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Patent code US10167270

Compile Data Set for Download or QSAR
Found 175 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucosylceramidase


(Homo sapiens (human))
BDBM313450
PNG
(US10167270, Example 156)
Show SMILES O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCC(=O)NCCCCCC(=O)Nc1ccc(cc1)-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1
Show InChI InChI=1S/C50H66N8O8S/c59-44(15-8-7-14-43-47-42(34-67-43)56-50(62)57-47)52-23-25-64-27-29-66-31-30-65-28-26-63-24-21-45(60)51-22-9-1-2-16-46(61)53-38-19-17-35(18-20-38)48-55-41-13-6-5-12-40(41)49(58-48)54-39-32-36-10-3-4-11-37(36)33-39/h3-6,10-13,17-20,39,42-43,47H,1-2,7-9,14-16,21-34H2,(H,51,60)(H,52,59)(H,53,61)(H,54,55,58)(H2,56,57,62)/t42-,43-,47-/m0/s1
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US Patent
n/an/a 1.95n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196623
PNG
(CHEMBL3976182 | US10167270, Example 00164)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1
Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)
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n/an/a 5.20n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196623
PNG
(CHEMBL3976182 | US10167270, Example 00164)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1
Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)
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n/an/a 5.20n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
pH = 5.9.


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313446
PNG
(US10167270, Example 145)
Show SMILES CC(C)(C)OC(=O)NCCCCCC(=O)Nc1ccc(cc1)-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1
Show InChI InChI=1S/C34H39N5O3/c1-34(2,3)42-33(41)35-20-10-4-5-15-30(40)36-26-18-16-23(17-19-26)31-38-29-14-9-8-13-28(29)32(39-31)37-27-21-24-11-6-7-12-25(24)22-27/h6-9,11-14,16-19,27H,4-5,10,15,20-22H2,1-3H3,(H,35,41)(H,36,40)(H,37,38,39)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313288
PNG
(US10167270, Example 66)
Show SMILES C1Cc2ccccc2CC1Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)
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n/an/a 6n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196514
PNG
(CHEMBL3950881 | US10167270, Example 00159)
Show SMILES C1Cc2ccccc2C[C@H]1Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m0/s1
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196521
PNG
(CHEMBL3939100 | US10167270, Example 00162)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H19N3/c1-2-8-16(9-3-1)22-25-21-13-7-6-12-20(21)23(26-22)24-19-14-17-10-4-5-11-18(17)15-19/h1-13,19H,14-15H2,(H,24,25,26)
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n/an/a 6.5n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196521
PNG
(CHEMBL3939100 | US10167270, Example 00162)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H19N3/c1-2-8-16(9-3-1)22-25-21-13-7-6-12-20(21)23(26-22)24-19-14-17-10-4-5-11-18(17)15-19/h1-13,19H,14-15H2,(H,24,25,26)
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Assay Description
pH = 5.9.


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196623
PNG
(CHEMBL3976182 | US10167270, Example 00164)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1
Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)
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n/an/a 6.60n/an/an/an/an/an/a



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Assay Description
pH = 7.0.


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196528
PNG
(CHEMBL3923120 | US10167270, Example 00161)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H18N4/c1-2-7-16-13-18(12-15(16)6-1)24-22-19-9-3-4-10-20(19)25-21(26-22)17-8-5-11-23-14-17/h1-11,14,18H,12-13H2,(H,24,25,26)
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n/an/a 7n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313445
PNG
(US10167270, Example 142)
Show SMILES Nc1ccc(cc1)-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1
Show InChI InChI=1S/C23H20N4/c24-18-11-9-15(10-12-18)22-26-21-8-4-3-7-20(21)23(27-22)25-19-13-16-5-1-2-6-17(16)14-19/h1-12,19H,13-14,24H2,(H,25,26,27)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313448
PNG
(US10167270, Example 147)
Show SMILES NCCCCCC(=O)Nc1ccc(cc1)-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1
Show InChI InChI=1S/C29H31N5O/c30-17-7-1-2-12-27(35)31-23-15-13-20(14-16-23)28-33-26-11-6-5-10-25(26)29(34-28)32-24-18-21-8-3-4-9-22(21)19-24/h3-6,8-11,13-16,24H,1-2,7,12,17-19,30H2,(H,31,35)(H,32,33,34)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196519
PNG
(CHEMBL3930102 | US10167270, Example 00163)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1cccs1
Show InChI InChI=1S/C21H17N3S/c1-2-7-15-13-16(12-14(15)6-1)22-20-17-8-3-4-9-18(17)23-21(24-20)19-10-5-11-25-19/h1-11,16H,12-13H2,(H,22,23,24)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196519
PNG
(CHEMBL3930102 | US10167270, Example 00163)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1cccs1
Show InChI InChI=1S/C21H17N3S/c1-2-7-15-13-16(12-14(15)6-1)22-20-17-8-3-4-9-18(17)23-21(24-20)19-10-5-11-25-19/h1-11,16H,12-13H2,(H,22,23,24)
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Northwestern University

US Patent


Assay Description
pH = 5.9.


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196528
PNG
(CHEMBL3923120 | US10167270, Example 00161)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H18N4/c1-2-7-16-13-18(12-15(16)6-1)24-22-19-9-3-4-10-20(19)25-21(26-22)17-8-5-11-23-14-17/h1-11,14,18H,12-13H2,(H,24,25,26)
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Northwestern University

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Assay Description
pH = 5.9.


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196528
PNG
(CHEMBL3923120 | US10167270, Example 00161)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H18N4/c1-2-7-16-13-18(12-15(16)6-1)24-22-19-9-3-4-10-20(19)25-21(26-22)17-8-5-11-23-14-17/h1-11,14,18H,12-13H2,(H,24,25,26)
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n/an/a 8.30n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196622
PNG
(CHEMBL3923147 | US10167270, Example 00160)
Show SMILES C1Cc2ccccc2C[C@@H]1Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m1/s1
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196514
PNG
(CHEMBL3950881 | US10167270, Example 00159)
Show SMILES C1Cc2ccccc2C[C@H]1Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m0/s1
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Assay Description
pH = 5.9.


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196623
PNG
(CHEMBL3976182 | US10167270, Example 00164)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccsc1
Show InChI InChI=1S/C21H17N3S/c1-2-6-15-12-17(11-14(15)5-1)22-21-18-7-3-4-8-19(18)23-20(24-21)16-9-10-25-13-16/h1-10,13,17H,11-12H2,(H,22,23,24)
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n/an/a 8.90n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
pH = 5.0.


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196521
PNG
(CHEMBL3939100 | US10167270, Example 00162)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H19N3/c1-2-8-16(9-3-1)22-25-21-13-7-6-12-20(21)23(26-22)24-19-14-17-10-4-5-11-18(17)15-19/h1-13,19H,14-15H2,(H,24,25,26)
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n/an/a 9.40n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
pH = 7.0.


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196514
PNG
(CHEMBL3950881 | US10167270, Example 00159)
Show SMILES C1Cc2ccccc2C[C@H]1Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m0/s1
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n/an/a 9.90n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196622
PNG
(CHEMBL3923147 | US10167270, Example 00160)
Show SMILES C1Cc2ccccc2C[C@@H]1Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m1/s1
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n/an/a 9.90n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
pH = 5.9.


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196622
PNG
(CHEMBL3923147 | US10167270, Example 00160)
Show SMILES C1Cc2ccccc2C[C@@H]1Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196521
PNG
(CHEMBL3939100 | US10167270, Example 00162)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H19N3/c1-2-8-16(9-3-1)22-25-21-13-7-6-12-20(21)23(26-22)24-19-14-17-10-4-5-11-18(17)15-19/h1-13,19H,14-15H2,(H,24,25,26)
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n/an/a 10.5n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
pH = 5.0.


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196634
PNG
(CHEMBL3976949 | US10167270, Compound 11b)
Show SMILES Cc1cncc(c1)-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1
Show InChI InChI=1S/C23H20N4/c1-15-10-18(14-24-13-15)22-26-21-9-5-4-8-20(21)23(27-22)25-19-11-16-6-2-3-7-17(16)12-19/h2-10,13-14,19H,11-12H2,1H3,(H,25,26,27)
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n/an/a 12.5n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196528
PNG
(CHEMBL3923120 | US10167270, Example 00161)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H18N4/c1-2-7-16-13-18(12-15(16)6-1)24-22-19-9-3-4-10-20(19)25-21(26-22)17-8-5-11-23-14-17/h1-11,14,18H,12-13H2,(H,24,25,26)
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n/an/a 12.7n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
pH = 7.0.


