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USPatent US10202340

Compile data set for download or QSAR
Found 49 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
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339792
PNG
(US10202340, Example 11)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OCC2CC2)cc1
Show InChI InChI=1S/C28H36N2O3/c31-27(17-21-15-23-5-1-2-6-24(23)16-21)29-26(18-30-13-3-4-14-30)28(32)22-9-11-25(12-10-22)33-19-20-7-8-20/h1-2,5-6,9-12,20-21,26,28,32H,3-4,7-8,13-19H2,(H,29,31)/t26-,28-/m1/s1
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n/an/a 0.840n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
)Inhibition of GlcCer production in MDCKII cells stably expressing human MDR1 (obtained from The Netherlands Cancer Institute).


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339793
PNG
(US10202340, Example 12)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OCC(F)(F)F)cc1
Show InChI InChI=1S/C26H31F3N2O3/c27-26(28,29)17-34-22-9-7-19(8-10-22)25(33)23(16-31-11-3-4-12-31)30-24(32)15-18-13-20-5-1-2-6-21(20)14-18/h1-2,5-10,18,23,25,33H,3-4,11-17H2,(H,30,32)/t23-,25-/m1/s1
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n/an/a 0.870n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer production in whole wild-type MDCKII cells.


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339792
PNG
(US10202340, Example 11)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OCC2CC2)cc1
Show InChI InChI=1S/C28H36N2O3/c31-27(17-21-15-23-5-1-2-6-24(23)16-21)29-26(18-30-13-3-4-14-30)28(32)22-9-11-25(12-10-22)33-19-20-7-8-20/h1-2,5-6,9-12,20-21,26,28,32H,3-4,7-8,13-19H2,(H,29,31)/t26-,28-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer production in whole wild-type MDCKII cells.


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339793
PNG
(US10202340, Example 12)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OCC(F)(F)F)cc1
Show InChI InChI=1S/C26H31F3N2O3/c27-26(28,29)17-34-22-9-7-19(8-10-22)25(33)23(16-31-11-3-4-12-31)30-24(32)15-18-13-20-5-1-2-6-21(20)14-18/h1-2,5-10,18,23,25,33H,3-4,11-17H2,(H,30,32)/t23-,25-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
)Inhibition of GlcCer production in MDCKII cells stably expressing human MDR1 (obtained from The Netherlands Cancer Institute).


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339783
PNG
(US10202340, Example 2)
Show SMILES COc1ccc(cc1)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1
Show InChI InChI=1S/C25H32N2O3/c1-30-22-10-8-19(9-11-22)25(29)23(17-27-12-4-5-13-27)26-24(28)16-18-14-20-6-2-3-7-21(20)15-18/h2-3,6-11,18,23,25,29H,4-5,12-17H2,1H3,(H,26,28)/t23-,25-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer production in whole wild-type MDCKII cells.


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339782
PNG
(US10202340, Example 1)
Show SMILES COc1ccc(cc1F)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1
Show InChI InChI=1S/C25H31FN2O3/c1-31-23-9-8-20(15-21(23)26)25(30)22(16-28-10-4-5-11-28)27-24(29)14-17-12-18-6-2-3-7-19(18)13-17/h2-3,6-9,15,17,22,25,30H,4-5,10-14,16H2,1H3,(H,27,29)/t22-,25-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer production in whole wild-type MDCKII cells.


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339788
PNG
(US10202340, Example 7)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H29F3N2O3/c26-25(27,28)33-21-9-7-18(8-10-21)24(32)22(16-30-11-3-4-12-30)29-23(31)15-17-13-19-5-1-2-6-20(19)14-17/h1-2,5-10,17,22,24,32H,3-4,11-16H2,(H,29,31)/t22-,24-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer production in whole wild-type MDCKII cells.


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339784
PNG
(US10202340, Example 3)
Show SMILES COc1cccc(c1)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1
Show InChI InChI=1S/C25H32N2O3/c1-30-22-10-6-9-21(16-22)25(29)23(17-27-11-4-5-12-27)26-24(28)15-18-13-19-7-2-3-8-20(19)14-18/h2-3,6-10,16,18,23,25,29H,4-5,11-15,17H2,1H3,(H,26,28)/t23-,25-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer production in whole wild-type MDCKII cells.


