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Compile Data Set for Download or QSAR

Found 308 hits of affinity data for UniProtKB/TrEMBL: Q16739   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50356075
PNG
(CHEMBL1911818)
Show SMILES CN1CCN(CC1)C(=O)[C@@H](COCc1ccc2OCCOc2c1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C30H30ClF3N4O6/c1-37-9-11-38(12-10-37)29(40)23(18-41-17-19-4-6-25-26(15-19)43-14-13-42-25)36-27(39)21-3-2-8-35-28(21)44-24-7-5-20(16-22(24)31)30(32,33)34/h2-8,15-16,23H,9-14,17-18H2,1H3,(H,36,39)/t23-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS activity in human A549 cells assessed as amount of GM1 on the cell membrane after 72 hrs by FL-CTB-based fluorescent microscopy


Bioorg Med Chem Lett 21: 6773-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.037
BindingDB Entry DOI: 10.7270/Q2833SG2
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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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)


BindingDB Entry DOI: 10.7270/Q21V5H30
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)


BindingDB Entry DOI: 10.7270/Q21V5H30
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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n/an/a 1n/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)


BindingDB Entry DOI: 10.7270/Q21V5H30
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50356076
PNG
(CHEMBL1911817)
Show SMILES CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C28H28ClF3N4O4/c1-35-12-14-36(15-13-35)27(38)23(18-39-17-19-6-3-2-4-7-19)34-25(37)21-8-5-11-33-26(21)40-24-10-9-20(16-22(24)29)28(30,31)32/h2-11,16,23H,12-15,17-18H2,1H3,(H,34,37)/t23-/m1/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS assessed as amount of UDP-glucose consumed during enzyme-catalyzed reaction


Bioorg Med Chem Lett 21: 6773-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.037
BindingDB Entry DOI: 10.7270/Q2833SG2
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50356075
PNG
(CHEMBL1911818)
Show SMILES CN1CCN(CC1)C(=O)[C@@H](COCc1ccc2OCCOc2c1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C30H30ClF3N4O6/c1-37-9-11-38(12-10-37)29(40)23(18-41-17-19-4-6-25-26(15-19)43-14-13-42-25)36-27(39)21-3-2-8-35-28(21)44-24-7-5-20(16-22(24)31)30(32,33)34/h2-8,15-16,23H,9-14,17-18H2,1H3,(H,36,39)/t23-/m1/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS assessed as amount of UDP-glucose consumed during enzyme-catalyzed reaction


Bioorg Med Chem Lett 21: 6773-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.037
BindingDB Entry DOI: 10.7270/Q2833SG2
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50394807
PNG
(CHEMBL2163825)
Show SMILES NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H27Cl4N3O2/c27-15-2-1-14(21(29)10-15)9-23(24(34)33-18-4-5-19(33)13-17(31)12-18)32-25(35)26(7-8-26)20-6-3-16(28)11-22(20)30/h1-3,6,10-11,17-19,23H,4-5,7-9,12-13,31H2,(H,32,35)/t17?,18-,19+,23-/m0/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay


J Med Chem 55: 4322-35 (2012)


Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50356090
PNG
(CHEMBL1911678)
Show SMILES CCCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C24H38N2O4/c1-2-3-4-5-6-7-10-23(27)25-20(18-26-13-8-9-14-26)24(28)19-11-12-21-22(17-19)30-16-15-29-21/h11-12,17,20,24,28H,2-10,13-16,18H2,1H3,(H,25,27)/t20-,24+/m0/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay


J Med Chem 55: 4322-35 (2012)


Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50356091
PNG
(CHEMBL1911679)
Show SMILES CCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/t19-,23+/m0/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay


J Med Chem 55: 4322-35 (2012)


Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50394820
PNG
(CHEMBL2163829)
Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H28Cl2N4O2/c1-31-10-12-32(13-11-31)24(33)23(14-17-16-29-22-5-3-2-4-19(17)22)30-25(34)26(8-9-26)20-7-6-18(27)15-21(20)28/h2-7,15-16,23,29H,8-14H2,1H3,(H,30,34)/t23-/m0/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis


J Med Chem 55: 4322-35 (2012)


Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50394812
PNG
(CHEMBL2163838)
Show SMILES CN(C)CCN(C)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H27Cl4N3O2/c1-30(2)10-11-31(3)22(32)21(12-15-4-5-16(25)13-19(15)27)29-23(33)24(8-9-24)18-7-6-17(26)14-20(18)28/h4-7,13-14,21H,8-12H2,1-3H3,(H,29,33)/t21-/m0/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis


