an/a4.2530



Academia Sinica



Assay Description
Enzyme inhibition activity assay using 4-methylumbelliferyl N-acetylglucosamine (MUG) as substrate.


ACS Chem Biol 5: 489-97 (2010)


Article DOI: 10.1021/cb100011u
BindingDB Entry DOI: 10.7270/Q2JQ0ZCB
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM50182804
PNG
(2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN | CHEMBL382689 |...)
Show SMILES CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8+/m0/s1
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540 -36.4n/an/an/an/an/a4.2530



Academia Sinica



Assay Description
Enzyme inhibition activity assay using 4-methylumbelliferyl N-acetylglucosamine (MUG) as substrate.


ACS Chem Biol 5: 489-97 (2010)


Article DOI: 10.1021/cb100011u
BindingDB Entry DOI: 10.7270/Q2JQ0ZCB
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM36550
PNG
(N-[1-(7-azidoheptyl)-4,5-dihydroxy-6-(hydroxymethy...)
Show SMILES CC(=O)NC1CN(CCCCCCCN=[N]#N)C(CO)C(O)C1O
Show InChI InChI=1S/C15H29N5O4/c1-11(22)18-12-9-20(13(10-21)15(24)14(12)23)8-6-4-2-3-5-7-17-19-16/h12-15,21,23-24H,2-10H2,1H3,(H,18,22)
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1.70E+3 -33.5n/an/an/an/an/a4.2530



Academia Sinica



Assay Description
Enzyme inhibition activity assay using 4-methylumbelliferyl N-acetylglucosamine (MUG) as substrate.


ACS Chem Biol 5: 489-97 (2010)


Article DOI: 10.1021/cb100011u
BindingDB Entry DOI: 10.7270/Q2JQ0ZCB
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM18788
PNG
(6-ethyl-5-phenylpyrimidine-2,4-diamine | CHEMBL221...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccccc1
Show InChI InChI=1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16)
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n/an/a 3.80E+4n/an/an/an/a4.5n/a



Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada.

Curated by ChEMBL


Assay Description
Inhibition of human placental HexB using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometry


J Med Chem 58: 4483-93 (2015)


Article DOI: 10.1021/jm5017895
BindingDB Entry DOI: 10.7270/Q28054CK
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM18512
PNG
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
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n/an/a 9.10E+3n/an/an/an/a4.5n/a



Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada.

Curated by ChEMBL


Assay Description
Inhibition of human placental HexB using MUGS substrate incubated for 1 to 2 hrs at pH 4.5 by spectrofluorometry


J Med Chem 58: 4483-93 (2015)


Article DOI: 10.1021/jm5017895
BindingDB Entry DOI: 10.7270/Q28054CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM18512
PNG
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
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n/an/a 4.50E+3n/an/an/an/a7.0n/a



Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada.

Curated by ChEMBL


Assay Description
Inhibition of human placental HexB using MUGS substrate incubated for 1 to 2 hrs at pH 7.0 by spectrofluorometry


J Med Chem 58: 4483-93 (2015)


Article DOI: 10.1021/jm5017895
BindingDB Entry DOI: 10.7270/Q28054CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM18788
PNG
(6-ethyl-5-phenylpyrimidine-2,4-diamine | CHEMBL221...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccccc1
Show InChI InChI=1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16)
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n/an/a 1.50E+4n/an/an/an/a7.0n/a



Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada.

Curated by ChEMBL


Assay Description
Inhibition of human placental HexB using MUGS substrate incubated for 1 to 2 hrs at pH 7.0 by spectrofluorometry


J Med Chem 58: 4483-93 (2015)


Article DOI: 10.1021/jm5017895
BindingDB Entry DOI: 10.7270/Q28054CK
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM40762
PNG
(Iminocyclitol, 4)
Show SMILES CN1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C8H16N2O4/c1-4(12)9-8-7(14)6(13)5(3-11)10(8)2/h5-8,11,13-14H,3H2,1-2H3,(H,9,12)/t5-,6-,7+,8+/m1/s1
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24n/an/an/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Hexosaminidase activity assay was measured by fluorometry, VersaFluor Fluorometer from Bio-Rad.


Chem Biol 8: 701-11 (2001)


Article DOI: 10.1016/S1074-5521(01)00045-X
BindingDB Entry DOI: 10.7270/Q28C9TNR
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM40761
PNG
(Iminocyclitol, 3)
Show SMILES CC(=O)N[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C7H14N2O4/c1-3(11)8-7-6(13)5(12)4(2-10)9-7/h4-7,9-10,12-13H,2H2,1H3,(H,8,11)/t4-,5-,6+,7+/m1/s1
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40n/an/an/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Hexosaminidase activity assay was measured by fluorometry, VersaFluor Fluorometer from Bio-Rad.