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339785
PNG
(US10202340, Example 4)
Show SMILES COc1ccccc1[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1
Show InChI InChI=1S/C25H32N2O3/c1-30-23-11-5-4-10-21(23)25(29)22(17-27-12-6-7-13-27)26-24(28)16-18-14-19-8-2-3-9-20(19)15-18/h2-5,8-11,18,22,25,29H,6-7,12-17H2,1H3,(H,26,28)/t22-,25-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer production in whole wild-type MDCKII cells.


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339782
PNG
(US10202340, Example 1)
Show SMILES COc1ccc(cc1F)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1
Show InChI InChI=1S/C25H31FN2O3/c1-31-23-9-8-20(15-21(23)26)25(30)22(16-28-10-4-5-11-28)27-24(29)14-17-12-18-6-2-3-7-19(18)13-17/h2-3,6-9,15,17,22,25,30H,4-5,10-14,16H2,1H3,(H,27,29)/t22-,25-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
)Inhibition of GlcCer production in MDCKII cells stably expressing human MDR1 (obtained from The Netherlands Cancer Institute).


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339790
PNG
(US10202340, Example 9)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C25H30F2N2O3/c26-25(27)32-21-9-7-18(8-10-21)24(31)22(16-29-11-3-4-12-29)28-23(30)15-17-13-19-5-1-2-6-20(19)14-17/h1-2,5-10,17,22,24-25,31H,3-4,11-16H2,(H,28,30)/t22-,24-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer production in whole wild-type MDCKII cells.


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339794
PNG
(US10202340, Example 13)
Show SMILES COc1ccc(cc1)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1CCCc2ccccc12
Show InChI InChI=1S/C26H34N2O3/c1-31-22-13-11-20(12-14-22)26(30)24(18-28-15-4-5-16-28)27-25(29)17-21-9-6-8-19-7-2-3-10-23(19)21/h2-3,7,10-14,21,24,26,30H,4-6,8-9,15-18H2,1H3,(H,27,29)/t21?,24-,26-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer production in whole wild-type MDCKII cells.


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339787
PNG
(US10202340, Example 6)
Show SMILES COc1ccc(cc1)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1CCc2ccccc2C1
Show InChI InChI=1S/C26H34N2O3/c1-31-23-12-10-21(11-13-23)26(30)24(18-28-14-4-5-15-28)27-25(29)17-19-8-9-20-6-2-3-7-22(20)16-19/h2-3,6-7,10-13,19,24,26,30H,4-5,8-9,14-18H2,1H3,(H,27,29)/t19?,24-,26-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer production in whole wild-type MDCKII cells.


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339788
PNG
(US10202340, Example 7)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H29F3N2O3/c26-25(27,28)33-21-9-7-18(8-10-21)24(32)22(16-30-11-3-4-12-30)29-23(31)15-17-13-19-5-1-2-6-20(19)14-17/h1-2,5-10,17,22,24,32H,3-4,11-16H2,(H,29,31)/t22-,24-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
)Inhibition of GlcCer production in MDCKII cells stably expressing human MDR1 (obtained from The Netherlands Cancer Institute).


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339781
PNG
(US10202340, Example control)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C26H32N2O4/c29-25(15-18-13-19-5-1-2-6-20(19)14-18)27-22(17-28-9-3-4-10-28)26(30)21-7-8-23-24(16-21)32-12-11-31-23/h1-2,5-8,16,18,22,26,30H,3-4,9-15,17H2,(H,27,29)/t22-,26-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer production in whole wild-type MDCKII cells.


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339783
PNG
(US10202340, Example 2)
Show SMILES COc1ccc(cc1)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1
Show InChI InChI=1S/C25H32N2O3/c1-30-22-10-8-19(9-11-22)25(29)23(17-27-12-4-5-13-27)26-24(28)16-18-14-20-6-2-3-7-21(20)15-18/h2-3,6-11,18,23,25,29H,4-5,12-17H2,1H3,(H,26,28)/t23-,25-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
)Inhibition of GlcCer production in MDCKII cells stably expressing human MDR1 (obtained from The Netherlands Cancer Institute).