J Med Chem 55: 4322-35 (2012)


Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50394804
PNG
(CHEMBL2163828)
Show SMILES NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H29BrF3N3O3/c28-18-5-1-16(2-6-18)13-23(24(35)34-20-7-8-21(34)15-19(32)14-20)33-25(36)26(11-12-26)17-3-9-22(10-4-17)37-27(29,30)31/h1-6,9-10,19-21,23H,7-8,11-15,32H2,(H,33,36)/t19?,20-,21+,23-/m0/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis


J Med Chem 55: 4322-35 (2012)


Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50356076
PNG
(CHEMBL1911817)
Show SMILES CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C28H28ClF3N4O4/c1-35-12-14-36(15-13-35)27(38)23(18-39-17-19-6-3-2-4-7-19)34-25(37)21-8-5-11-33-26(21)40-24-10-9-20(16-22(24)29)28(30,31)32/h2-11,16,23H,12-15,17-18H2,1H3,(H,34,37)/t23-/m1/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS activity in human A549 cells assessed as amount of GM1 on the cell membrane after 72 hrs by FL-CTB-based fluorescent microscopy


Bioorg Med Chem Lett 21: 6773-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.037
BindingDB Entry DOI: 10.7270/Q2833SG2
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50356091
PNG
(CHEMBL1911679)
Show SMILES CCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/t19-,23+/m0/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS activity in human A549 cells assessed as amount of GM1 on the cell membrane after 72 hrs by FL-CTB-based fluorescent microscopy


Bioorg Med Chem Lett 21: 6773-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.037
BindingDB Entry DOI: 10.7270/Q2833SG2
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50356090
PNG
(CHEMBL1911678)
Show SMILES CCCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@H](O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C24H38N2O4/c1-2-3-4-5-6-7-10-23(27)25-20(18-26-13-8-9-14-26)24(28)19-11-12-21-22(17-19)30-16-15-29-21/h11-12,17,20,24,28H,2-10,13-16,18H2,1H3,(H,25,27)/t20-,24+/m0/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS activity in human A549 cells assessed as amount of GM1 on the cell membrane after 72 hrs by FL-CTB-based fluorescent microscopy


Bioorg Med Chem Lett 21: 6773-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.037
BindingDB Entry DOI: 10.7270/Q2833SG2
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50356078
PNG
(CHEMBL1911815)
Show SMILES CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H28Cl2N4O4/c1-32-12-14-33(15-13-32)27(35)23(18-36-17-19-6-3-2-4-7-19)31-25(34)21-8-5-11-30-26(21)37-24-10-9-20(28)16-22(24)29/h2-11,16,23H,12-15,17-18H2,1H3,(H,31,34)/t23-/m1/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS assessed as amount of UDP-glucose consumed during enzyme-catalyzed reaction


Bioorg Med Chem Lett 21: 6773-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.037
BindingDB Entry DOI: 10.7270/Q2833SG2
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50356077
PNG
(CHEMBL1911816)
Show SMILES CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(Cl)cc1C
Show InChI InChI=1S/C28H31ClN4O4/c1-20-17-22(29)10-11-25(20)37-27-23(9-6-12-30-27)26(34)31-24(19-36-18-21-7-4-3-5-8-21)28(35)33-15-13-32(2)14-16-33/h3-12,17,24H,13-16,18-19H2,1-2H3,(H,31,34)/t24-/m1/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS assessed as amount of UDP-glucose consumed during enzyme-catalyzed reaction


Bioorg Med Chem Lett 21: 6773-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.037
BindingDB Entry DOI: 10.7270/Q2833SG2
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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US Patent
n/an/a 2.5n/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)