Chem Biol 8: 701-11 (2001)


Article DOI: 10.1016/S1074-5521(01)00045-X
BindingDB Entry DOI: 10.7270/Q28C9TNR
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM40760
PNG
(Iminocyclitol, 2)
Show SMILES CN1[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1NC(C)=O
Show InChI InChI=1S/C8H16N2O4/c1-4(12)9-8-7(14)6(13)5(3-11)10(8)2/h5-8,11,13-14H,3H2,1-2H3,(H,9,12)/t5-,6-,7+,8-/m1/s1
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65n/an/an/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Hexosaminidase activity assay was measured by fluorometry, VersaFluor Fluorometer from Bio-Rad.


Chem Biol 8: 701-11 (2001)


Article DOI: 10.1016/S1074-5521(01)00045-X
BindingDB Entry DOI: 10.7270/Q28C9TNR
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM40759
PNG
(Iminocyclitol, 1)
Show SMILES CC(=O)N[C@@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C7H14N2O4/c1-3(11)8-7-6(13)5(12)4(2-10)9-7/h4-7,9-10,12-13H,2H2,1H3,(H,8,11)/t4-,5-,6+,7-/m1/s1
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240n/an/an/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Hexosaminidase activity assay was measured by fluorometry, VersaFluor Fluorometer from Bio-Rad.


Chem Biol 8: 701-11 (2001)


Article DOI: 10.1016/S1074-5521(01)00045-X
BindingDB Entry DOI: 10.7270/Q28C9TNR
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM40763
PNG
(Iminocyclitol, 6)
Show SMILES CN1CC(NC(C)=O)C(O)C(O)C1CO
Show InChI InChI=1S/C9H18N2O4/c1-5(13)10-6-3-11(2)7(4-12)9(15)8(6)14/h6-9,12,14-15H,3-4H2,1-2H3,(H,10,13)
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860n/an/an/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Hexosaminidase activity assay was measured by fluorometry, VersaFluor Fluorometer from Bio-Rad.


Chem Biol 8: 701-11 (2001)


Article DOI: 10.1016/S1074-5521(01)00045-X
BindingDB Entry DOI: 10.7270/Q28C9TNR
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM50182804
PNG
(2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN | CHEMBL382689 |...)
Show SMILES CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C8H16N2O4/c1-4(12)10-5-2-9-6(3-11)8(14)7(5)13/h5-9,11,13-14H,2-3H2,1H3,(H,10,12)/t5-,6+,7+,8+/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Hexosaminidase activity assay was measured by fluorometry, VersaFluor Fluorometer from Bio-Rad.


Chem Biol 8: 701-11 (2001)


Article DOI: 10.1016/S1074-5521(01)00045-X
BindingDB Entry DOI: 10.7270/Q28C9TNR
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM40765
PNG
(Iminocyclitol, 8)
Show SMILES CN1[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@H]1OS([O-])(=O)=O
Show InChI InChI=1S/C7H14N2O7S/c1-3(10)8-6-4(11)5(12)7(9(6)2)16-17(13,14)15/h4-7,11-12H,1-2H3,(H,8,10)(H,13,14,15)/p-1/t4-,5-,6-,7+/m0/s1
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5.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Hexosaminidase activity assay was measured by fluorometry, VersaFluor Fluorometer from Bio-Rad.


Chem Biol 8: 701-11 (2001)


Article DOI: 10.1016/S1074-5521(01)00045-X
BindingDB Entry DOI: 10.7270/Q28C9TNR
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM40766
PNG
(Iminocyclitol, 9)
Show SMILES CC1NC2C(OC(CO)C(O)C2=O)S1
Show InChI InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h3-6,8-11H,2H2,1H3
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1.10E+4n/an/an/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Hexosaminidase activity assay was measured by fluorometry, VersaFluor Fluorometer from Bio-Rad.


Chem Biol 8: 701-11 (2001)


Article DOI: 10.1016/S1074-5521(01)00045-X
BindingDB Entry DOI: 10.7270/Q28C9TNR
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM40767
PNG
(Iminocyclitol, 10)
Show SMILES CC1=NC2C(OC(OS([O-])(=O)=O)C(O)C2O)S1
Show InChI InChI=1S/C7H11NO7S2/c1-2-8-3-4(9)5(10)6(14-7(3)16-2)15-17(11,12)13/h3-7,9-10H,1H3,(H,11,12,13)/p-1
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1.00E+5n/an/an/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Hexosaminidase activity assay was measured by fluorometry, VersaFluor Fluorometer from Bio-Rad.