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339790
PNG
(US10202340, Example 9)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C25H30F2N2O3/c26-25(27)32-21-9-7-18(8-10-21)24(31)22(16-29-11-3-4-12-29)28-23(30)15-17-13-19-5-1-2-6-20(19)14-17/h1-2,5-10,17,22,24-25,31H,3-4,11-16H2,(H,28,30)/t22-,24-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
)Inhibition of GlcCer production in MDCKII cells stably expressing human MDR1 (obtained from The Netherlands Cancer Institute).


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339796
PNG
(US10202340, Example 16)
Show SMILES O[C@@H]([C@@H](CN1CC[C@@H](F)C1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H28F4N2O3/c26-20-9-10-31(14-20)15-22(24(33)17-5-7-21(8-6-17)34-25(27,28)29)30-23(32)13-16-11-18-3-1-2-4-19(18)12-16/h1-8,16,20,22,24,33H,9-15H2,(H,30,32)/t20-,22-,24-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer production in whole wild-type MDCKII cells.


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339797
PNG
(US10202340, Example 17)
Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H27F3N2O3/c25-24(26,27)32-20-8-6-17(7-9-20)23(31)21(15-29-10-3-11-29)28-22(30)14-16-12-18-4-1-2-5-19(18)13-16/h1-2,4-9,16,21,23,31H,3,10-15H2,(H,28,30)/t21-,23-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer production in whole wild-type MDCKII cells.


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339781
PNG
(US10202340, Example control)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C26H32N2O4/c29-25(15-18-13-19-5-1-2-6-20(19)14-18)27-22(17-28-9-3-4-10-28)26(30)21-7-8-23-24(16-21)32-12-11-31-23/h1-2,5-8,16,18,22,26,30H,3-4,9-15,17H2,(H,27,29)/t22-,26-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
)Inhibition of GlcCer production in MDCKII cells stably expressing human MDR1 (obtained from The Netherlands Cancer Institute).


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339782
PNG
(US10202340, Example 1)
Show SMILES COc1ccc(cc1F)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1
Show InChI InChI=1S/C25H31FN2O3/c1-31-23-9-8-20(15-21(23)26)25(30)22(16-28-10-4-5-11-28)27-24(29)14-17-12-18-6-2-3-7-19(18)13-17/h2-3,6-9,15,17,22,25,30H,4-5,10-14,16H2,1H3,(H,27,29)/t22-,25-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer synthesis in broken wild-type MDCK cell preparations


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339781
PNG
(US10202340, Example control)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C26H32N2O4/c29-25(15-18-13-19-5-1-2-6-20(19)14-18)27-22(17-28-9-3-4-10-28)26(30)21-7-8-23-24(16-21)32-12-11-31-23/h1-2,5-8,16,18,22,26,30H,3-4,9-15,17H2,(H,27,29)/t22-,26-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer synthesis in broken wild-type MDCK cell preparations


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339784
PNG
(US10202340, Example 3)
Show SMILES COc1cccc(c1)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1
Show InChI InChI=1S/C25H32N2O3/c1-30-22-10-6-9-21(16-22)25(29)23(17-27-11-4-5-12-27)26-24(28)15-18-13-19-7-2-3-8-20(19)14-18/h2-3,6-10,16,18,23,25,29H,4-5,11-15,17H2,1H3,(H,26,28)/t23-,25-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
)Inhibition of GlcCer production in MDCKII cells stably expressing human MDR1 (obtained from The Netherlands Cancer Institute).


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339789
PNG
(US10202340, Example 8)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H29F3N2O2/c26-25(27,28)21-9-7-18(8-10-21)24(32)22(16-30-11-3-4-12-30)29-23(31)15-17-13-19-5-1-2-6-20(19)14-17/h1-2,5-10,17,22,24,32H,3-4,11-16H2,(H,29,31)/t22-,24-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer production in whole wild-type MDCKII cells.


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339791
PNG
(US10202340, Example 10)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(F)cc1
Show InChI InChI=1S/C24H29FN2O2/c25-21-9-7-18(8-10-21)24(29)22(16-27-11-3-4-12-27)26-23(28)15-17-13-19-5-1-2-6-20(19)14-17/h1-2,5-10,17,22,24,29H,3-4,11-16H2,(H,26,28)/t22-,24-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer production in whole wild-type MDCKII cells.