BindingDB Entry DOI: 10.7270/Q21V5H30
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50028257
PNG
(CHEMBL3354637)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C24H32FNO5/c25-20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27/h1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50028254
PNG
(CHEMBL3354634)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C25H32F3NO5/c26-25(27,28)20-13-18(17-7-3-1-4-8-17)9-10-19(20)16-34-12-6-2-5-11-29-14-22(31)24(33)23(32)21(29)15-30/h1,3-4,7-10,13,21-24,30-33H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50028204
PNG
(CHEMBL3354022)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccccc2c1
Show InChI InChI=1S/C22H31NO5/c24-14-19-21(26)22(27)20(25)13-23(19)10-4-1-5-11-28-15-16-8-9-17-6-2-3-7-18(17)12-16/h2-3,6-9,12,19-22,24-27H,1,4-5,10-11,13-15H2/t19-,20+,21-,22-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50028206
PNG
(CHEMBL3354024)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccc3cccc4ccc1c2c34
Show InChI InChI=1S/C28H33NO5/c30-16-23-27(32)28(33)24(31)15-29(23)13-2-1-3-14-34-17-21-10-9-20-8-7-18-5-4-6-19-11-12-22(21)26(20)25(18)19/h4-12,23-24,27-28,30-33H,1-3,13-17H2/t23-,24+,27-,28-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50028215
PNG
(CHEMBL3354035)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccccc2c1
Show InChI InChI=1S/C22H31NO5/c24-14-19-21(26)22(27)20(25)13-23(19)10-4-1-5-11-28-15-16-8-9-17-6-2-3-7-18(17)12-16/h2-3,6-9,12,19-22,24-27H,1,4-5,10-11,13-15H2/t19-,20-,21+,22+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50028217
PNG
(CHEMBL3354037)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc2ccc3cccc4ccc1c2c34
Show InChI InChI=1S/C28H33NO5/c30-16-23-27(32)28(33)24(31)15-29(23)13-2-1-3-14-34-17-21-10-9-20-8-7-18-5-4-6-19-11-12-22(21)26(20)25(18)19/h4-12,23-24,27-28,30-33H,1-3,13-17H2/t23-,24-,27+,28+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50028255
PNG
(CHEMBL3354635)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(c1)C(F)(F)F
Show InChI InChI=1S/C25H32F3NO5/c26-25(27,28)20-13-17(9-10-19(20)18-7-3-1-4-8-18)16-34-12-6-2-5-11-29-14-22(31)24(33)23(32)21(29)15-30/h1,3-4,7-10,13,21-24,30-33H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50356079
PNG
(CHEMBL1911814)
Show SMILES CN1CCN(CC1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cc(F)cnc1Oc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C27H27Cl2FN4O4/c1-33-9-11-34(12-10-33)27(36)23(17-37-16-18-5-3-2-4-6-18)32-25(35)21-14-20(30)15-31-26(21)38-24-8-7-19(28)13-22(24)29/h2-8,13-15,23H,9-12,16-17H2,1H3,(H,32,35)/t23-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS assessed as amount of UDP-glucose consumed during enzyme-catalyzed reaction


Bioorg Med Chem Lett 21: 6773-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.037
BindingDB Entry DOI: 10.7270/Q2833SG2
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50394809
PNG
(CHEMBL2163823)
Show SMILES NC1CCN(CC1)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H26BrCl2N3O2/c25-16-3-1-15(2-4-16)13-21(22(31)30-11-7-18(28)8-12-30)29-23(32)24(9-10-24)19-6-5-17(26)14-20(19)27/h1-6,14,18,21H,7-13,28H2,(H,29,32)/t21-/m0/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis


J Med Chem 55: 4322-35 (2012)


Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50394806
PNG
(CHEMBL2163826)
Show SMILES NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H28BrCl2N3O2/c27-16-3-1-15(2-4-16)11-23(24(33)32-19-6-7-20(32)14-18(30)13-19)31-25(34)26(9-10-26)21-8-5-17(28)12-22(21)29/h1-5,8,12,18-20,23H,6-7,9-11,13-14,30H2,(H,31,34)/t18?,19-,20+,23-/m0/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis


J Med Chem 55: 4322-35 (2012)


Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50394805
PNG
(CHEMBL2163827)
Show SMILES NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H28Cl2F3N3O3/c28-17-4-1-15(22(29)12-17)11-23(24(36)35-19-5-6-20(35)14-18(33)13-19)34-25(37)26(9-10-26)16-2-7-21(8-3-16)38-27(30,31)32/h1-4,7-8,12,18-20,23H,5-6,9-11,13-14,33H2,(H,34,37)/t18?,19-,20+,23-/m0/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis


J Med Chem 55: 4322-35 (2012)


Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF
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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US Patent
n/an/a 3n/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)


BindingDB Entry DOI: 10.7270/Q21V5H30
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50394816
PNG
(CHEMBL2163833)
Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H26Cl3N3O2/c1-29-10-12-30(13-11-29)22(31)21(14-16-2-4-17(25)5-3-16)28-23(32)24(8-9-24)19-7-6-18(26)15-20(19)27/h2-7,15,21H,8-14H2,1H3,(H,28,32)/t21-/m0/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay