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196519
PNG
(CHEMBL3930102 | US10167270, Example 00163)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1cccs1
Show InChI InChI=1S/C21H17N3S/c1-2-7-15-13-16(12-14(15)6-1)22-20-17-8-3-4-9-18(17)23-21(24-20)19-10-5-11-25-19/h1-11,16H,12-13H2,(H,22,23,24)
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n/an/a 12.9n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
pH = 7.0.


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196519
PNG
(CHEMBL3930102 | US10167270, Example 00163)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1cccs1
Show InChI InChI=1S/C21H17N3S/c1-2-7-15-13-16(12-14(15)6-1)22-20-17-8-3-4-9-18(17)23-21(24-20)19-10-5-11-25-19/h1-11,16H,12-13H2,(H,22,23,24)
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n/an/a 13.9n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
pH = 5.0.


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196514
PNG
(CHEMBL3950881 | US10167270, Example 00159)
Show SMILES C1Cc2ccccc2C[C@H]1Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m0/s1
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n/an/a 16.9n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
pH = 7.0.


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196622
PNG
(CHEMBL3923147 | US10167270, Example 00160)
Show SMILES C1Cc2ccccc2C[C@@H]1Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m1/s1
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n/an/a 18.8n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
pH = 7.0.


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196535
PNG
(CHEMBL3948124 | US10167270, Compound 6a)
Show SMILES CC1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H22N4/c1-14-8-10-16(11-9-14)22-20-17-6-2-3-7-18(17)23-19(24-20)15-5-4-12-21-13-15/h2-7,12-14,16H,8-11H2,1H3,(H,22,23,24)
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n/an/a 20n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313316
PNG
(US10167270, Compound 6c)
Show SMILES C[C@H]1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H22N4/c1-14-8-10-16(11-9-14)22-20-17-6-2-3-7-18(17)23-19(24-20)15-5-4-12-21-13-15/h2-7,12-14,16H,8-11H2,1H3,(H,22,23,24)/t14-,16?
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n/an/a 20n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196610
PNG
(CHEMBL3956552 | US10167270, Compound 11h)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C21H17N3O/c1-2-7-15-13-16(12-14(15)6-1)22-20-17-8-3-4-9-18(17)23-21(24-20)19-10-5-11-25-19/h1-11,16H,12-13H2,(H,22,23,24)
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n/an/a 21.1n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196514
PNG
(CHEMBL3950881 | US10167270, Example 00159)
Show SMILES C1Cc2ccccc2C[C@H]1Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m0/s1
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n/an/a 22.4n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
pH = 5.0.


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196528
PNG
(CHEMBL3923120 | US10167270, Example 00161)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H18N4/c1-2-7-16-13-18(12-15(16)6-1)24-22-19-9-3-4-10-20(19)25-21(26-22)17-8-5-11-23-14-17/h1-11,14,18H,12-13H2,(H,24,25,26)
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n/an/a 25.9n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
pH = 5.0.


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196531
PNG
(CHEMBL3964444 | US10167270, Compound 7a)
Show SMILES C1CCCC(CCC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H24N4/c1-2-4-10-17(11-5-3-1)23-21-18-12-6-7-13-19(18)24-20(25-21)16-9-8-14-22-15-16/h6-9,12-15,17H,1-5,10-11H2,(H,23,24,25)
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n/an/a 27n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196531
PNG
(CHEMBL3964444 | US10167270, Compound 7a)
Show SMILES C1CCCC(CCC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H24N4/c1-2-4-10-17(11-5-3-1)23-21-18-12-6-7-13-19(18)24-20(25-21)16-9-8-14-22-15-16/h6-9,12-15,17H,1-5,10-11H2,(H,23,24,25)
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n/an/a 28n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196524
PNG
(CHEMBL3968646 | US10167270, Compound 11c)
Show SMILES Cc1ccc(cn1)-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1
Show InChI InChI=1S/C23H20N4/c1-15-10-11-18(14-24-15)22-26-21-9-5-4-8-20(21)23(27-22)25-19-12-16-6-2-3-7-17(16)13-19/h2-11,14,19H,12-13H2,1H3,(H,25,26,27)
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n/an/a 29.4n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196622
PNG
(CHEMBL3923147 | US10167270, Example 00160)
Show SMILES C1Cc2ccccc2C[C@@H]1Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H20N4/c1-2-7-17-14-19(12-11-16(17)6-1)25-23-20-9-3-4-10-21(20)26-22(27-23)18-8-5-13-24-15-18/h1-10,13,15,19H,11-12,14H2,(H,25,26,27)/t19-/m1/s1
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n/an/a 30.1n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
pH = 5.0.