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339797
PNG
(US10202340, Example 17)
Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H27F3N2O3/c25-24(26,27)32-20-8-6-17(7-9-20)23(31)21(15-29-10-3-11-29)28-22(30)14-16-12-18-4-1-2-5-19(18)13-16/h1-2,4-9,16,21,23,31H,3,10-15H2,(H,28,30)/t21-,23-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
)Inhibition of GlcCer production in MDCKII cells stably expressing human MDR1 (obtained from The Netherlands Cancer Institute).


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339785
PNG
(US10202340, Example 4)
Show SMILES COc1ccccc1[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1
Show InChI InChI=1S/C25H32N2O3/c1-30-23-11-5-4-10-21(23)25(29)22(17-27-12-6-7-13-27)26-24(28)16-18-14-19-8-2-3-9-20(19)15-18/h2-5,8-11,18,22,25,29H,6-7,12-17H2,1H3,(H,26,28)/t22-,25-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer synthesis in broken wild-type MDCK cell preparations


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339794
PNG
(US10202340, Example 13)
Show SMILES COc1ccc(cc1)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1CCCc2ccccc12
Show InChI InChI=1S/C26H34N2O3/c1-31-22-13-11-20(12-14-22)26(30)24(18-28-15-4-5-16-28)27-25(29)17-21-9-6-8-19-7-2-3-10-23(19)21/h2-3,7,10-14,21,24,26,30H,4-6,8-9,15-18H2,1H3,(H,27,29)/t21?,24-,26-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
)Inhibition of GlcCer production in MDCKII cells stably expressing human MDR1 (obtained from The Netherlands Cancer Institute).


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339787
PNG
(US10202340, Example 6)
Show SMILES COc1ccc(cc1)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1CCc2ccccc2C1
Show InChI InChI=1S/C26H34N2O3/c1-31-23-12-10-21(11-13-23)26(30)24(18-28-14-4-5-15-28)27-25(29)17-19-8-9-20-6-2-3-7-22(20)16-19/h2-3,6-7,10-13,19,24,26,30H,4-5,8-9,14-18H2,1H3,(H,27,29)/t19?,24-,26-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
)Inhibition of GlcCer production in MDCKII cells stably expressing human MDR1 (obtained from The Netherlands Cancer Institute).


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339792
PNG
(US10202340, Example 11)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OCC2CC2)cc1
Show InChI InChI=1S/C28H36N2O3/c31-27(17-21-15-23-5-1-2-6-24(23)16-21)29-26(18-30-13-3-4-14-30)28(32)22-9-11-25(12-10-22)33-19-20-7-8-20/h1-2,5-6,9-12,20-21,26,28,32H,3-4,7-8,13-19H2,(H,29,31)/t26-,28-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer synthesis in broken wild-type MDCK cell preparations


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339796
PNG
(US10202340, Example 16)
Show SMILES O[C@@H]([C@@H](CN1CC[C@@H](F)C1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H28F4N2O3/c26-20-9-10-31(14-20)15-22(24(33)17-5-7-21(8-6-17)34-25(27,28)29)30-23(32)13-16-11-18-3-1-2-4-19(18)12-16/h1-8,16,20,22,24,33H,9-15H2,(H,30,32)/t20-,22-,24-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
)Inhibition of GlcCer production in MDCKII cells stably expressing human MDR1 (obtained from The Netherlands Cancer Institute).


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339783
PNG
(US10202340, Example 2)
Show SMILES COc1ccc(cc1)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1
Show InChI InChI=1S/C25H32N2O3/c1-30-22-10-8-19(9-11-22)25(29)23(17-27-12-4-5-13-27)26-24(28)16-18-14-20-6-2-3-7-21(20)15-18/h2-3,6-11,18,23,25,29H,4-5,12-17H2,1H3,(H,26,28)/t23-,25-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer synthesis in broken wild-type MDCK cell preparations


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339795
PNG
(US10202340, Example 14)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C25H29F3N2O3/c26-25(27,28)33-21-9-5-8-20(15-21)24(32)22(16-30-10-3-4-11-30)29-23(31)14-17-12-18-6-1-2-7-19(18)13-17/h1-2,5-9,15,17,22,24,32H,3-4,10-14,16H2,(H,29,31)/t22-,24-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer production in whole wild-type MDCKII cells.