J Med Chem 55: 4322-35 (2012)


Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF
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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n/an/a 3n/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)


BindingDB Entry DOI: 10.7270/Q21V5H30
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50394807
PNG
(CHEMBL2163825)
Show SMILES NC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H27Cl4N3O2/c27-15-2-1-14(21(29)10-15)9-23(24(34)33-18-4-5-19(33)13-17(31)12-18)32-25(35)26(7-8-26)20-6-3-16(28)11-22(20)30/h1-3,6,10-11,17-19,23H,4-5,7-9,12-13,31H2,(H,32,35)/t17?,18-,19+,23-/m0/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis


J Med Chem 55: 4322-35 (2012)


Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50394817
PNG
(CHEMBL2163832)
Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H25Cl4N3O2/c1-30-8-10-31(11-9-30)22(32)21(12-15-2-3-16(25)13-19(15)27)29-23(33)24(6-7-24)18-5-4-17(26)14-20(18)28/h2-5,13-14,21H,6-12H2,1H3,(H,29,33)/t21-/m0/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay


J Med Chem 55: 4322-35 (2012)


Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50356094
PNG
(CHEMBL1911829)
Show SMILES FC(F)(F)c1ccc(Oc2ncccc2C(=O)N[C@H](COCc2ccccc2)C(=O)N[C@@H]2CN3CCC2CC3)c(Cl)c1
Show InChI InChI=1S/C30H30ClF3N4O4/c31-23-15-21(30(32,33)34)8-9-26(23)42-29-22(7-4-12-35-29)27(39)37-25(18-41-17-19-5-2-1-3-6-19)28(40)36-24-16-38-13-10-20(24)11-14-38/h1-9,12,15,20,24-25H,10-11,13-14,16-18H2,(H,36,40)(H,37,39)/t24-,25-/m1/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS activity in human A549 cells assessed as amount of GM1 on the cell membrane after 72 hrs by FL-CTB-based fluorescent microscopy


Bioorg Med Chem Lett 21: 6773-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.037
BindingDB Entry DOI: 10.7270/Q2833SG2
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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n/an/a 4n/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)


BindingDB Entry DOI: 10.7270/Q21V5H30
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50394811
PNG
(CHEMBL2163839)
Show SMILES CN(C)CCN(C)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H28BrCl2N3O2/c1-29(2)12-13-30(3)22(31)21(14-16-4-6-17(25)7-5-16)28-23(32)24(10-11-24)19-9-8-18(26)15-20(19)27/h4-9,15,21H,10-14H2,1-3H3,(H,28,32)/t21-/m0/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis


J Med Chem 55: 4322-35 (2012)


Article DOI: 10.1021/jm300122u
BindingDB Entry DOI: 10.7270/Q2MG7QMF
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50356066
PNG
(CHEMBL1911827)
Show SMILES CN[C@@H]1CCN(C1)C(=O)[C@@H](COCc1ccccc1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C28H28ClF3N4O4/c1-33-20-11-13-36(15-20)27(38)23(17-39-16-18-6-3-2-4-7-18)35-25(37)21-8-5-12-34-26(21)40-24-10-9-19(14-22(24)29)28(30,31)32/h2-10,12,14,20,23,33H,11,13,15-17H2,1H3,(H,35,37)/t20-,23-/m1/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS activity in human A549 cells assessed as amount of GM1 on the cell membrane after 72 hrs by FL-CTB-based fluorescent microscopy


Bioorg Med Chem Lett 21: 6773-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.037
BindingDB Entry DOI: 10.7270/Q2833SG2
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50356094
PNG
(CHEMBL1911829)
Show SMILES FC(F)(F)c1ccc(Oc2ncccc2C(=O)N[C@H](COCc2ccccc2)C(=O)N[C@@H]2CN3CCC2CC3)c(Cl)c1
Show InChI InChI=1S/C30H30ClF3N4O4/c31-23-15-21(30(32,33)34)8-9-26(23)42-29-22(7-4-12-35-29)27(39)37-25(18-41-17-19-5-2-1-3-6-19)28(40)36-24-16-38-13-10-20(24)11-14-38/h1-9,12,15,20,24-25H,10-11,13-14,16-18H2,(H,36,40)(H,37,39)/t24-,25-/m1/s1
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Exelixis Inc