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313447
PNG
(US10167270, Example 146)
Show SMILES CC(C)(C)OC(=O)NCCOCCOCC(=O)Nc1ccc(cc1)-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1
Show InChI InChI=1S/C34H39N5O5/c1-34(2,3)44-33(41)35-16-17-42-18-19-43-22-30(40)36-26-14-12-23(13-15-26)31-38-29-11-7-6-10-28(29)32(39-31)37-27-20-24-8-4-5-9-25(24)21-27/h4-15,27H,16-22H2,1-3H3,(H,35,41)(H,36,40)(H,37,38,39)
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n/an/a 39.8n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196530
PNG
(CHEMBL3974789 | US10167270, Compound 7b)
Show SMILES C1CCCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H22N4/c1-2-4-10-16(9-3-1)22-20-17-11-5-6-12-18(17)23-19(24-20)15-8-7-13-21-14-15/h5-8,11-14,16H,1-4,9-10H2,(H,22,23,24)
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n/an/a 42n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196535
PNG
(CHEMBL3948124 | US10167270, Compound 6a)
Show SMILES CC1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H22N4/c1-14-8-10-16(11-9-14)22-20-17-6-2-3-7-18(17)23-19(24-20)15-5-4-12-21-13-15/h2-7,12-14,16H,8-11H2,1H3,(H,22,23,24)
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n/an/a 56n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196535
PNG
(CHEMBL3948124 | US10167270, Compound 6a)
Show SMILES CC1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H22N4/c1-14-8-10-16(11-9-14)22-20-17-6-2-3-7-18(17)23-19(24-20)15-5-4-12-21-13-15/h2-7,12-14,16H,8-11H2,1H3,(H,22,23,24)
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n/an/a 56n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196530
PNG
(CHEMBL3974789 | US10167270, Compound 7b)
Show SMILES C1CCCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H22N4/c1-2-4-10-16(9-3-1)22-20-17-11-5-6-12-18(17)23-19(24-20)15-8-7-13-21-14-15/h5-8,11-14,16H,1-4,9-10H2,(H,22,23,24)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313308
PNG
(US10167270, Example 86)
Show SMILES CC1CCCC(C1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H22N4/c1-14-6-4-8-16(12-14)22-20-17-9-2-3-10-18(17)23-19(24-20)15-7-5-11-21-13-15/h2-3,5,7,9-11,13-14,16H,4,6,8,12H2,1H3,(H,22,23,24)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313418
PNG
(US10167270, Example 98)
Show SMILES Oc1ccc2CC[C@@H](Cc2c1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H20N4O/c28-19-10-8-15-7-9-18(12-17(15)13-19)25-23-20-5-1-2-6-21(20)26-22(27-23)16-4-3-11-24-14-16/h1-6,8,10-11,13-14,18,28H,7,9,12H2,(H,25,26,27)/t18-/m0/s1
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313268
PNG
(US10167270, Example 48)
Show SMILES CC1CCCCC1Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H22N4/c1-14-7-2-4-10-17(14)22-20-16-9-3-5-11-18(16)23-19(24-20)15-8-6-12-21-13-15/h3,5-6,8-9,11-14,17H,2,4,7,10H2,1H3,(H,22,23,24)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50033286
PNG
(CHEMBL544818 | Phenethyl-(2-pyridin-3-yl-quinazoli...)
Show SMILES C(Cc1ccccc1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H18N4/c1-2-7-16(8-3-1)12-14-23-21-18-10-4-5-11-19(18)24-20(25-21)17-9-6-13-22-15-17/h1-11,13,15H,12,14H2,(H,23,24,25)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50033286
PNG
(CHEMBL544818 | Phenethyl-(2-pyridin-3-yl-quinazoli...)
Show SMILES C(Cc1ccccc1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H18N4/c1-2-7-16(8-3-1)12-14-23-21-18-10-4-5-11-19(18)24-20(25-21)17-9-6-13-22-15-17/h1-11,13,15H,12,14H2,(H,23,24,25)
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Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196536
PNG
(CHEMBL3906252 | US10167270, Compound 11a)
Show SMILES Cc1ccncc1-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1
Show InChI InChI=1S/C23H20N4/c1-15-10-11-24-14-20(15)23-26-21-9-5-4-8-19(21)22(27-23)25-18-12-16-6-2-3-7-17(16)13-18/h2-11,14,18H,12-13H2,1H3,(H,25,26,27)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196627
PNG
(CHEMBL3929224 | US10167270, Compound 6b)
Show SMILES CCC1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H24N4/c1-2-15-9-11-17(12-10-15)23-21-18-7-3-4-8-19(18)24-20(25-21)16-6-5-13-22-14-16/h3-8,13-15,17H,2,9-12H2,1H3,(H,23,24,25)
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Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196627
PNG
(CHEMBL3929224 | US10167270, Compound 6b)
Show SMILES CCC1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H24N4/c1-2-15-9-11-17(12-10-15)23-21-18-7-3-4-8-19(18)24-20(25-21)16-6-5-13-22-14-16/h3-8,13-15,17H,2,9-12H2,1H3,(H,23,24,25)
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Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313422
PNG
(US10167270, Example 108)
Show SMILES C(CCCCCNc1nc(nc2ccccc12)-c1cccnc1)CCCCNc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C36H38N8/c1(3-5-11-23-39-35-29-17-7-9-19-31(29)41-33(43-35)27-15-13-21-37-25-27)2-4-6-12-24-40-36-30-18-8-10-20-32(30)42-34(44-36)28-16-14-22-38-26-28/h7-10,13-22,25-26H,1-6,11-12,23-24H2,(H,39,41,43)(H,40,42,44)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313277
PNG
(US10167270, Example 55)
Show SMILES Fc1cccc(CCNc2nc(nc3ccccc23)-c2cccnc2)c1
Show InChI InChI=1S/C21H17FN4/c22-17-7-3-5-15(13-17)10-12-24-21-18-8-1-2-9-19(18)25-20(26-21)16-6-4-11-23-14-16/h1-9,11,13-14H,10,12H2,(H,24,25,26)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313312
PNG
(US10167270, Example 89)
Show SMILES Ic1ccc2CC(Cc2c1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H17IN4/c23-17-8-7-14-11-18(12-16(14)10-17)25-22-19-5-1-2-6-20(19)26-21(27-22)15-4-3-9-24-13-15/h1-10,13,18H,11-12H2,(H,25,26,27)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196522
PNG
(CHEMBL3957610 | US10167270, Compound 11e)
Show SMILES C1C(Cc2ccccc12)Nc1nc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C22H18N4/c1-2-6-17-14-18(13-16(17)5-1)24-22-19-7-3-4-8-20(19)25-21(26-22)15-9-11-23-12-10-15/h1-12,18H,13-14H2,(H,24,25,26)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196518
PNG
(CHEMBL3920301 | US10167270, Compound 4)
Show SMILES C1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C19H20N4/c1-2-8-15(9-3-1)21-19-16-10-4-5-11-17(16)22-18(23-19)14-7-6-12-20-13-14/h4-7,10-13,15H,1-3,8-9H2,(H,21,22,23)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196518
PNG
(CHEMBL3920301 | US10167270, Compound 4)
Show SMILES C1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C19H20N4/c1-2-8-15(9-3-1)21-19-16-10-4-5-11-17(16)22-18(23-19)14-7-6-12-20-13-14/h4-7,10-13,15H,1-3,8-9H2,(H,21,22,23)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313420
PNG
(US10167270, Example 100)
Show SMILES Brc1ccc2CC(Cc2c1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H17BrN4/c23-17-8-7-14-11-18(12-16(14)10-17)25-22-19-5-1-2-6-20(19)26-21(27-22)15-4-3-9-24-13-15/h1-10,13,18H,11-12H2,(H,25,26,27)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196517
PNG
(CHEMBL3980248 | US10167270, Compound 6f)
Show SMILES FC1(F)CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C19H18F2N4/c20-19(21)9-7-14(8-10-19)23-18-15-5-1-2-6-16(15)24-17(25-18)13-4-3-11-22-12-13/h1-6,11-12,14H,7-10H2,(H,23,24,25)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196633
PNG
(CHEMBL3965871 | US10167270, Compound 6d)
Show SMILES COC1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H22N4O/c1-25-16-10-8-15(9-11-16)22-20-17-6-2-3-7-18(17)23-19(24-20)14-5-4-12-21-13-14/h2-7,12-13,15-16H,8-11H2,1H3,(H,22,23,24)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196633
PNG
(CHEMBL3965871 | US10167270, Compound 6d)
Show SMILES COC1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H22N4O/c1-25-16-10-8-15(9-11-16)22-20-17-6-2-3-7-18(17)23-19(24-20)14-5-4-12-21-13-14/h2-7,12-13,15-16H,8-11H2,1H3,(H,22,23,24)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196631
PNG
(CHEMBL3898722 | US10167270, Compound 7i)
Show SMILES C(CC1CCCCC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H24N4/c1-2-7-16(8-3-1)12-14-23-21-18-10-4-5-11-19(18)24-20(25-21)17-9-6-13-22-15-17/h4-6,9-11,13,15-16H,1-3,7-8,12,14H2,(H,23,24,25)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196635
PNG
(CHEMBL3970989 | US10167270, Compound 7g)
Show SMILES C1CC2CC1CC2Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H20N4/c1-2-6-17-16(5-1)20(23-18-11-13-7-8-14(18)10-13)24-19(22-17)15-4-3-9-21-12-15/h1-6,9,12-14,18H,7-8,10-11H2,(H,22,23,24)
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Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196517
PNG
(CHEMBL3980248 | US10167270, Compound 6f)
Show SMILES FC1(F)CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C19H18F2N4/c20-19(21)9-7-14(8-10-19)23-18-15-5-1-2-6-16(15)24-17(25-18)13-4-3-11-22-12-13/h1-6,11-12,14H,7-10H2,(H,23,24,25)