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339784
PNG
(US10202340, Example 3)
Show SMILES COc1cccc(c1)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1
Show InChI InChI=1S/C25H32N2O3/c1-30-22-10-6-9-21(16-22)25(29)23(17-27-11-4-5-12-27)26-24(28)15-18-13-19-7-2-3-8-20(19)14-18/h2-3,6-10,16,18,23,25,29H,4-5,11-15,17H2,1H3,(H,26,28)/t23-,25-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer synthesis in broken wild-type MDCK cell preparations


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339789
PNG
(US10202340, Example 8)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H29F3N2O2/c26-25(27,28)21-9-7-18(8-10-21)24(32)22(16-30-11-3-4-12-30)29-23(31)15-17-13-19-5-1-2-6-20(19)14-17/h1-2,5-10,17,22,24,32H,3-4,11-16H2,(H,29,31)/t22-,24-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
)Inhibition of GlcCer production in MDCKII cells stably expressing human MDR1 (obtained from The Netherlands Cancer Institute).


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339785
PNG
(US10202340, Example 4)
Show SMILES COc1ccccc1[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1
Show InChI InChI=1S/C25H32N2O3/c1-30-23-11-5-4-10-21(23)25(29)22(17-27-12-6-7-13-27)26-24(28)16-18-14-19-8-2-3-9-20(19)15-18/h2-5,8-11,18,22,25,29H,6-7,12-17H2,1H3,(H,26,28)/t22-,25-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
)Inhibition of GlcCer production in MDCKII cells stably expressing human MDR1 (obtained from The Netherlands Cancer Institute).


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339793
PNG
(US10202340, Example 12)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OCC(F)(F)F)cc1
Show InChI InChI=1S/C26H31F3N2O3/c27-26(28,29)17-34-22-9-7-19(8-10-22)25(33)23(16-31-11-3-4-12-31)30-24(32)15-18-13-20-5-1-2-6-21(20)14-18/h1-2,5-10,18,23,25,33H,3-4,11-17H2,(H,30,32)/t23-,25-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer synthesis in broken wild-type MDCK cell preparations


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339786
PNG
(US10202340, Example 5)
Show SMILES COc1cc(ccc1F)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1
Show InChI InChI=1S/C25H31FN2O3/c1-31-23-15-20(8-9-21(23)26)25(30)22(16-28-10-4-5-11-28)27-24(29)14-17-12-18-6-2-3-7-19(18)13-17/h2-3,6-9,15,17,22,25,30H,4-5,10-14,16H2,1H3,(H,27,29)/t22-,25-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer production in whole wild-type MDCKII cells.


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339790
PNG
(US10202340, Example 9)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C25H30F2N2O3/c26-25(27)32-21-9-7-18(8-10-21)24(31)22(16-29-11-3-4-12-29)28-23(30)15-17-13-19-5-1-2-6-20(19)14-17/h1-2,5-10,17,22,24-25,31H,3-4,11-16H2,(H,28,30)/t22-,24-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer synthesis in broken wild-type MDCK cell preparations


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339791
PNG
(US10202340, Example 10)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(F)cc1
Show InChI InChI=1S/C24H29FN2O2/c25-21-9-7-18(8-10-21)24(29)22(16-27-11-3-4-12-27)26-23(28)15-17-13-19-5-1-2-6-20(19)14-17/h1-2,5-10,17,22,24,29H,3-4,11-16H2,(H,26,28)/t22-,24-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
)Inhibition of GlcCer production in MDCKII cells stably expressing human MDR1 (obtained from The Netherlands Cancer Institute).


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339788
PNG
(US10202340, Example 7)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H29F3N2O3/c26-25(27,28)33-21-9-7-18(8-10-21)24(32)22(16-30-11-3-4-12-30)29-23(31)15-17-13-19-5-1-2-6-20(19)14-17/h1-2,5-10,17,22,24,32H,3-4,11-16H2,(H,29,31)/t22-,24-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer synthesis in broken wild-type MDCK cell preparations


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339787
PNG
(US10202340, Example 6)
Show SMILES COc1ccc(cc1)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1CCc2ccccc2C1
Show InChI InChI=1S/C26H34N2O3/c1-31-23-12-10-21(11-13-23)26(30)24(18-28-14-4-5-15-28)27-25(29)17-19-8-9-20-6-2-3-7-22(20)16-19/h2-3,6-7,10-13,19,24,26,30H,4-5,8-9,14-18H2,1H3,(H,27,29)/t19?,24-,26-/m1/s1
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n/an/a 269n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer synthesis in broken wild-type MDCK cell preparations


