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Compile Data Set for Download or QSAR

Found 41 hits from Alectos Therapeutics Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucosylceramidase


(Homo sapiens (human))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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US Patent
1.70n/an/an/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucosylceramidase


(Homo sapiens (human))
BDBM285821
PNG
((6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](CF)[C@H]1O
Show InChI InChI=1S/C8H14FNO2/c9-3-5-7(12)6(11)4-10-8(5)1-2-8/h5-7,10-12H,1-4H2/t5-,6-,7-/m1/s1
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2.10n/an/an/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285819
PNG
((6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol...)
Show SMILES C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1
Show InChI InChI=1S/C8H15NO2/c1-5-7(11)6(10)4-9-8(5)2-3-8/h5-7,9-11H,2-4H2,1H3/t5-,6-,7-/m1/s1
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2.60n/an/an/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285839
PNG
((6R,7R,8S)-8-(prop-1-yn-1-yl)-4-azaspiro[2.5]octan...)
Show SMILES CC#C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1
Show InChI InChI=1S/C10H15NO2/c1-2-3-7-9(13)8(12)6-11-10(7)4-5-10/h7-9,11-13H,4-6H2,1H3/t7-,8-,9-/m1/s1
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6.70n/an/an/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285820
PNG
((6R,7R,8R)-8-(hydroxymethyl)-4-azaspiro[2.5]octane...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1
Show InChI InChI=1S/C8H15NO3/c10-4-5-7(12)6(11)3-9-8(5)1-2-8/h5-7,9-12H,1-4H2/t5-,6-,7-/m1/s1
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7n/an/an/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285834
PNG
((6R,7R,8S)-8-vinyl-4-azaspiro[2.5]octane-6,7-diol ...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](C=C)[C@H]1O
Show InChI InChI=1S/C9H15NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h2,6-8,10-12H,1,3-5H2/t6-,7-,8-/m1/s1
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7.60n/an/an/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285838
PNG
((6R,7R,8S)-8-ethynyl-4-azaspiro[2.5]octane-6,7-dio...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#C)[C@H]1O
Show InChI InChI=1S/C9H13NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h1,6-8,10-12H,3-5H2/t6-,7-,8-/m1/s1
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7.90n/an/an/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285822
PNG
((6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octan...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](C(F)F)[C@H]1O
Show InChI InChI=1S/C8H13F2NO2/c9-7(10)5-6(13)4(12)3-11-8(5)1-2-8/h4-7,11-13H,1-3H2/t4-,5+,6+/m1/s1
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8n/an/an/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285843
PNG
((6R,7R,8S)-8-(3-fluoroprop-1-yn-1-yl)-4-azaspiro[2...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#CCF)[C@H]1O
Show InChI InChI=1S/C10H14FNO2/c11-5-1-2-7-9(14)8(13)6-12-10(7)3-4-10/h7-9,12-14H,3-6H2/t7-,8-,9-/m1/s1
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15n/an/an/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285844
PNG
((6R,7R,8S)-8-(3,3-difluoroprop-1-yn-1-yl)-4-azaspi...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#CC(F)F)[C@H]1O
Show InChI InChI=1S/C10H13F2NO2/c11-8(12)2-1-6-9(15)7(14)5-13-10(6)3-4-10/h6-9,13-15H,3-5H2/t6-,7-,9-/m1/s1
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17n/an/an/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285817
PNG
(US10081601, Example 1.2)
Show SMILES CCCC1(CCC)NC[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C12H25NO3/c1-3-5-12(6-4-2)9(8-14)11(16)10(15)7-13-12/h9-11,13-16H,3-8H2,1-2H3/t9-,10-,11-/m1/s1
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1.40E+3n/an/an/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285840