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Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196624
PNG
(CHEMBL3963682 | US10167270, Compound 7h)
Show SMILES C(Nc1nc(nc2ccccc12)-c1cccnc1)C1CCCCC1
Show InChI InChI=1S/C20H22N4/c1-2-7-15(8-3-1)13-22-20-17-10-4-5-11-18(17)23-19(24-20)16-9-6-12-21-14-16/h4-6,9-12,14-15H,1-3,7-8,13H2,(H,22,23,24)
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n/an/a 354n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196635
PNG
(CHEMBL3970989 | US10167270, Compound 7g)
Show SMILES C1CC2CC1CC2Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H20N4/c1-2-6-17-16(5-1)20(23-18-11-13-7-8-14(18)10-13)24-19(22-17)15-4-3-9-21-12-15/h1-6,9,12-14,18H,7-8,10-11H2,(H,22,23,24)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196624
PNG
(CHEMBL3963682 | US10167270, Compound 7h)
Show SMILES C(Nc1nc(nc2ccccc12)-c1cccnc1)C1CCCCC1
Show InChI InChI=1S/C20H22N4/c1-2-7-15(8-3-1)13-22-20-17-10-4-5-11-18(17)23-19(24-20)16-9-6-12-21-14-16/h4-6,9-12,14-15H,1-3,7-8,13H2,(H,22,23,24)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196533
PNG
(CHEMBL3894465 | US10167270, Compound 6e)
Show SMILES CC1(C)CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H24N4/c1-21(2)11-9-16(10-12-21)23-20-17-7-3-4-8-18(17)24-19(25-20)15-6-5-13-22-14-15/h3-8,13-14,16H,9-12H2,1-2H3,(H,23,24,25)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196533
PNG
(CHEMBL3894465 | US10167270, Compound 6e)
Show SMILES CC1(C)CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H24N4/c1-21(2)11-9-16(10-12-21)23-20-17-7-3-4-8-18(17)24-19(25-20)15-6-5-13-22-14-15/h3-8,13-14,16H,9-12H2,1-2H3,(H,23,24,25)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313305
PNG
(US10167270, Example 84)
Show SMILES CN([C@H]1CCc2ccccc2C1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C24H22N4/c1-28(20-13-12-17-7-2-3-8-18(17)15-20)24-21-10-4-5-11-22(21)26-23(27-24)19-9-6-14-25-16-19/h2-11,14,16,20H,12-13,15H2,1H3/t20-/m0/s1
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313416
PNG
(US10167270, Example 96)
Show SMILES CC(C)(C)OC(=O)NCCC#Cc1ccc2CC(Cc2c1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C31H31N5O2/c1-31(2,3)38-30(37)33-16-7-6-9-21-13-14-22-18-25(19-24(22)17-21)34-29-26-11-4-5-12-27(26)35-28(36-29)23-10-8-15-32-20-23/h4-5,8,10-15,17,20,25H,7,16,18-19H2,1-3H3,(H,33,37)(H,34,35,36)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313248
PNG
(US10167270, Example 27)
Show SMILES C(CC1COc2ccccc2O1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H20N4O2/c1-2-8-19-18(7-1)23(27-22(26-19)16-6-5-12-24-14-16)25-13-11-17-15-28-20-9-3-4-10-21(20)29-17/h1-10,12,14,17H,11,13,15H2,(H,25,26,27)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313410
PNG
(US10167270, Example 90)
Show SMILES Cc1ccc(OCCNc2nc(nc3ccccc23)-c2cccnc2)cc1
Show InChI InChI=1S/C22H20N4O/c1-16-8-10-18(11-9-16)27-14-13-24-22-19-6-2-3-7-20(19)25-21(26-22)17-5-4-12-23-15-17/h2-12,15H,13-14H2,1H3,(H,24,25,26)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313437
PNG
(US10167270, Example 134)
Show SMILES CN(CCOc1ccccc1)c1nc(nc2ccccc12)-c1ccoc1
Show InChI InChI=1S/C21H19N3O2/c1-24(12-14-26-17-7-3-2-4-8-17)21-18-9-5-6-10-19(18)22-20(23-21)16-11-13-25-15-16/h2-11,13,15H,12,14H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196516
PNG
(CHEMBL3968279 | US10167270, Compound 7c)
Show SMILES C1CCC(C1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C18H18N4/c1-2-8-14(7-1)20-18-15-9-3-4-10-16(15)21-17(22-18)13-6-5-11-19-12-13/h3-6,9-12,14H,1-2,7-8H2,(H,20,21,22)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196516
PNG
(CHEMBL3968279 | US10167270, Compound 7c)
Show SMILES C1CCC(C1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C18H18N4/c1-2-8-14(7-1)20-18-15-9-3-4-10-16(15)21-17(22-18)13-6-5-11-19-12-13/h3-6,9-12,14H,1-2,7-8H2,(H,20,21,22)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196527
PNG
(CHEMBL3970658 | US10167270, Compound 9e)
Show SMILES C1Cc2ccccc2C1Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H18N4/c1-2-8-17-15(6-1)11-12-20(17)25-22-18-9-3-4-10-19(18)24-21(26-22)16-7-5-13-23-14-16/h1-10,13-14,20H,11-12H2,(H,24,25,26)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196631
PNG
(CHEMBL3898722 | US10167270, Compound 7i)
Show SMILES C(CC1CCCCC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H24N4/c1-2-7-16(8-3-1)12-14-23-21-18-10-4-5-11-19(18)24-20(25-21)17-9-6-13-22-15-17/h4-6,9-11,13,15-16H,1-3,7-8,12,14H2,(H,23,24,25)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196628
PNG
(CHEMBL3932095 | US10167270, Compound 9d)
Show SMILES C1CC(Nc2nc(nc3ccccc23)-c2cccnc2)c2ccccc2C1
Show InChI InChI=1S/C23H20N4/c1-2-10-18-16(7-1)8-5-13-20(18)26-23-19-11-3-4-12-21(19)25-22(27-23)17-9-6-14-24-15-17/h1-4,6-7,9-12,14-15,20H,5,8,13H2,(H,25,26,27)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313231
PNG
(US10167270, Example 10)
Show SMILES CN(Cc1cnc2ccccc2n1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H18N6/c1-29(15-17-14-25-20-10-4-5-11-21(20)26-17)23-18-8-2-3-9-19(18)27-22(28-23)16-7-6-12-24-13-16/h2-14H,15H2,1H3
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196632
PNG
(CHEMBL3921895 | US10167270, Compound 6h)
Show SMILES C1COCC(C1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C18H18N4O/c1-2-8-16-15(7-1)18(20-14-6-4-10-23-12-14)22-17(21-16)13-5-3-9-19-11-13/h1-3,5,7-9,11,14H,4,6,10,12H2,(H,20,21,22)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313419
PNG
(US10167270, Example 99)
Show SMILES NCCC#Cc1ccc2CC(Cc2c1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C26H23N5/c27-12-4-3-6-18-10-11-19-15-22(16-21(19)14-18)29-26-23-8-1-2-9-24(23)30-25(31-26)20-7-5-13-28-17-20/h1-2,5,7-11,13-14,17,22H,4,12,15-16,27H2,(H,29,30,31)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196527
PNG
(CHEMBL3970658 | US10167270, Compound 9e)
Show SMILES C1Cc2ccccc2C1Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H18N4/c1-2-8-17-15(6-1)11-12-20(17)25-22-18-9-3-4-10-19(18)24-21(26-22)16-7-5-13-23-14-16/h1-10,13-14,20H,11-12H2,(H,24,25,26)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196632
PNG
(CHEMBL3921895 | US10167270, Compound 6h)
Show SMILES C1COCC(C1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C18H18N4O/c1-2-8-16-15(7-1)18(20-14-6-4-10-23-12-14)22-17(21-16)13-5-3-9-19-11-13/h1-3,5,7-9,11,14H,4,6,10,12H2,(H,20,21,22)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196525
PNG
(CHEMBL3908863 | US10167270, Compound 7f)
Show SMILES C1C2CC3CC1CC(C2)(C3)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H24N4/c1-2-6-20-19(5-1)22(26-21(25-20)18-4-3-7-24-14-18)27-23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,14-17H,8-13H2,(H,25,26,27)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313247
PNG
(US10167270, Example 26)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C24H23N5O2S/c1-18-8-10-20(11-9-18)32(30,31)29-15-13-28(14-16-29)24-21-6-2-3-7-22(21)26-23(27-24)19-5-4-12-25-17-19/h2-12,17H,13-16H2,1H3
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313233
PNG
(US10167270, Example 11)
Show SMILES CN(Cc1ccc2OCOc2c1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H18N4O2/c1-26(13-15-8-9-19-20(11-15)28-14-27-19)22-17-6-2-3-7-18(17)24-21(25-22)16-5-4-10-23-12-16/h2-12H,13-14H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313235
PNG
(US10167270, Example 14)
Show SMILES CN(Cc1nc2ccccc2s1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H17N5S/c1-27(14-20-24-18-10-4-5-11-19(18)28-20)22-16-8-2-3-9-17(16)25-21(26-22)15-7-6-12-23-13-15/h2-13H,14H2,1H3
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196515
PNG
(CHEMBL3913022 | US10167270, Compound 8f)
Show SMILES C(Cc1ccccn1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H17N5/c1-2-9-18-17(8-1)20(23-13-10-16-7-3-4-12-22-16)25-19(24-18)15-6-5-11-21-14-15/h1-9,11-12,14H,10,13H2,(H,23,24,25)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196628
PNG
(CHEMBL3932095 | US10167270, Compound 9d)
Show SMILES C1CC(Nc2nc(nc3ccccc23)-c2cccnc2)c2ccccc2C1
Show InChI InChI=1S/C23H20N4/c1-2-10-18-16(7-1)8-5-13-20(18)26-23-19-11-3-4-12-21(19)25-22(27-23)17-9-6-14-24-15-17/h1-4,6-7,9-12,14-15,20H,5,8,13H2,(H,25,26,27)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196525
PNG
(CHEMBL3908863 | US10167270, Compound 7f)
Show SMILES C1C2CC3CC1CC(C2)(C3)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H24N4/c1-2-6-20-19(5-1)22(26-21(25-20)18-4-3-7-24-14-18)27-23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,14-17H,8-13H2,(H,25,26,27)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313434