Chem Biol 8: 701-11 (2001)


Article DOI: 10.1016/S1074-5521(01)00045-X
BindingDB Entry DOI: 10.7270/Q28C9TNR
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM50327038
PNG
((3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,...)
Show SMILES CC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6-,7-,8-/m1/s1
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2.70E+5n/an/an/an/an/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of human beta hexosaminidase


Bioorg Med Chem Lett 18: 2944-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.067
BindingDB Entry DOI: 10.7270/Q2GH9JVC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM50377445
PNG
(CHEMBL403756)
Show SMILES CC1=N[C@H]2[C@H](O[C@H](CO)[C@H](O)[C@@H]2O)S1
Show InChI InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6+,7-,8-/m1/s1
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8.20E+5n/an/an/an/an/an/an/an/a



The State University of New Jersey

Curated by ChEMBL


Assay Description
Inhibition of human beta hexosaminidase


Bioorg Med Chem Lett 18: 2944-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.067
BindingDB Entry DOI: 10.7270/Q2GH9JVC
More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM304400
PNG
(US10143668, Compound 1d)
Show SMILES CCCCCCCCCCCCCC[N+](C)(C)CC(=O)N(C)CC(O)CO
Show InChI InChI=1S/C22H47N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24(3,4)19-22(27)23(2)18-21(26)20-25/h21,25-26H,5-20H2,1-4H3/q+1
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US Patent
n/an/a 3.10E+3n/an/an/an/an/an/a



GRI BIO, INC.

US Patent


Assay Description
Buffers and solutions: Phosphate buffered saline (PBS) and 1 M HEPES were provided by the in-house service facility. Tyrode's buffer (TyB) consis...


US Patent US10143668 (2018)

More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM304357
PNG
(US10143668, Compound 1c)
Show SMILES CCCCCCCCCCCCN(C)CC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C22H46N2O6/c1-4-5-6-7-8-9-10-11-12-13-14-23(2)16-20(28)24(3)15-18(26)21(29)22(30)19(27)17-25/h18-19,21-22,25-27,29-30H,4-17H2,1-3H3/t18-,19+,21+,22+/m0/s1
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n/an/a 1.23E+4n/an/an/an/an/an/a



GRI BIO, INC.

US Patent


Assay Description
Buffers and solutions: Phosphate buffered saline (PBS) and 1 M HEPES were provided by the in-house service facility. Tyrode's buffer (TyB) consis...


US Patent US10143668 (2018)

More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM304339
PNG
(US10143668, Compound 1b)
Show SMILES CCCCCCCCCCCCCCN(C)CC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C24H50N2O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25(2)18-22(30)26(3)17-20(28)23(31)24(32)21(29)19-27/h20-21,23-24,27-29,31-32H,4-19H2,1-3H3/t20-,21+,23+,24+/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



GRI BIO, INC.

US Patent


Assay Description
Buffers and solutions: Phosphate buffered saline (PBS) and 1 M HEPES were provided by the in-house service facility. Tyrode's buffer (TyB) consis...


US Patent US10143668 (2018)

More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM50034220
PNG
(2-(((Hexadecyloxy)hydroxyphosphinyl)oxy)-N,N,N-tri...)
Show SMILES CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
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US Patent
n/an/a 4.20E+3n/an/an/an/an/an/a



GRI BIO, INC.

US Patent


Assay Description
Buffers and solutions: Phosphate buffered saline (PBS) and 1 M HEPES were provided by the in-house service facility. Tyrode's buffer (TyB) consis...


US Patent US10143668 (2018)

More data for this
Ligand-Target Pair
Beta-hexosaminidase subunit beta (Hex B)


(Homo sapiens (Human))
BDBM304327
PNG
(US10143668, Compound 1a)
Show SMILES CCCCCCCCCCCCCC[N+](C)(C)CC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C25H53N2O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-27(3,4)19-23(31)26(2)18-21(29)24(32)25(33)22(30)20-28/h21-22,24-25,28-30,32-33H,5-20H2,1-4H3/q+1/t21-,22+,24+,25+/m0/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



GRI BIO, INC.

US Patent


Assay Description
Buffers and solutions: Phosphate buffered saline (PBS) and 1 M HEPES were provided by the in-house service facility. Tyrode's buffer (TyB) consis...


US Patent US10143668 (2018)

More data for this
Ligand-Target Pair