PNG
((6R,7R,8S)-8-(but-1-yn-1-yl)-4-azaspiro[2.5]octane...)
Show SMILES CCC#C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1
Show InChI InChI=1S/C11H17NO2/c1-2-3-4-8-10(14)9(13)7-12-11(8)5-6-11/h8-10,12-14H,2,5-7H2,1H3/t8-,9-,10-/m1/s1
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n/an/a 2.40n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285845
PNG
((6R,7R,8S)-8-(4-fluorobut-1-yn-1-yl)-4-azaspiro[2....)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#CCCF)[C@H]1O
Show InChI InChI=1S/C11H16FNO2/c12-6-2-1-3-8-10(15)9(14)7-13-11(8)4-5-11/h8-10,13-15H,2,4-7H2/t8-,9-,10-/m1/s1
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n/an/a 2.5n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285819
PNG
((6R,7R,8S)-8-methyl-4-azaspiro[2.5]octane-6,7-diol...)
Show SMILES C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1
Show InChI InChI=1S/C8H15NO2/c1-5-7(11)6(10)4-9-8(5)2-3-8/h5-7,9-11H,2-4H2,1H3/t5-,6-,7-/m1/s1
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n/an/a 3.70n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285821
PNG
((6R,7R,8S)-8-(fluoromethyl)-4-azaspiro[2.5]octane-...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](CF)[C@H]1O
Show InChI InChI=1S/C8H14FNO2/c9-3-5-7(12)6(11)4-10-8(5)1-2-8/h5-7,10-12H,1-4H2/t5-,6-,7-/m1/s1
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n/an/a 6.20n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285830
PNG
((6R,7R,8S)-8-ethyl-4-azaspiro[2.5]octane-6,7-diol ...)
Show SMILES CC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1
Show InChI InChI=1S/C9H17NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h6-8,10-12H,2-5H2,1H3/t6-,7-,8-/m1/s1
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n/an/a 6.30n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285822
PNG
((6R,7R,8S)-8-(difluoromethyl)-4-azaspiro[2.5]octan...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](C(F)F)[C@H]1O
Show InChI InChI=1S/C8H13F2NO2/c9-7(10)5-6(13)4(12)3-11-8(5)1-2-8/h4-7,11-13H,1-3H2/t4-,5+,6+/m1/s1
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n/an/a 6.5n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285841
PNG
((6R,7R,8S)-8-(pent-1-yn-1-yl)-4-azaspiro[2.5]octan...)
Show SMILES CCCC#C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1
Show InChI InChI=1S/C12H19NO2/c1-2-3-4-5-9-11(15)10(14)8-13-12(9)6-7-12/h9-11,13-15H,2-3,6-8H2,1H3/t9-,10-,11-/m1/s1
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n/an/a 6.70n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285834
PNG
((6R,7R,8S)-8-vinyl-4-azaspiro[2.5]octane-6,7-diol ...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](C=C)[C@H]1O
Show InChI InChI=1S/C9H15NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h2,6-8,10-12H,1,3-5H2/t6-,7-,8-/m1/s1
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n/an/a 6.80n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285823
PNG
((6R,7R,8S)-8-(chloromethyl)-4-azaspiro[2.5]octane-...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](CCl)[C@H]1O
Show InChI InChI=1S/C8H14ClNO2/c9-3-5-7(12)6(11)4-10-8(5)1-2-8/h5-7,10-12H,1-4H2/t5-,6-,7-/m1/s1
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n/an/a 7.40n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285824
PNG
((6R,7R,8R)-8-(methoxymethyl)-4-azaspiro[2.5]octane...)
Show SMILES COC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1
Show InChI InChI=1S/C9H17NO3/c1-13-5-6-8(12)7(11)4-10-9(6)2-3-9/h6-8,10-12H,2-5H2,1H3/t6-,7-,8-/m1/s1
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n/an/a 7.5n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50182801
PNG
((3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8...)
Show SMILES OC[C@H]1CNC[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6-/m1/s1
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n/an/a 8.20n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucosylceramidase


(Homo sapiens (human))
BDBM285839
PNG
((6R,7R,8S)-8-(prop-1-yn-1-yl)-4-azaspiro[2.5]octan...)
Show SMILES CC#C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1
Show InChI InChI=1S/C10H15NO2/c1-2-3-7-9(13)8(12)6-11-10(7)4-5-10/h7-9,11-13H,4-6H2,1H3/t7-,8-,9-/m1/s1
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UniChem
US Patent
n/an/a 9.70n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285846
PNG
((6R,7R,8S)-8-(4,4-difluorobut-1-yn-1-yl)-4-azaspir...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#CCC(F)F)[C@H]1O
Show InChI InChI=1S/C11H15F2NO2/c12-9(13)3-1-2-7-10(16)8(15)6-14-11(7)4-5-11/h7-10,14-16H,3-6H2/t7-,8-,10-/m1/s1
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n/an/a 11n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285838
PNG
((6R,7R,8S)-8-ethynyl-4-azaspiro[2.5]octane-6,7-dio...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#C)[C@H]1O
Show InChI InChI=1S/C9H13NO2/c1-2-6-8(12)7(11)5-10-9(6)3-4-9/h1,6-8,10-12H,3-5H2/t6-,7-,8-/m1/s1
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n/an/a 13n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285820
PNG
((6R,7R,8R)-8-(hydroxymethyl)-4-azaspiro[2.5]octane...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1
Show InChI InChI=1S/C8H15NO3/c10-4-5-7(12)6(11)3-9-8(5)1-2-8/h5-7,9-12H,1-4H2/t5-,6-,7-/m1/s1
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Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285831
PNG
((6R,7R,8S)-8-propyl-4-azaspiro[2.5]octane-6,7-diol...)
Show SMILES CCC[C@@H]1[C@@H](O)[C@H](O)CNC11CC1
Show InChI InChI=1S/C10H19NO2/c1-2-3-7-9(13)8(12)6-11-10(7)4-5-10/h7-9,11-13H,2-6H2,1H3/t7-,8-,9-/m1/s1
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n/an/a 15n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285843
PNG
((6R,7R,8S)-8-(3-fluoroprop-1-yn-1-yl)-4-azaspiro[2...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#CCF)[C@H]1O
Show InChI InChI=1S/C10H14FNO2/c11-5-1-2-7-9(14)8(13)6-12-10(7)3-4-10/h7-9,12-14H,3-6H2/t7-,8-,9-/m1/s1
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Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285842
PNG
((6R,7R,8S)-8-(3-hydroxyprop-1-yn-1-yl)-4-azaspiro[...)
Show SMILES OCC#C[C@@H]1[C@@H](O)[C@H](O)CNC11CC1
Show InChI InChI=1S/C10H15NO3/c12-5-1-2-7-9(14)8(13)6-11-10(7)3-4-10/h7-9,11-14H,3-6H2/t7-,8-,9-/m1/s1
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Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285836
PNG
((6R,7R,8S)-8-((E)-2-fluorovinyl)-4-azaspiro[2.5]oc...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](\C=C\F)[C@H]1O
Show InChI InChI=1S/C9H14FNO2/c10-4-1-6-8(13)7(12)5-11-9(6)2-3-9/h1,4,6-8,11-13H,2-3,5H2/b4-1+/t6-,7-,8-/m1/s1
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n/an/a 20n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285844
PNG
((6R,7R,8S)-8-(3,3-difluoroprop-1-yn-1-yl)-4-azaspi...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#CC(F)F)[C@H]1O
Show InChI InChI=1S/C10H13F2NO2/c11-8(12)2-1-6-9(15)7(14)5-13-10(6)3-4-10/h6-9,13-15H,3-5H2/t6-,7-,9-/m1/s1
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n/an/a 22n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285832
PNG
((6R,7R,8S)-8-(2-fluoroethyl)-4-azaspiro[2.5]octane...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](CCF)[C@H]1O
Show InChI InChI=1S/C9H16FNO2/c10-4-1-6-8(13)7(12)5-11-9(6)2-3-9/h6-8,11-13H,1-5H2/t6-,7-,8-/m1/s1