PNG
(US10167270, Example 128)
Show SMILES CN(CCOc1ccccc1)c1nc(nc2ccccc12)-c1ccccc1F
Show InChI InChI=1S/C23H20FN3O/c1-27(15-16-28-17-9-3-2-4-10-17)23-19-12-6-8-14-21(19)25-22(26-23)18-11-5-7-13-20(18)24/h2-14H,15-16H2,1H3
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313433
PNG
(US10167270, Example 127)
Show SMILES CN(CCOc1ccccc1)c1nc(nc2ccccc12)-c1cncnc1
Show InChI InChI=1S/C21H19N5O/c1-26(11-12-27-17-7-3-2-4-8-17)21-18-9-5-6-10-19(18)24-20(25-21)16-13-22-15-23-14-16/h2-10,13-15H,11-12H2,1H3
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196626
PNG
(CHEMBL3972062 | US10167270, Compound 8e)
Show SMILES C(CCc1ccccc1)CNc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H22N4/c1-2-9-18(10-3-1)11-6-7-16-25-23-20-13-4-5-14-21(20)26-22(27-23)19-12-8-15-24-17-19/h1-5,8-10,12-15,17H,6-7,11,16H2,(H,25,26,27)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313294
PNG
(US10167270, Example 72)
Show SMILES C(Cc1c[nH]c2ccccc12)Nc1nc(nc2ccccc12)-c1cccnc1
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196515
PNG
(CHEMBL3913022 | US10167270, Compound 8f)
Show SMILES C(Cc1ccccn1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H17N5/c1-2-9-18-17(8-1)20(23-13-10-16-7-3-4-12-22-16)25-19(24-18)15-6-5-11-21-14-15/h1-9,11-12,14H,10,13H2,(H,23,24,25)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196630
PNG
(CHEMBL3942452 | US10167270, Compound 8d)
Show SMILES C(CNc1nc(nc2ccccc12)-c1cccnc1)Cc1ccccc1
Show InChI InChI=1S/C22H20N4/c1-2-8-17(9-3-1)10-6-15-24-22-19-12-4-5-13-20(19)25-21(26-22)18-11-7-14-23-16-18/h1-5,7-9,11-14,16H,6,10,15H2,(H,24,25,26)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313238
PNG
(US10167270, Example 17)
Show SMILES CN(Cc1ccc2ccccc2c1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C25H20N4/c1-29(17-18-12-13-19-7-2-3-8-20(19)15-18)25-22-10-4-5-11-23(22)27-24(28-25)21-9-6-14-26-16-21/h2-16H,17H2,1H3
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196626
PNG
(CHEMBL3972062 | US10167270, Compound 8e)
Show SMILES C(CCc1ccccc1)CNc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H22N4/c1-2-9-18(10-3-1)11-6-7-16-25-23-20-13-4-5-14-21(20)26-22(27-23)19-12-8-15-24-17-19/h1-5,8-10,12-15,17H,6-7,11,16H2,(H,25,26,27)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313296
PNG
(US10167270, Example 75)
Show SMILES CN(C1CCc2ccccc2C1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C24H22N4/c1-28(20-13-12-17-7-2-3-8-18(17)15-20)24-21-10-4-5-11-22(21)26-23(27-24)19-9-6-14-25-16-19/h2-11,14,16,20H,12-13,15H2,1H3
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM42310
PNG
(2,3-dihydro-1,4-benzodioxin-3-ylmethyl-methyl-[2-(...)
Show SMILES CN(CC1COc2ccccc2O1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H20N4O2/c1-27(14-17-15-28-20-10-4-5-11-21(20)29-17)23-18-8-2-3-9-19(18)25-22(26-23)16-7-6-12-24-13-16/h2-13,17H,14-15H2,1H3
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196630
PNG
(CHEMBL3942452 | US10167270, Compound 8d)
Show SMILES C(CNc1nc(nc2ccccc12)-c1cccnc1)Cc1ccccc1
Show InChI InChI=1S/C22H20N4/c1-2-8-17(9-3-1)10-6-15-24-22-19-12-4-5-13-20(19)25-21(26-22)18-11-7-14-23-16-18/h1-5,7-9,11-14,16H,6,10,15H2,(H,24,25,26)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313295
PNG
(US10167270, Example 73)
Show SMILES Cc1ccc(CCNc2nc(nc3ccccc23)-c2cccnc2)cc1
Show InChI InChI=1S/C22H20N4/c1-16-8-10-17(11-9-16)12-14-24-22-19-6-2-3-7-20(19)25-21(26-22)18-5-4-13-23-15-18/h2-11,13,15H,12,14H2,1H3,(H,24,25,26)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313293
PNG
(US10167270, Example 71)
Show SMILES Nc1ccc(CCNc2nc(nc3ccccc23)-c2cccnc2)cc1
Show InChI InChI=1S/C21H19N5/c22-17-9-7-15(8-10-17)11-13-24-21-18-5-1-2-6-19(18)25-20(26-21)16-4-3-12-23-14-16/h1-10,12,14H,11,13,22H2,(H,24,25,26)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313245
PNG
(US10167270, Example 24)
Show SMILES CN(Cc1scc2OCCOc12)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H18N4O2S/c1-25(12-18-19-17(13-28-18)26-9-10-27-19)21-15-6-2-3-7-16(15)23-20(24-21)14-5-4-8-22-11-14/h2-8,11,13H,9-10,12H2,1H3
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313224
PNG
(US10167270, Example 2)
Show SMILES CN(C1Cc2ccccc2C1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H20N4/c1-27(19-13-16-7-2-3-8-17(16)14-19)23-20-10-4-5-11-21(20)25-22(26-23)18-9-6-12-24-15-18/h2-12,15,19H,13-14H2,1H3
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313286
PNG
(US10167270, Example 64)
Show SMILES C1CC2CCC1N2c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C19H18N4/c1-2-6-17-16(5-1)19(23-14-7-8-15(23)10-9-14)22-18(21-17)13-4-3-11-20-12-13/h1-6,11-12,14-15H,7-10H2
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313250
PNG
(US10167270, Example 29)
Show SMILES O=C(C1COc2ccccc2O1)N1CCN(CC1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C26H23N5O3/c32-26(23-17-33-21-9-3-4-10-22(21)34-23)31-14-12-30(13-15-31)25-19-7-1-2-8-20(19)28-24(29-25)18-6-5-11-27-16-18/h1-11,16,23H,12-15,17H2
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313415
PNG
(US10167270, Example 95)
Show SMILES CCCCCCCCNc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H26N4/c1-2-3-4-5-6-9-15-23-21-18-12-7-8-13-19(18)24-20(25-21)17-11-10-14-22-16-17/h7-8,10-14,16H,2-6,9,15H2,1H3,(H,23,24,25)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313304
PNG
(US10167270, Example 83)
Show SMILES C(C1CCCCN1c1nc(nc2ccccc12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C25H24N4/c1-2-9-19(10-3-1)17-21-12-6-7-16-29(21)25-22-13-4-5-14-23(22)27-24(28-25)20-11-8-15-26-18-20/h1-5,8-11,13-15,18,21H,6-7,12,16-17H2
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313438
PNG
(US10167270, Example 135)
Show SMILES COc1ccccc1OCCN(C)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H22N4O2/c1-27(14-15-29-21-12-6-5-11-20(21)28-2)23-18-9-3-4-10-19(18)25-22(26-23)17-8-7-13-24-16-17/h3-13,16H,14-15H2,1-2H3
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313309
PNG
(US10167270, Example 87)
Show SMILES C(C1CCCN(C1)c1nc(nc2ccccc12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C25H24N4/c1-2-8-19(9-3-1)16-20-10-7-15-29(18-20)25-22-12-4-5-13-23(22)27-24(28-25)21-11-6-14-26-17-21/h1-6,8-9,11-14,17,20H,7,10,15-16,18H2
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313417
PNG
(US10167270, Example 97)
Show SMILES CC(COc1ccccc1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H20N4O/c1-16(15-27-18-9-3-2-4-10-18)24-22-19-11-5-6-12-20(19)25-21(26-22)17-8-7-13-23-14-17/h2-14,16H,15H2,1H3,(H,24,25,26)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313414
PNG
(US10167270, Example 94)
Show SMILES C1Cc2c(CN1c1nc(nc3ccccc13)-c1cccnc1)[nH]c1ccccc21
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313249
PNG
(US10167270, Example 28)
Show SMILES CCN(CC1COc2ccccc2O1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C24H22N4O2/c1-2-28(15-18-16-29-21-11-5-6-12-22(21)30-18)24-19-9-3-4-10-20(19)26-23(27-24)17-8-7-13-25-14-17/h3-14,18H,2,15-16H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313411
PNG
(US10167270, Example 91)
Show SMILES C(CNc1nc(nc2ccccc12)-c1cccnc1)COc1ccccc1
Show InChI InChI=1S/C22H20N4O/c1-2-9-18(10-3-1)27-15-7-14-24-22-19-11-4-5-12-20(19)25-21(26-22)17-8-6-13-23-16-17/h1-6,8-13,16H,7,14-15H2,(H,24,25,26)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196520
PNG
(CHEMBL3944808 | US10167270, Compound 7d)
Show SMILES C1CC(C1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C17H16N4/c1-2-9-15-14(8-1)17(19-13-6-3-7-13)21-16(20-15)12-5-4-10-18-11-12/h1-2,4-5,8-11,13H,3,6-7H2,(H,19,20,21)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313251
PNG
(US10167270, Example 30)
Show SMILES C(C1COc2ccccc2O1)N1CCN(CC1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C26H25N5O2/c1-2-8-22-21(7-1)26(29-25(28-22)19-6-5-11-27-16-19)31-14-12-30(13-15-31)17-20-18-32-23-9-3-4-10-24(23)33-20/h1-11,16,20H,12-15,17-18H2
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313237
PNG
(US10167270, Example 16)
Show SMILES COc1ccccc1CN(C)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H20N4O/c1-26(15-17-8-3-6-12-20(17)27-2)22-18-10-4-5-11-19(18)24-21(25-22)16-9-7-13-23-14-16/h3-14H,15H2,1-2H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313256
PNG
(US10167270, Example 32)
Show SMILES CN(CCC1COc2ccccc2O1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C24H22N4O2/c1-28(14-12-18-16-29-21-10-4-5-11-22(21)30-18)24-19-8-2-3-9-20(19)26-23(27-24)17-7-6-13-25-15-17/h2-11,13,15,18H,12,14,16H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313429