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339794
PNG
(US10202340, Example 13)
Show SMILES COc1ccc(cc1)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1CCCc2ccccc12
Show InChI InChI=1S/C26H34N2O3/c1-31-22-13-11-20(12-14-22)26(30)24(18-28-15-4-5-16-28)27-25(29)17-21-9-6-8-19-7-2-3-10-23(19)21/h2-3,7,10-14,21,24,26,30H,4-6,8-9,15-18H2,1H3,(H,27,29)/t21?,24-,26-/m1/s1
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n/an/a 270n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer synthesis in broken wild-type MDCK cell preparations


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339791
PNG
(US10202340, Example 10)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(F)cc1
Show InChI InChI=1S/C24H29FN2O2/c25-21-9-7-18(8-10-21)24(29)22(16-27-11-3-4-12-27)26-23(28)15-17-13-19-5-1-2-6-20(19)14-17/h1-2,5-10,17,22,24,29H,3-4,11-16H2,(H,26,28)/t22-,24-/m1/s1
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n/an/a 299n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer synthesis in broken wild-type MDCK cell preparations


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339789
PNG
(US10202340, Example 8)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H29F3N2O2/c26-25(27,28)21-9-7-18(8-10-21)24(32)22(16-30-11-3-4-12-30)29-23(31)15-17-13-19-5-1-2-6-20(19)14-17/h1-2,5-10,17,22,24,32H,3-4,11-16H2,(H,29,31)/t22-,24-/m1/s1
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n/an/a>300n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer synthesis in broken wild-type MDCK cell preparations


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339796
PNG
(US10202340, Example 16)
Show SMILES O[C@@H]([C@@H](CN1CC[C@@H](F)C1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C25H28F4N2O3/c26-20-9-10-31(14-20)15-22(24(33)17-5-7-21(8-6-17)34-25(27,28)29)30-23(32)13-16-11-18-3-1-2-4-19(18)12-16/h1-8,16,20,22,24,33H,9-15H2,(H,30,32)/t20-,22-,24-/m1/s1
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n/an/a>300n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer synthesis in broken wild-type MDCK cell preparations


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339786
PNG
(US10202340, Example 5)
Show SMILES COc1cc(ccc1F)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1
Show InChI InChI=1S/C25H31FN2O3/c1-31-23-15-20(8-9-21(23)26)25(30)22(16-28-10-4-5-11-28)27-24(29)14-17-12-18-6-2-3-7-19(18)13-17/h2-3,6-9,15,17,22,25,30H,4-5,10-14,16H2,1H3,(H,27,29)/t22-,25-/m1/s1
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THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer synthesis in broken wild-type MDCK cell preparations


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339797
PNG
(US10202340, Example 17)
Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)CC1Cc2ccccc2C1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H27F3N2O3/c25-24(26,27)32-20-8-6-17(7-9-20)23(31)21(15-29-10-3-11-29)28-22(30)14-16-12-18-4-1-2-5-19(18)13-16/h1-2,4-9,16,21,23,31H,3,10-15H2,(H,28,30)/t21-,23-/m1/s1
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n/an/a>300n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
Inhibition of GlcCer synthesis in broken wild-type MDCK cell preparations


US Patent US10202340 (2019)

More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM339786
PNG
(US10202340, Example 5)
Show SMILES COc1cc(ccc1F)[C@@H](O)[C@@H](CN1CCCC1)NC(=O)CC1Cc2ccccc2C1
Show InChI InChI=1S/C25H31FN2O3/c1-31-23-15-20(8-9-21(23)26)25(30)22(16-28-10-4-5-11-28)27-24(29)14-17-12-18-6-2-3-7-19(18)13-17/h2-3,6-9,15,17,22,25,30H,4-5,10-14,16H2,1H3,(H,27,29)/t22-,25-/m1/s1
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n/an/a 2.61E+3n/an/an/an/an/an/a



THE REGENTS OF THE UNIVERSITY OF MICHIGAN

US Patent


Assay Description
)Inhibition of GlcCer production in MDCKII cells stably expressing human MDR1 (obtained from The Netherlands Cancer Institute).


US Patent US10202340 (2019)

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