Curated by ChEMBL


Assay Description
Inhibition of GCS assessed as amount of UDP-glucose consumed during enzyme-catalyzed reaction


Bioorg Med Chem Lett 21: 6773-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.037
BindingDB Entry DOI: 10.7270/Q2833SG2
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM50028256
PNG
(CHEMBL3354636)
Show SMILES OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(cc1F)-c1ccccc1
Show InChI InChI=1S/C24H32FNO5/c25-20-13-18(17-7-3-1-4-8-17)9-10-19(20)16-31-12-6-2-5-11-26-14-22(28)24(30)23(29)21(26)15-27/h1,3-4,7-10,13,21-24,27-30H,2,5-6,11-12,14-16H2/t21-,22-,23+,24+/m0/s1
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Leiden University

Curated by ChEMBL


Assay Description
Inhibition of glucosylceramide synthase (unknown origin) assessed as catabolism of NBD-glucosylceramide


J Med Chem 57: 9096-104 (2014)


Article DOI: 10.1021/jm501181z
BindingDB Entry DOI: 10.7270/Q20003PT
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)


BindingDB Entry DOI: 10.7270/Q21V5H30
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)


BindingDB Entry DOI: 10.7270/Q21V5H30
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM367647
PNG
(8-chloro-N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphe...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1sc(Cl)cc21)c1ccc(OC2CC2)c(Cl)c1
Show InChI InChI=1S/C27H27Cl2N3O4S/c28-20-11-15(3-7-22(20)36-16-4-5-16)26(33)21(13-32-9-1-2-10-32)30-27(34)25-17-6-8-23-18(12-24(29)37-23)19(17)14-35-31-25/h3,6-8,11-12,16,21,26,33H,1-2,4-5,9-10,13-14H2,(H,30,34)/t21-,26-/m1/s1
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BioMarin Pharmaceutical Inc

US Patent


Assay Description
This assay was modified based on the study by Larsen et al. (J. Lipid Res. 2011, 53, 282). Madin-Darby canine kidney (MDCK) cell lysate was prepared ...


US Patent US10227312 (2019)


BindingDB Entry DOI: 10.7270/Q2G44SK0
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM367648
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES Cn1ncc2c3CON=C(C(=O)N[C@H](CN4CCCC4)[C@H](O)c4ccc(OC5CC5)c(Cl)c4)c3ccc12
Show InChI InChI=1S/C27H30ClN5O4/c1-32-23-8-7-18-20(19(23)13-29-32)15-36-31-25(18)27(35)30-22(14-33-10-2-3-11-33)26(34)16-4-9-24(21(28)12-16)37-17-5-6-17/h4,7-9,12-13,17,22,26,34H,2-3,5-6,10-11,14-15H2,1H3,(H,30,35)/t22-,26-/m1/s1
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BioMarin Pharmaceutical Inc

US Patent


Assay Description
This assay was modified based on the study by Larsen et al. (J. Lipid Res. 2011, 53, 282). Madin-Darby canine kidney (MDCK) cell lysate was prepared ...


US Patent US10227312 (2019)


BindingDB Entry DOI: 10.7270/Q2G44SK0
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM367649
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES Cn1ncc2ccc3C(=NOCc3c12)C(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1
Show InChI InChI=1S/C27H30ClN5O4/c1-32-25-17(13-29-32)4-8-19-20(25)15-36-31-24(19)27(35)30-22(14-33-10-2-3-11-33)26(34)16-5-9-23(21(28)12-16)37-18-6-7-18/h4-5,8-9,12-13,18,22,26,34H,2-3,6-7,10-11,14-15H2,1H3,(H,30,35)/t22-,26-/m1/s1
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BioMarin Pharmaceutical Inc

US Patent


Assay Description
This assay was modified based on the study by Larsen et al. (J. Lipid Res. 2011, 53, 282). Madin-Darby canine kidney (MDCK) cell lysate was prepared ...


US Patent US10227312 (2019)


BindingDB Entry DOI: 10.7270/Q2G44SK0
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM367650
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1ncccc21)c1ccc(OC2CC2)c(Cl)c1
Show InChI InChI=1S/C28H29ClN4O4/c29-22-14-17(5-10-25(22)37-18-6-7-18)27(34)24(15-33-12-1-2-13-33)31-28(35)26-20-8-9-23-19(4-3-11-30-23)21(20)16-36-32-26/h3-5,8-11,14,18,24,27,34H,1-2,6-7,12-13,15-16H2,(H,31,35)/t24-,27-/m1/s1
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BioMarin Pharmaceutical Inc

US Patent


Assay Description
This assay was modified based on the study by Larsen et al. (J. Lipid Res. 2011, 53, 282). Madin-Darby canine kidney (MDCK) cell lysate was prepared ...