PNG
(US10167270, Example 120)
Show SMILES CN(CCCCc1ccccc1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C24H24N4/c1-28(17-8-7-12-19-10-3-2-4-11-19)24-21-14-5-6-15-22(21)26-23(27-24)20-13-9-16-25-18-20/h2-6,9-11,13-16,18H,7-8,12,17H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313439
PNG
(US10167270, Example 136)
Show SMILES CN(CCOc1ccc(C)cc1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H22N4O/c1-17-9-11-19(12-10-17)28-15-14-27(2)23-20-7-3-4-8-21(20)25-22(26-23)18-6-5-13-24-16-18/h3-13,16H,14-15H2,1-2H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313242
PNG
(US10167270, Example 21)
Show SMILES CN(Cc1ccc2nsnc2c1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H16N6S/c1-27(13-14-8-9-18-19(11-14)26-28-25-18)21-16-6-2-3-7-17(16)23-20(24-21)15-5-4-10-22-12-15/h2-12H,13H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313435
PNG
(US10167270, Example 130)
Show SMILES CN(CCOc1ccccc1)c1nc(nc2ccccc12)-c1ccncc1
Show InChI InChI=1S/C22H20N4O/c1-26(15-16-27-18-7-3-2-4-8-18)22-19-9-5-6-10-20(19)24-21(25-22)17-11-13-23-14-12-17/h2-14H,15-16H2,1H3
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313240
PNG
(US10167270, Example 19)
Show SMILES CN(Cc1ccc2OCCOc2c1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H20N4O2/c1-27(15-16-8-9-20-21(13-16)29-12-11-28-20)23-18-6-2-3-7-19(18)25-22(26-23)17-5-4-10-24-14-17/h2-10,13-14H,11-12,15H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196523
PNG
(CHEMBL3914158 | US10167270, Compound 8g)
Show SMILES C(Cc1cccnc1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H17N5/c1-2-8-18-17(7-1)20(23-12-9-15-5-3-10-21-13-15)25-19(24-18)16-6-4-11-22-14-16/h1-8,10-11,13-14H,9,12H2,(H,23,24,25)
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313281
PNG
(US10167270, Example 59)
Show SMILES CN(CCc1cccc(F)c1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H19FN4/c1-27(13-11-16-6-4-8-18(23)14-16)22-19-9-2-3-10-20(19)25-21(26-22)17-7-5-12-24-15-17/h2-10,12,14-15H,11,13H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196520
PNG
(CHEMBL3944808 | US10167270, Compound 7d)
Show SMILES C1CC(C1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C17H16N4/c1-2-9-15-14(8-1)17(19-13-6-3-7-13)21-16(20-15)12-5-4-10-18-11-12/h1-2,4-5,8-11,13H,3,6-7H2,(H,19,20,21)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313278
PNG
(US10167270, Example 56)
Show SMILES CN(C1CCCCC1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H22N4/c1-24(16-9-3-2-4-10-16)20-17-11-5-6-12-18(17)22-19(23-20)15-8-7-13-21-14-15/h5-8,11-14,16H,2-4,9-10H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313428
PNG
(US10167270, Example 119)
Show SMILES CN(CCCc1ccccc1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H22N4/c1-27(16-8-11-18-9-3-2-4-10-18)23-20-13-5-6-14-21(20)25-22(26-23)19-12-7-15-24-17-19/h2-7,9-10,12-15,17H,8,11,16H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196523
PNG
(CHEMBL3914158 | US10167270, Compound 8g)
Show SMILES C(Cc1cccnc1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H17N5/c1-2-8-18-17(7-1)20(23-12-9-15-5-3-10-21-13-15)25-19(24-18)16-6-4-11-22-14-16/h1-8,10-11,13-14H,9,12H2,(H,23,24,25)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313431
PNG
(US10167270, Example 122)
Show SMILES CN(CCc1ccccc1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H20N4/c1-26(15-13-17-8-3-2-4-9-17)22-19-11-5-6-12-20(19)24-21(25-22)18-10-7-14-23-16-18/h2-12,14,16H,13,15H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313412
PNG
(US10167270, Example 92)
Show SMILES CC(CNc1nc(nc2ccccc12)-c1cccnc1)Oc1ccccc1
Show InChI InChI=1S/C22H20N4O/c1-16(27-18-9-3-2-4-10-18)14-24-22-19-11-5-6-12-20(19)25-21(26-22)17-8-7-13-23-15-17/h2-13,15-16H,14H2,1H3,(H,24,25,26)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313440
PNG
(US10167270, Example 137)
Show SMILES CN(CCCOc1ccccc1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H22N4O/c1-27(15-8-16-28-19-10-3-2-4-11-19)23-20-12-5-6-13-21(20)25-22(26-23)18-9-7-14-24-17-18/h2-7,9-14,17H,8,15-16H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313441
PNG
(US10167270, Example 138)
Show SMILES CC(CN(C)c1nc(nc2ccccc12)-c1cccnc1)Oc1ccccc1
Show InChI InChI=1S/C23H22N4O/c1-17(28-19-10-4-3-5-11-19)16-27(2)23-20-12-6-7-13-21(20)25-22(26-23)18-9-8-14-24-15-18/h3-15,17H,16H2,1-2H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313442
PNG
(US10167270, Example 139)
Show SMILES CC(COc1ccccc1)N(C)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H22N4O/c1-17(16-28-19-10-4-3-5-11-19)27(2)23-20-12-6-7-13-21(20)25-22(26-23)18-9-8-14-24-15-18/h3-15,17H,16H2,1-2H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50033284
PNG
(Benzyl-(2-pyridin-3-yl-quinazolin-4-yl)-amine | CH...)
Show SMILES C(Nc1nc(nc2ccccc12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C20H16N4/c1-2-7-15(8-3-1)13-22-20-17-10-4-5-11-18(17)23-19(24-20)16-9-6-12-21-14-16/h1-12,14H,13H2,(H,22,23,24)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313421
PNG
(US10167270, Example 107)
Show SMILES CN(CCOc1ccc(I)cc1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H19IN4O/c1-27(13-14-28-18-10-8-17(23)9-11-18)22-19-6-2-3-7-20(19)25-21(26-22)16-5-4-12-24-15-16/h2-12,15H,13-14H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313413
PNG
(US10167270, Example 93)
Show SMILES C1Cc2[nH]c3ccccc3c2CN1c1nc(nc2ccccc12)-c1cccnc1
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50033284
PNG
(Benzyl-(2-pyridin-3-yl-quinazolin-4-yl)-amine | CH...)
Show SMILES C(Nc1nc(nc2ccccc12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C20H16N4/c1-2-7-15(8-3-1)13-22-20-17-10-4-5-11-18(17)23-19(24-20)16-9-6-12-21-14-16/h1-12,14H,13H2,(H,22,23,24)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313426
PNG
(US10167270, Example 117)
Show SMILES COC(=O)CCCCCCCCCCc1ccc(OCCN(C)c2nc(nc3ccccc23)-c2cccnc2)cc1
Show InChI InChI=1S/C34H42N4O3/c1-38(34-30-16-11-12-17-31(30)36-33(37-34)28-15-13-23-35-26-28)24-25-41-29-21-19-27(20-22-29)14-9-7-5-3-4-6-8-10-18-32(39)40-2/h11-13,15-17,19-23,26H,3-10,14,18,24-25H2,1-2H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313449
PNG
(US10167270, Example 151)
Show SMILES CN(CCOc1ccc(cc1)C#N)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H19N5O/c1-28(13-14-29-19-10-8-17(15-24)9-11-19)23-20-6-2-3-7-21(20)26-22(27-23)18-5-4-12-25-16-18/h2-12,16H,13-14H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313241
PNG
(US10167270, Example 20)
Show SMILES C(Nc1nc(nc2ccccc12)-c1cccnc1)C1COc2ccccc2O1
Show InChI InChI=1S/C22H18N4O2/c1-2-8-18-17(7-1)22(26-21(25-18)15-6-5-11-23-12-15)24-13-16-14-27-19-9-3-4-10-20(19)28-16/h1-12,16H,13-14H2,(H,24,25,26)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313425
PNG
(US10167270, Example 115)
Show SMILES C1CN(Cc2ccccc2O1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H18N4O/c1-4-10-20-17(6-1)15-26(12-13-27-20)22-18-8-2-3-9-19(18)24-21(25-22)16-7-5-11-23-14-16/h1-11,14H,12-13,15H2
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313236
PNG
(US10167270, Example 15)
Show SMILES CN(Cc1nc2ccccc2[nH]1)c1nc(nc2ccccc12)-c1cccnc1
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313430
PNG
(US10167270, Example 121)
Show SMILES CN(C1CCCCCC1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H24N4/c1-25(17-10-4-2-3-5-11-17)21-18-12-6-7-13-19(18)23-20(24-21)16-9-8-14-22-15-16/h6-9,12-15,17H,2-5,10-11H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313432
PNG
(US10167270, Example 124)
Show SMILES CN(CCOc1ccccc1)c1nc(Cl)nc2ccccc12
Show InChI InChI=1S/C17H16ClN3O/c1-21(11-12-22-13-7-3-2-4-8-13)16-14-9-5-6-10-15(14)19-17(18)20-16/h2-10H,11-12H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313243
PNG
(US10167270, Example 22)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H25N5O2/c1-22(2,3)29-21(28)27-13-11-26(12-14-27)20-17-8-4-5-9-18(17)24-19(25-20)16-7-6-10-23-15-16/h4-10,15H,11-14H2,1-3H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313444
PNG
(US10167270, Example 141)
Show SMILES CN(CCOCc1ccccc1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C23H22N4O/c1-27(14-15-28-17-18-8-3-2-4-9-18)23-20-11-5-6-12-21(20)25-22(26-23)19-10-7-13-24-16-19/h2-13,16H,14-15,17H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313227
PNG
(US10167270, Example 6)
Show SMILES CN(CC1COCCO1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C19H20N4O2/c1-23(12-15-13-24-9-10-25-15)19-16-6-2-3-7-17(16)21-18(22-19)14-5-4-8-20-11-14/h2-8,11,15H,9-10,12-13H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313443
PNG
(US10167270, Example 140)