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n/an/a 27n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285825
PNG
((6R,7S,8S)-8-methoxy-4-azaspiro[2.5]octane-6,7-dio...)
Show SMILES CO[C@@H]1[C@@H](O)[C@H](O)CNC11CC1
Show InChI InChI=1S/C8H15NO3/c1-12-7-6(11)5(10)4-9-8(7)2-3-8/h5-7,9-11H,2-4H2,1H3/t5-,6+,7-/m1/s1
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Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285835
PNG
((6R,7R,8S)-8-((Z)-2-fluorovinyl)-4-azaspiro[2.5]oc...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](\C=C/F)[C@H]1O
Show InChI InChI=1S/C9H14FNO2/c10-4-1-6-8(13)7(12)5-11-9(6)2-3-9/h1,4,6-8,11-13H,2-3,5H2/b4-1-/t6-,7-,8-/m1/s1
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n/an/a 36n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285833
PNG
((6R,7R,8S)-8-(2,2-difluoroethyl)-4-azaspiro[2.5]oc...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](CC(F)F)[C@H]1O
Show InChI InChI=1S/C9H15F2NO2/c10-7(11)3-5-8(14)6(13)4-12-9(5)1-2-9/h5-8,12-14H,1-4H2/t5-,6-,8-/m1/s1
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n/an/a 56n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285826
PNG
((6R,7R,8R)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-c...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](C#N)[C@H]1O
Show InChI InChI=1S/C8H12N2O2/c9-3-5-7(12)6(11)4-10-8(5)1-2-8/h5-7,10-12H,1-2,4H2/t5-,6-,7-/m1/s1
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n/an/a 75n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285837
PNG
((6R,7R,8S)-8-(2,2-difluorovinyl)-4-azaspiro[2.5]oc...)
Show SMILES O[C@@H]1CNC2(CC2)[C@H](C=C(F)F)[C@H]1O
Show InChI InChI=1S/C9H13F2NO2/c10-7(11)3-5-8(14)6(13)4-12-9(5)1-2-9/h3,5-6,8,12-14H,1-2,4H2/t5-,6-,8-/m1/s1
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Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285818
PNG
(US10081601, Example 1.3)
Show SMILES CC1(C)NC[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C8H17NO3/c1-8(2)5(4-10)7(12)6(11)3-9-8/h5-7,9-12H,3-4H2,1-2H3/t5-,6-,7-/m1/s1
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n/an/a 222n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285828
PNG
((6R,7R,8S)-6,7-dihydroxy-N-methyl-4-azaspiro[2.5]o...)
Show SMILES CNC(=O)[C@@H]1[C@@H](O)[C@H](O)CNC11CC1
Show InChI InChI=1S/C9H16N2O3/c1-10-8(14)6-7(13)5(12)4-11-9(6)2-3-9/h5-7,11-13H,2-4H2,1H3,(H,10,14)/t5-,6+,7+/m1/s1
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n/an/a 264n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285829
PNG
((6R,7R,8S)?N-cyclopropyl-6,7-dihydroxy-4-azaspiro[...)
Show SMILES O[C@@H]1CNC2(CC2)[C@@H]([C@H]1O)C(=O)NC1CC1
Show InChI InChI=1S/C11H18N2O3/c14-7-5-12-11(3-4-11)8(9(7)15)10(16)13-6-1-2-6/h6-9,12,14-15H,1-5H2,(H,13,16)/t7-,8+,9+/m1/s1
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n/an/a 462n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM285827
PNG
((6R,7R,8S)-6,7-dihydroxy-4-azaspiro[2.5]octane-8-c...)
Show SMILES O[C@@H]1CNC2(CC2)[C@@H]([C@H]1O)C(O)=O
Show InChI InChI=1S/C8H13NO4/c10-4-3-9-8(1-2-8)5(6(4)11)7(12)13/h4-6,9-11H,1-3H2,(H,12,13)/t4-,5+,6+/m1/s1
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n/an/a 507n/an/an/an/a7.0n/a



Alectos Therapeutics Inc.

US Patent


Assay Description
Various concentrations of test compounds were prepared in DMSO and then diluted into buffer consisting of 50 mM sodium phosphate 0.25% w/v sodium tau...


US Patent US10081601 (2018)

More data for this
Ligand-Target Pair