US Patent US10227312 (2019)


BindingDB Entry DOI: 10.7270/Q2G44SK0
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM367651
PNG
(2-chloro-N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphe...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1cc(Cl)sc21)c1ccc(OC2CC2)c(Cl)c1
Show InChI InChI=1S/C27H27Cl2N3O4S/c28-20-11-15(4-8-22(20)36-17-5-6-17)25(33)21(13-32-9-1-2-10-32)30-27(34)24-18-7-3-16-12-23(29)37-26(16)19(18)14-35-31-24/h3-4,7-8,11-12,17,21,25,33H,1-2,5-6,9-10,13-14H2,(H,30,34)/t21-,25-/m1/s1
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BioMarin Pharmaceutical Inc

US Patent


Assay Description
This assay was modified based on the study by Larsen et al. (J. Lipid Res. 2011, 53, 282). Madin-Darby canine kidney (MDCK) cell lysate was prepared ...


US Patent US10227312 (2019)


BindingDB Entry DOI: 10.7270/Q2G44SK0
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM367659
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(OCC3CCCCC3)ccc12)c1ccc(OC2CC2)c(Cl)c1
Show InChI InChI=1S/C32H40ClN3O5/c33-27-17-22(8-13-29(27)41-24-9-10-24)31(37)28(18-36-14-4-5-15-36)34-32(38)30-26-12-11-25(16-23(26)20-40-35-30)39-19-21-6-2-1-3-7-21/h8,11-13,16-17,21,24,28,31,37H,1-7,9-10,14-15,18-20H2,(H,34,38)/t28-,31-/m1/s1
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BioMarin Pharmaceutical Inc

US Patent


Assay Description
This assay was modified based on the study by Larsen et al. (J. Lipid Res. 2011, 53, 282). Madin-Darby canine kidney (MDCK) cell lysate was prepared ...


US Patent US10227312 (2019)


BindingDB Entry DOI: 10.7270/Q2G44SK0
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM367660
PNG
(N-((1R,2R)-1-(4-cyclopropoxy-3- fluorophenyl)-1-hy...)
Show SMILES Cn1ncc2ccc3C(=NOCc3c12)C(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(F)c1
Show InChI InChI=1S/C27H30FN5O4/c1-32-25-17(13-29-32)4-8-19-20(25)15-36-31-24(19)27(35)30-22(14-33-10-2-3-11-33)26(34)16-5-9-23(21(28)12-16)37-18-6-7-18/h4-5,8-9,12-13,18,22,26,34H,2-3,6-7,10-11,14-15H2,1H3,(H,30,35)/t22-,26-/m1/s1
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BioMarin Pharmaceutical Inc

US Patent


Assay Description
This assay was modified based on the study by Larsen et al. (J. Lipid Res. 2011, 53, 282). Madin-Darby canine kidney (MDCK) cell lysate was prepared ...


US Patent US10227312 (2019)


BindingDB Entry DOI: 10.7270/Q2G44SK0
More data for this
Ligand-Target Pair
Ceramide glucosyltransferase


(Homo sapiens (Human))
BDBM367661
PNG
(2-chloro-N-((1R,2R)-1-(4- cyclopropoxy-3-fluorophe...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1cc(Cl)sc21)c1ccc(OC2CC2)c(F)c1
Show InChI InChI=1S/C27H27ClFN3O4S/c28-23-12-16-3-7-18-19(26(16)37-23)14-35-31-24(18)27(34)30-21(13-32-9-1-2-10-32)25(33)15-4-8-22(20(29)11-15)36-17-5-6-17/h3-4,7-8,11-12,17,21,25,33H,1-2,5-6,9-10,13-14H2,(H,30,34)/t21-,25-/m1/s1
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BioMarin Pharmaceutical Inc

US Patent


Assay Description
This assay was modified based on the study by Larsen et al. (J. Lipid Res. 2011, 53, 282). Madin-Darby canine kidney (MDCK) cell lysate was prepared ...


US Patent US10227312 (2019)


BindingDB Entry DOI: 10.7270/Q2G44SK0
More data for this
Ligand-Target Pair
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