Show SMILES C(COCc1ccccc1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H20N4O/c1-2-7-17(8-3-1)16-27-14-13-24-22-19-10-4-5-11-20(19)25-21(26-22)18-9-6-12-23-15-18/h1-12,15H,13-14,16H2,(H,24,25,26)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313239
PNG
(US10167270, Example 18)
Show SMILES CN(Cc1nc2ccccc2o1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H17N5O/c1-27(14-20-24-18-10-4-5-11-19(18)28-20)22-16-8-2-3-9-17(16)25-21(26-22)15-7-6-12-23-13-15/h2-13H,14H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313424
PNG
(US10167270, Example 113)
Show SMILES C#CCOCCOCCNc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H20N4O2/c1-2-11-25-13-14-26-12-10-22-20-17-7-3-4-8-18(17)23-19(24-20)16-6-5-9-21-15-16/h1,3-9,15H,10-14H2,(H,22,23,24)
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313228
PNG
(US10167270, Example 7)
Show SMILES CN(Cc1cccnc1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H17N5/c1-25(14-15-6-4-10-21-12-15)20-17-8-2-3-9-18(17)23-19(24-20)16-7-5-11-22-13-16/h2-13H,14H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313230
PNG
(US10167270, Example 9)
Show SMILES CN(Cc1cnccn1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C19H16N6/c1-25(13-15-12-21-9-10-22-15)19-16-6-2-3-7-17(16)23-18(24-19)14-5-4-8-20-11-14/h2-12H,13H2,1H3
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US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313229
PNG
(US10167270, Example 8)
Show SMILES CN(Cc1ccncc1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H17N5/c1-25(14-15-8-11-21-12-9-15)20-17-6-2-3-7-18(17)23-19(24-20)16-5-4-10-22-13-16/h2-13H,14H2,1H3
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n/an/a 1.59E+4n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313255
PNG
(US10167270, Example 31)
Show SMILES CN(Cc1ccc(cc1)-n1ccnc1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C24H20N6/c1-29(16-18-8-10-20(11-9-18)30-14-13-26-17-30)24-21-6-2-3-7-22(21)27-23(28-24)19-5-4-12-25-15-19/h2-15,17H,16H2,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313427
PNG
(US10167270, Example 118)
Show SMILES CN(C1CCCC1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C19H20N4/c1-23(15-8-2-3-9-15)19-16-10-4-5-11-17(16)21-18(22-19)14-7-6-12-20-13-14/h4-7,10-13,15H,2-3,8-9H2,1H3
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n/an/a 2.24E+4n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196529
PNG
(CHEMBL3979185 | US10167270, Compound 7e)
Show SMILES C1CC1Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C16H14N4/c1-2-6-14-13(5-1)16(18-12-7-8-12)20-15(19-14)11-4-3-9-17-10-11/h1-6,9-10,12H,7-8H2,(H,18,19,20)
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n/an/a 2.81E+4n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196625
PNG
(CHEMBL1405704 | US10167270, Compound 6k)
Show SMILES C(N1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C25H25N5/c1-2-7-19(8-3-1)18-30-15-12-21(13-16-30)27-25-22-10-4-5-11-23(22)28-24(29-25)20-9-6-14-26-17-20/h1-11,14,17,21H,12-13,15-16,18H2,(H,27,28,29)
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n/an/a 3.16E+4n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313436
PNG
(US10167270, Example 133)
Show SMILES CN(CCOc1ccccc1)c1nc(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C21H19N3O2/c1-24(13-15-25-16-8-3-2-4-9-16)21-17-10-5-6-11-18(17)22-20(23-21)19-12-7-14-26-19/h2-12,14H,13,15H2,1H3
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n/an/a 3.16E+4n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196532
PNG
(CHEMBL3912910 | US10167270, Compound 6j)
Show SMILES CC(C)N1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H25N5/c1-15(2)26-12-9-17(10-13-26)23-21-18-7-3-4-8-19(18)24-20(25-21)16-6-5-11-22-14-16/h3-8,11,14-15,17H,9-10,12-13H2,1-2H3,(H,23,24,25)
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n/an/a 3.32E+4n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313423
PNG
(US10167270, Example 111)
Show SMILES CN(CCOc1ccc(cc1)C#CCCCCCCC#Cc1ccc(OCCN(C)c2nc(nc3ccccc23)-c2cccnc2)cc1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C54H50N8O2/c1-61(53-47-21-11-13-23-49(47)57-51(59-53)43-19-15-33-55-39-43)35-37-63-45-29-25-41(26-30-45)17-9-7-5-3-4-6-8-10-18-42-27-31-46(32-28-42)64-38-36-62(2)54-48-22-12-14-24-50(48)58-52(60-54)44-20-16-34-56-40-44/h11-16,19-34,39-40H,3-8,35-38H2,1-2H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313244
PNG
(US10167270, Example 23)
Show SMILES C1CN(CCN1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C17H17N5/c1-2-6-15-14(5-1)17(22-10-8-18-9-11-22)21-16(20-15)13-4-3-7-19-12-13/h1-7,12,18H,8-11H2
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n/an/a 3.55E+4n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313226
PNG
(US10167270, Example 5)
Show SMILES CN(Cc1ccccn1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C20H17N5/c1-25(14-16-8-4-5-12-22-16)20-17-9-2-3-10-18(17)23-19(24-20)15-7-6-11-21-13-15/h2-13H,14H2,1H3
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n/an/a 3.55E+4n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313246
PNG
(US10167270, Example 25)
Show SMILES CC(C)Cc1noc(CN(C)c2nc(nc3ccccc23)-c2cccnc2)n1
Show InChI InChI=1S/C21H22N6O/c1-14(2)11-18-24-19(28-26-18)13-27(3)21-16-8-4-5-9-17(16)23-20(25-21)15-7-6-10-22-12-15/h4-10,12,14H,11,13H2,1-3H3
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n/an/a 3.55E+4n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196532
PNG
(CHEMBL3912910 | US10167270, Compound 6j)
Show SMILES CC(C)N1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C21H25N5/c1-15(2)26-12-9-17(10-13-26)23-21-18-7-3-4-8-19(18)24-20(25-21)16-6-5-11-22-14-16/h3-8,11,14-15,17H,9-10,12-13H2,1-2H3,(H,23,24,25)
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n/an/a 3.55E+4n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196625
PNG
(CHEMBL1405704 | US10167270, Compound 6k)
Show SMILES C(N1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1)c1ccccc1
Show InChI InChI=1S/C25H25N5/c1-2-7-19(8-3-1)18-30-15-12-21(13-16-30)27-25-22-10-4-5-11-23(22)28-24(29-25)20-9-6-14-26-17-20/h1-11,14,17,21H,12-13,15-16,18H2,(H,27,28,29)
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n/an/a 3.61E+4n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM50196529
PNG
(CHEMBL3979185 | US10167270, Compound 7e)
Show SMILES C1CC1Nc1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C16H14N4/c1-2-6-14-13(5-1)16(18-12-7-8-12)20-15(19-14)11-4-3-9-17-10-11/h1-6,9-10,12H,7-8H2,(H,18,19,20)
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n/an/a 3.98E+4n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313257
PNG
(US10167270, Example 36)
Show SMILES CN1CCN(CC1)c1ccc(CNc2nc(nc3ccccc23)-c2cccnc2)cc1
Show InChI InChI=1S/C25H26N6/c1-30-13-15-31(16-14-30)21-10-8-19(9-11-21)17-27-25-22-6-2-3-7-23(22)28-24(29-25)20-5-4-12-26-18-20/h2-12,18H,13-17H2,1H3,(H,27,28,29)
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n/an/a 3.98E+4n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313234
PNG
(US10167270, Example 13)
Show SMILES CN(Cc1ccc2CN(C)Cc2c1)c1nc(nc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C24H23N5/c1-28-15-19-10-9-17(12-20(19)16-28)14-29(2)24-21-7-3-4-8-22(21)26-23(27-24)18-6-5-11-25-13-18/h3-13H,14-16H2,1-2H3
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n/an/a 4.47E+4n/an/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313451
PNG
(US10167270, Example 158)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCCCCC(=O)Nc3ccc(cc3)-c3nc(NC4Cc5ccccc5C4)c4ccccc4n3)c3ccc(cc3oc2c1)=[N+](C)C
Show InChI InChI=1S/C54H51N7O5/c1-60(2)39-22-25-43-47(31-39)66-48-32-40(61(3)4)23-26-44(48)50(43)41-24-19-36(30-45(41)54(64)65)53(63)55-27-11-5-6-16-49(62)56-37-20-17-33(18-21-37)51-58-46-15-10-9-14-42(46)52(59-51)57-38-28-34-12-7-8-13-35(34)29-38/h7-10,12-15,17-26,30-32,38H,5-6,11,16,27-29H2,1-4H3,(H3-,55,56,57,58,59,62,63,64,65)/p+1
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Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313452
PNG
(US10167270, Example 159)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3C(O)=O)C(=O)NCCOCCOCC(=O)Nc3ccc(cc3)-c3nc(NC4Cc5ccccc5C4)c4ccccc4n3)c3ccc(cc3oc2c1)=[N+](C)C
Show InChI InChI=1S/C54H51N7O7/c1-60(2)39-18-21-43-47(30-39)68-48-31-40(61(3)4)19-22-44(48)50(43)41-20-15-36(29-45(41)54(64)65)53(63)55-23-24-66-25-26-67-32-49(62)56-37-16-13-33(14-17-37)51-58-46-12-8-7-11-42(46)52(59-51)57-38-27-34-9-5-6-10-35(34)28-38/h5-22,29-31,38H,23-28,32H2,1-4H3,(H3-,55,56,57,58,59,62,63,64,65)/p+1
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n/an/an/a 126n/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

