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Patent code US10227312

Compile Data Set for Download or QSAR
Found 46 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))		BDBM367632
PNG
(N-((1R,2R)-1-(4-cyclopropoxy-3- fluorophenyl)-1-hy...)
Show SMILES CN([C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(F)c1)C(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1 |r,t:27|
Show InChI InChI=1S/C32H33F2N3O4/c1-36(32(39)30-26-12-6-21(16-23(26)19-40-35-30)20-4-8-24(33)9-5-20)28(18-37-14-2-3-15-37)31(38)22-7-13-29(27(34)17-22)41-25-10-11-25/h4-9,12-13,16-17,25,28,31,38H,2-3,10-11,14-15,18-19H2,1H3/t28-,31-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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 |r,t:13|
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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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367642
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1cccnc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
Show InChI InChI=1S/C28H29ClN4O4/c29-22-14-18(6-10-24(22)37-19-7-8-19)27(34)23(15-33-12-1-2-13-33)31-28(35)26-20-9-5-17-4-3-11-30-25(17)21(20)16-36-32-26/h3-6,9-11,14,19,23,27,34H,1-2,7-8,12-13,15-16H2,(H,31,35)/t23-,27-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367640
PNG
(N-((1R,2R)-1-(4-cyclopropoxyphenyl)- 1-hydroxy-3-(...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1ccccc21)c1ccc(OC2CC2)cc1 |r,t:13|
Show InChI InChI=1S/C29H31N3O4/c33-28(20-7-10-21(11-8-20)36-22-12-13-22)26(17-32-15-3-4-16-32)30-29(34)27-24-14-9-19-5-1-2-6-23(19)25(24)18-35-31-27/h1-2,5-11,14,22,26,28,33H,3-4,12-13,15-18H2,(H,30,34)/t26-,28-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367635
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc3ccccc3cc12)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
Show InChI InChI=1S/C29H30ClN3O4/c30-24-15-20(7-10-26(24)37-22-8-9-22)28(34)25(16-33-11-3-4-12-33)31-29(35)27-23-14-19-6-2-1-5-18(19)13-21(23)17-36-32-27/h1-2,5-7,10,13-15,22,25,28,34H,3-4,8-9,11-12,16-17H2,(H,31,35)/t25-,28-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367622
PNG
(N-((1R,2R)-3-(azetidin-1-yl)-1-(4- cyclopropoxy-3-...)
Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)c(F)c1 |r,t:12|
Show InChI InChI=1S/C30H29F2N3O4/c31-22-6-2-18(3-7-22)19-4-10-24-21(14-19)17-38-34-28(24)30(37)33-26(16-35-12-1-13-35)29(36)20-5-11-27(25(32)15-20)39-23-8-9-23/h2-7,10-11,14-15,23,26,29,36H,1,8-9,12-13,16-17H2,(H,33,37)/t26-,29-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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 |r,c:8|
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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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367624
PNG
(N-((1R,2R)-3-(azetidin-1-yl)-1-(4- cyclopropoxy-3-...)
Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1)c1ccc(OC2CC2)c(F)c1 |r,t:12|
Show InChI InChI=1S/C28H27ClFN3O4S/c29-25-9-8-24(38-25)16-2-6-20-18(12-16)15-36-32-26(20)28(35)31-22(14-33-10-1-11-33)27(34)17-3-7-23(21(30)13-17)37-19-4-5-19/h2-3,6-9,12-13,19,22,27,34H,1,4-5,10-11,14-15H2,(H,31,35)/t22-,27-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367641
PNG
(N-((1R,2R)-3-(azetidin-1-yl)-1-(3- chloro-4-cyclop...)
Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2c1ccc1ccccc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:12|
Show InChI InChI=1S/C28H28ClN3O4/c29-23-14-18(7-11-25(23)36-19-8-9-19)27(33)24(15-32-12-3-13-32)30-28(34)26-21-10-6-17-4-1-2-5-20(17)22(21)16-35-31-26/h1-2,4-7,10-11,14,19,24,27,33H,3,8-9,12-13,15-16H2,(H,30,34)/t24-,27-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367618
PNG
(N-((1R,2R)-1-(8-fluoro-2,3- dihydrobenzo[b][1,4]di...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1cc(F)c2OCCOc2c1 |r,t:13|
Show InChI InChI=1S/C30H29F2N3O5/c31-22-6-3-18(4-7-22)19-5-8-23-21(13-19)17-40-34-27(23)30(37)33-25(16-35-9-1-2-10-35)28(36)20-14-24(32)29-26(15-20)38-11-12-39-29/h3-8,13-15,25,28,36H,1-2,9-12,16-17H2,(H,33,37)/t25-,28-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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 |r,t:13|
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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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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 |r,t:8|
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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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367644
PNG
(N-((1R,2R)-1-(4-cyclopropoxyphenyl)- 1-hydroxy-3-(...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1cc(F)ccc21)c1ccc(OC2CC2)cc1 |r,t:13|
Show InChI InChI=1S/C29H30FN3O4/c30-20-6-12-23-19(15-20)5-11-24-25(23)17-36-32-27(24)29(35)31-26(16-33-13-1-2-14-33)28(34)18-3-7-21(8-4-18)37-22-9-10-22/h3-8,11-12,15,22,26,28,34H,1-2,9-10,13-14,16-17H2,(H,31,35)/t26-,28-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367643
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1cc(F)ccc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
Show InChI InChI=1S/C29H29ClFN3O4/c30-24-14-18(4-10-26(24)38-20-6-7-20)28(35)25(15-34-11-1-2-12-34)32-29(36)27-22-8-3-17-13-19(31)5-9-21(17)23(22)16-37-33-27/h3-5,8-10,13-14,20,25,28,35H,1-2,6-7,11-12,15-16H2,(H,32,36)/t25-,28-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367629
PNG
(7-(5-chlorothiophen-2-yl)-N-((1R,2R)- 1-(4-cyclopr...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1)c1ccc(OC2CC2)cc1 |r,t:13|
Show InChI InChI=1S/C29H30ClN3O4S/c30-26-12-11-25(38-26)19-5-10-23-20(15-19)17-36-32-27(23)29(35)31-24(16-33-13-1-2-14-33)28(34)18-3-6-21(7-4-18)37-22-8-9-22/h3-7,10-12,15,22,24,28,34H,1-2,8-9,13-14,16-17H2,(H,31,35)/t24-,28-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367617
PNG
(N-((1R,2R)-1-(4-cyclopropoxy-3- fluorophenyl)-1-hy...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)c(F)c1 |r,t:13|
Show InChI InChI=1S/C31H31F2N3O4/c32-23-7-3-19(4-8-23)20-5-11-25-22(15-20)18-39-35-29(25)31(38)34-27(17-36-13-1-2-14-36)30(37)21-6-12-28(26(33)16-21)40-24-9-10-24/h3-8,11-12,15-16,24,27,30,37H,1-2,9-10,13-14,17-18H2,(H,34,38)/t27-,30-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367616
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
Show InChI InChI=1S/C31H31ClFN3O4/c32-26-16-21(6-12-28(26)40-24-9-10-24)30(37)27(17-36-13-1-2-14-36)34-31(38)29-25-11-5-20(15-22(25)18-39-35-29)19-3-7-23(33)8-4-19/h3-8,11-12,15-16,24,27,30,37H,1-2,9-10,13-14,17-18H2,(H,34,38)/t27-,30-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367623
PNG
(7-(5-chlorothiophen-2-yl)-N-((1R,2R)- 1-(4-cyclopr...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1)c1ccc(OC2CC2)c(F)c1 |r,t:13|
Show InChI InChI=1S/C29H29ClFN3O4S/c30-26-10-9-25(39-26)17-3-7-21-19(13-17)16-37-33-27(21)29(36)32-23(15-34-11-1-2-12-34)28(35)18-4-8-24(22(31)14-18)38-20-5-6-20/h3-4,7-10,13-14,20,23,28,35H,1-2,5-6,11-12,15-16H2,(H,32,36)/t23-,28-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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 |r,t:13|
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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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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 |r,c:8|
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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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


BindingDB Entry DOI: 10.7270/Q2G44SK0
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 |r,t:13|
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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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367645
PNG
(N-((1R,2R)-3-(azetidin-1-yl)-1-(3- chloro-4-cyclop...)
Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2c1ccc1cc(F)ccc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:12|
Show InChI InChI=1S/C28H27ClFN3O4/c29-23-13-17(3-9-25(23)37-19-5-6-19)27(34)24(14-33-10-1-11-33)31-28(35)26-21-7-2-16-12-18(30)4-8-20(16)22(21)15-36-32-26/h2-4,7-9,12-13,19,24,27,34H,1,5-6,10-11,14-15H2,(H,31,35)/t24-,27-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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 |r,t:13|
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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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367637
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1ccccc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
Show InChI InChI=1S/C29H30ClN3O4/c30-24-15-19(8-12-26(24)37-20-9-10-20)28(34)25(16-33-13-3-4-14-33)31-29(35)27-22-11-7-18-5-1-2-6-21(18)23(22)17-36-32-27/h1-2,5-8,11-12,15,20,25,28,34H,3-4,9-10,13-14,16-17H2,(H,31,35)/t25-,28-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367625
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
Show InChI InChI=1S/C29H29Cl2N3O4S/c30-22-14-18(4-8-24(22)38-20-5-6-20)28(35)23(15-34-11-1-2-12-34)32-29(36)27-21-7-3-17(13-19(21)16-37-33-27)25-9-10-26(31)39-25/h3-4,7-10,13-14,20,23,28,35H,1-2,5-6,11-12,15-16H2,(H,32,36)/t23-,28-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367626
PNG
(N-((1R,2R)-3-(azetidin-1-yl)-1-(4- cyclopropoxyphe...)
Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1)c1ccc(OC2CC2)cc1 |r,t:12|
Show InChI InChI=1S/C28H28ClN3O4S/c29-25-11-10-24(37-25)18-4-9-22-19(14-18)16-35-31-26(22)28(34)30-23(15-32-12-1-13-32)27(33)17-2-5-20(6-3-17)36-21-7-8-21/h2-6,9-11,14,21,23,27,33H,1,7-8,12-13,15-16H2,(H,30,34)/t23-,27-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367636
PNG
(N-((1R,2R)-3-(azetidin-1-yl)-1-(3- chloro-4-cyclop...)
Show SMILES CN([C@H](CN1CCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1)C(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1 |r,t:26|
Show InChI InChI=1S/C31H31ClFN3O4/c1-35(27(17-36-13-2-14-36)30(37)21-6-12-28(26(32)16-21)40-24-9-10-24)31(38)29-25-11-5-20(15-22(25)18-39-34-29)19-3-7-23(33)8-4-19/h3-8,11-12,15-16,24,27,30,37H,2,9-10,13-14,17-18H2,1H3/t27-,30-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367634
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES CN([C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1)C(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1 |r,t:27|
Show InChI InChI=1S/C32H33ClFN3O4/c1-36(32(39)30-26-12-6-21(16-23(26)19-40-35-30)20-4-8-24(34)9-5-20)28(18-37-14-2-3-15-37)31(38)22-7-13-29(27(33)17-22)41-25-10-11-25/h4-9,12-13,16-17,25,28,31,38H,2-3,10-11,14-15,18-19H2,1H3/t28-,31-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367628
PNG
(7-chloro-N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphe...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1sc1cc(Cl)ccc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:13|
Show InChI InChI=1S/C27H27Cl2N3O4S/c28-16-4-7-18-19-14-35-31-24(26(19)37-23(18)12-16)27(34)30-21(13-32-9-1-2-10-32)25(33)15-3-8-22(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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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367621
PNG
(N-((1R,2R)-3-(azetidin-1-yl)-1-(4- cyclopropoxyphe...)
Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)cc1 |r,t:12|
Show InChI InChI=1S/C30H30FN3O4/c31-23-7-2-19(3-8-23)21-6-13-26-22(16-21)18-37-33-28(26)30(36)32-27(17-34-14-1-15-34)29(35)20-4-9-24(10-5-20)38-25-11-12-25/h2-10,13,16,25,27,29,35H,1,11-12,14-15,17-18H2,(H,32,36)/t27-,29-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367646
PNG
(N-((1R,2R)-3-(azetidin-1-yl)-1-(4- cyclopropoxyphe...)
Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2c1ccc1cc(F)ccc21)c1ccc(OC2CC2)cc1 |r,t:12|
Show InChI InChI=1S/C28H28FN3O4/c29-19-5-11-22-18(14-19)4-10-23-24(22)16-35-31-26(23)28(34)30-25(15-32-12-1-13-32)27(33)17-2-6-20(7-3-17)36-21-8-9-21/h2-7,10-11,14,21,25,27,33H,1,8-9,12-13,15-16H2,(H,30,34)/t25-,27-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367652
PNG
(N-((1R,2R)-1-(4-cyclopropoxy-3- fluorophenyl)-1-hy...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NCCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)c(F)c1 |r,t:13|
Show InChI InChI=1S/C32H33F2N3O3/c33-24-7-3-20(4-8-24)21-5-11-26-22(17-21)13-14-35-30(26)32(39)36-28(19-37-15-1-2-16-37)31(38)23-6-12-29(27(34)18-23)40-25-9-10-25/h3-8,11-12,17-18,25,28,31,38H,1-2,9-10,13-16,19H2,(H,36,39)/t28-,31-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367653
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES CN([C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1)C(=O)C1=NCCc2cc(ccc12)-c1ccc(F)cc1 |r,t:27|
Show InChI InChI=1S/C33H35ClFN3O3/c1-37(33(40)31-27-12-6-22(18-23(27)14-15-36-31)21-4-8-25(35)9-5-21)29(20-38-16-2-3-17-38)32(39)24-7-13-30(28(34)19-24)41-26-10-11-26/h4-9,12-13,18-19,26,29,32,39H,2-3,10-11,14-17,20H2,1H3/t29-,32-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367654
PNG
(N-((1R,2R)-3-(azetidin-1-yl)-1-(4- cyclopropoxyphe...)
Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NCCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)cc1 |r,t:12|
Show InChI InChI=1S/C31H32FN3O3/c32-24-7-2-20(3-8-24)22-6-13-27-23(18-22)14-15-33-29(27)31(37)34-28(19-35-16-1-17-35)30(36)21-4-9-25(10-5-21)38-26-11-12-26/h2-10,13,18,26,28,30,36H,1,11-12,14-17,19H2,(H,34,37)/t28-,30-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367633
PNG
(7-(5-chlorothiophen-2-yl)-N-((1R,2R)- 1-(4-cyclopr...)
Show SMILES CN([C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(F)c1)C(=O)C1=NOCc2cc(ccc12)-c1ccc(Cl)s1 |r,t:27|
Show InChI InChI=1S/C30H31ClFN3O4S/c1-34(30(37)28-22-8-4-18(14-20(22)17-38-33-28)26-10-11-27(31)40-26)24(16-35-12-2-3-13-35)29(36)19-5-9-25(23(32)15-19)39-21-6-7-21/h4-5,8-11,14-15,21,24,29,36H,2-3,6-7,12-13,16-17H2,1H3/t24-,29-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367639
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES CC1ON=C(C(=O)N[C@H](CN2CCCC2)[C@H](O)c2ccc(OC3CC3)c(Cl)c2)c2ccc(cc12)-c1ccc(F)cc1 |r,t:3|
Show InChI InChI=1S/C32H33ClFN3O4/c1-19-26-16-21(20-4-8-23(34)9-5-20)6-12-25(26)30(36-41-19)32(39)35-28(18-37-14-2-3-15-37)31(38)22-7-13-29(27(33)17-22)40-24-10-11-24/h4-9,12-13,16-17,19,24,28,31,38H,2-3,10-11,14-15,18H2,1H3,(H,35,39)/t19?,28-,31-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367627
PNG
(7-chloro-N-((1R,2R)-1-(4- cyclopropoxy-3-fluorophe...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1sc1cc(Cl)ccc21)c1ccc(OC2CC2)c(F)c1 |r,t:13|
Show InChI InChI=1S/C27H27ClFN3O4S/c28-16-4-7-18-19-14-35-31-24(26(19)37-23(18)12-16)27(34)30-21(13-32-9-1-2-10-32)25(33)15-3-8-22(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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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367620
PNG
(N-((1R,2R)-3-(azetidin-1-yl)-1-(3- chloro-4-cyclop...)
Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)c(Cl)c1 |r,t:12|
Show InChI InChI=1S/C30H29ClFN3O4/c31-25-15-20(5-11-27(25)39-23-8-9-23)29(36)26(16-35-12-1-13-35)33-30(37)28-24-10-4-19(14-21(24)17-38-34-28)18-2-6-22(32)7-3-18/h2-7,10-11,14-15,23,26,29,36H,1,8-9,12-13,16-17H2,(H,33,37)/t26-,29-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367658
PNG
(8-chloro-N-((1R,2R)-1-(4- cyclopropoxyphenyl)-1-hy...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2c1ccc1sc(Cl)cc21)c1ccc(OC2CC2)cc1 |r,t:13|
Show InChI InChI=1S/C27H28ClN3O4S/c28-24-13-20-21-15-34-30-25(19(21)9-10-23(20)36-24)27(33)29-22(14-31-11-1-2-12-31)26(32)16-3-5-17(6-4-16)35-18-7-8-18/h3-6,9-10,13,18,22,26,32H,1-2,7-8,11-12,14-15H2,(H,29,33)/t22-,26-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367619
PNG
(N-((1R,2R)-1-(4-cyclopropoxyphenyl)- 1-hydroxy-3-(...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1=NOCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)cc1 |r,t:13|
Show InChI InChI=1S/C31H32FN3O4/c32-24-8-3-20(4-9-24)22-7-14-27-23(17-22)19-38-34-29(27)31(37)33-28(18-35-15-1-2-16-35)30(36)21-5-10-25(11-6-21)39-26-12-13-26/h3-11,14,17,26,28,30,36H,1-2,12-13,15-16,18-19H2,(H,33,37)/t28-,30-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367638
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES CC1(C)ON=C(C(=O)N[C@H](CN2CCCC2)[C@H](O)c2ccc(OC3CC3)c(Cl)c2)c2ccc(cc12)-c1ccc(F)cc1 |r,t:4|
Show InChI InChI=1S/C33H35ClFN3O4/c1-33(2)26-17-21(20-5-9-23(35)10-6-20)7-13-25(26)30(37-42-33)32(40)36-28(19-38-15-3-4-16-38)31(39)22-8-14-29(27(34)18-22)41-24-11-12-24/h5-10,13-14,17-18,24,28,31,39H,3-4,11-12,15-16,19H2,1-2H3,(H,36,40)/t28-,31-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367631
PNG
(N-((1R,2R)-3-(azetidin-1-yl)-1-(3- chloro-4-cyclop...)
Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2c1sc1cc(Cl)ccc21)c1ccc(OC2CC2)c(Cl)c1 |r,t:12|
Show InChI InChI=1S/C26H25Cl2N3O4S/c27-15-3-6-17-18-13-34-30-23(25(18)36-22(17)11-15)26(33)29-20(12-31-8-1-9-31)24(32)14-2-7-21(19(28)10-14)35-16-4-5-16/h2-3,6-7,10-11,16,20,24,32H,1,4-5,8-9,12-13H2,(H,29,33)/t20-,24-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367630
PNG
(N-((1R,2R)-3-(azetidin-1-yl)-1-(4- cyclopropoxy-3-...)
Show SMILES O[C@@H]([C@@H](CN1CCC1)NC(=O)C1=NOCc2c1sc1cc(Cl)ccc21)c1ccc(OC2CC2)c(F)c1 |r,t:12|
Show InChI InChI=1S/C26H25ClFN3O4S/c27-15-3-6-17-18-13-34-30-23(25(18)36-22(17)11-15)26(33)29-20(12-31-8-1-9-31)24(32)14-2-7-21(19(28)10-14)35-16-4-5-16/h2-3,6-7,10-11,16,20,24,32H,1,4-5,8-9,12-13H2,(H,29,33)/t20-,24-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367656
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1OCCc2cc(ccc12)-c1ccc(F)cc1)c1ccc(OC2CC2)c(Cl)c1 |r|
Show InChI InChI=1S/C32H34ClFN2O4/c33-27-18-23(6-12-29(27)40-25-9-10-25)30(37)28(19-36-14-1-2-15-36)35-32(38)31-26-11-5-21(17-22(26)13-16-39-31)20-3-7-24(34)8-4-20/h3-8,11-12,17-18,25,28,30-31,37H,1-2,9-10,13-16,19H2,(H,35,38)/t28-,30-,31?/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367657
PNG
(7-chloro-N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphe...)
Show SMILES O[C@@H]([C@@H](CN1CCCC1)NC(=O)C1OCCc2c1sc1cc(Cl)ccc21)c1ccc(OC2CC2)c(Cl)c1 |r|
Show InChI InChI=1S/C28H30Cl2N2O4S/c29-17-4-7-19-20-9-12-35-26(27(20)37-24(19)14-17)28(34)31-22(15-32-10-1-2-11-32)25(33)16-3-8-23(21(30)13-16)36-18-5-6-18/h3-4,7-8,13-14,18,22,25-26,33H,1-2,5-6,9-12,15H2,(H,31,34)/t22-,25-,26?/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


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


(Homo sapiens (Human))		BDBM367655
PNG
(N-((1R,2R)-1-(3-chloro-4- cyclopropoxyphenyl)-1-hy...)
Show SMILES CC1(C)Cc2cc(ccc2C(=N1)C(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1)-c1ccc(F)cc1 |r,c:11|
Show InChI InChI=1S/C34H37ClFN3O3/c1-34(2)19-24-17-22(21-5-9-25(36)10-6-21)7-13-27(24)31(38-34)33(41)37-29(20-39-15-3-4-16-39)32(40)23-8-14-30(28(35)18-23)42-26-11-12-26/h5-10,13-14,17-18,26,29,32,40H,3-4,11-12,15-16,19-20H2,1-2H3,(H,37,41)/t29-,32-/m1/s1
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Wyeth Research



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 ...

J Med Chem 51: 1319-23 (2008)


BindingDB Entry DOI: 10.7270/Q2G44SK0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%