More data for this
Ligand-Target Pair
Glucosylceramidase


(Homo sapiens (human))
BDBM313453
PNG
(US10167270, Example 160)
Show SMILES CN(C)c1ccc2c(-c3ccc(cc3OC=O)C(=O)NCCOCCOCCOCCOCCC(=O)NCCCCCC(=O)Nc3ccc(cc3)-c3nc(NC4Cc5ccccc5C4)c4ccccc4n3)c3ccc(cc3oc2c1)=[N+](C)C
Show InChI InChI=1S/C65H72N8O10/c1-72(2)50-22-25-54-58(41-50)83-59-42-51(73(3)4)23-26-55(59)62(54)53-24-19-47(40-57(53)82-43-74)65(77)67-29-31-79-33-35-81-37-36-80-34-32-78-30-27-60(75)66-28-11-5-6-16-61(76)68-48-20-17-44(18-21-48)63-70-56-15-10-9-14-52(56)64(71-63)69-49-38-45-12-7-8-13-46(45)39-49/h7-10,12-15,17-26,40-43,49H,5-6,11,16,27-39H2,1-4H3,(H3-,66,67,68,69,70,71,75,76,77)/p+1
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n/an/an/a 7.10n/an/an/an/an/a



Northwestern University

US Patent


Assay Description
The enzyme in GCase enzyme activity buffer (25 μL/well) was added to a 384-well black plate. The fluorescent probe 3 (25 nL/well, 50 nM final co...


US Patent US10167270 (2019)

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