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Compile Data Set for Download or QSAR

Found 37 hits of affinity data for UniProtKB/TrEMBL: Q16880   
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
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561654
PNG
(CHEMBL4785914)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H22F6N4O4S/c1-10(8-33-20(24,25)26)28-18(32)34-11-3-5-30(6-4-11)14-7-13(19(21,22)23)16-15(29-14)12(9-35-16)17(31)27-2/h7,9-11H,3-6,8H2,1-2H3,(H,27,31)(H,28,32)/t10-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561654
PNG
(CHEMBL4785914)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H22F6N4O4S/c1-10(8-33-20(24,25)26)28-18(32)34-11-3-5-30(6-4-11)14-7-13(19(21,22)23)16-15(29-14)12(9-35-16)17(31)27-2/h7,9-11H,3-6,8H2,1-2H3,(H,27,31)(H,28,32)/t10-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561669
PNG
(CHEMBL4787939)
Show SMILES CC[C@H](C)NC(=O)OC1CCN(CC1)c1cc(c2scc(C(=O)NC)c2n1)C(F)(F)F
Show InChI InChI=1S/C20H25F3N4O3S/c1-4-11(2)25-19(29)30-12-5-7-27(8-6-12)15-9-14(20(21,22)23)17-16(26-15)13(10-31-17)18(28)24-3/h9-12H,4-8H2,1-3H3,(H,24,28)(H,25,29)/t11-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561671
PNG
(CHEMBL4796521)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NCCOC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H20F6N4O4S/c1-26-16(30)11-9-34-15-12(18(20,21)22)8-13(28-14(11)15)29-5-2-10(3-6-29)33-17(31)27-4-7-32-19(23,24)25/h8-10H,2-7H2,1H3,(H,26,30)(H,27,31)
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n/an/a 0.400n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561671
PNG
(CHEMBL4796521)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NCCOC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H20F6N4O4S/c1-26-16(30)11-9-34-15-12(18(20,21)22)8-13(28-14(11)15)29-5-2-10(3-6-29)33-17(31)27-4-7-32-19(23,24)25/h8-10H,2-7H2,1H3,(H,26,30)(H,27,31)
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n/an/a 0.600n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561670
PNG
(CHEMBL4750073)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)C1CC1)C(F)(F)F
Show InChI InChI=1S/C21H25F3N4O3S/c1-11(12-3-4-12)26-20(30)31-13-5-7-28(8-6-13)16-9-15(21(22,23)24)18-17(27-16)14(10-32-18)19(29)25-2/h9-13H,3-8H2,1-2H3,(H,25,29)(H,26,30)/t11-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561669
PNG
(CHEMBL4787939)
Show SMILES CC[C@H](C)NC(=O)OC1CCN(CC1)c1cc(c2scc(C(=O)NC)c2n1)C(F)(F)F
Show InChI InChI=1S/C20H25F3N4O3S/c1-4-11(2)25-19(29)30-12-5-7-27(8-6-12)15-9-14(20(21,22)23)17-16(26-15)13(10-31-17)18(28)24-3/h9-12H,4-8H2,1-3H3,(H,24,28)(H,25,29)/t11-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561664
PNG
(CHEMBL4776963)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NCC1CC1)C(F)(F)F
Show InChI InChI=1S/C20H23F3N4O3S/c1-24-18(28)13-10-31-17-14(20(21,22)23)8-15(26-16(13)17)27-6-4-12(5-7-27)30-19(29)25-9-11-2-3-11/h8,10-12H,2-7,9H2,1H3,(H,24,28)(H,25,29)
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n/an/a 1n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561670
PNG
(CHEMBL4750073)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)C1CC1)C(F)(F)F
Show InChI InChI=1S/C21H25F3N4O3S/c1-11(12-3-4-12)26-20(30)31-13-5-7-28(8-6-13)16-9-15(21(22,23)24)18-17(27-16)14(10-32-18)19(29)25-2/h9-13H,3-8H2,1-2H3,(H,25,29)(H,26,30)/t11-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561672
PNG
(CHEMBL4750432)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N1CC(C1)OC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H20F6N4O4S/c1-27-17(31)12-9-35-16-13(19(21,22)23)6-14(28-15(12)16)29-4-2-10(3-5-29)33-18(32)30-7-11(8-30)34-20(24,25)26/h6,9-11H,2-5,7-8H2,1H3,(H,27,31)
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n/an/a 1.70n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561663
PNG
(CHEMBL4765010)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NC(C)C)C(F)(F)F
Show InChI InChI=1S/C19H23F3N4O3S/c1-10(2)24-18(28)29-11-4-6-26(7-5-11)14-8-13(19(20,21)22)16-15(25-14)12(9-30-16)17(27)23-3/h8-11H,4-7H2,1-3H3,(H,23,27)(H,24,28)
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n/an/a 2n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561663
PNG
(CHEMBL4765010)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NC(C)C)C(F)(F)F
Show InChI InChI=1S/C19H23F3N4O3S/c1-10(2)24-18(28)29-11-4-6-26(7-5-11)14-8-13(19(20,21)22)16-15(25-14)12(9-30-16)17(27)23-3/h8-11H,4-7H2,1-3H3,(H,23,27)(H,24,28)
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n/an/a 2n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561672
PNG
(CHEMBL4750432)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N1CC(C1)OC(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H20F6N4O4S/c1-27-17(31)12-9-35-16-13(19(21,22)23)6-14(28-15(12)16)29-4-2-10(3-5-29)33-18(32)30-7-11(8-30)34-20(24,25)26/h6,9-11H,2-5,7-8H2,1H3,(H,27,31)
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n/an/a 2.90n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561664
PNG
(CHEMBL4776963)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NCC1CC1)C(F)(F)F
Show InChI InChI=1S/C20H23F3N4O3S/c1-24-18(28)13-10-31-17-14(20(21,22)23)8-15(26-16(13)17)27-6-4-12(5-7-27)30-19(29)25-9-11-2-3-11/h8,10-12H,2-7,9H2,1H3,(H,24,28)(H,25,29)
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n/an/a 3n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561665
PNG
(CHEMBL4755797)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)NC(=O)OCC1CC1)C(F)(F)F
Show InChI InChI=1S/C20H23F3N4O3S/c1-24-18(28)13-10-31-17-14(20(21,22)23)8-15(26-16(13)17)27-6-4-12(5-7-27)25-19(29)30-9-11-2-3-11/h8,10-12H,2-7,9H2,1H3,(H,24,28)(H,25,29)
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n/an/a 18n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561665
PNG
(CHEMBL4755797)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)NC(=O)OCC1CC1)C(F)(F)F
Show InChI InChI=1S/C20H23F3N4O3S/c1-24-18(28)13-10-31-17-14(20(21,22)23)8-15(26-16(13)17)27-6-4-12(5-7-27)25-19(29)30-9-11-2-3-11/h8,10-12H,2-7,9H2,1H3,(H,24,28)(H,25,29)
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n/an/a 37n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561667
PNG
(CHEMBL4757982)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CC(C1)NC(=O)OCC1CC1)C(F)(F)F
Show InChI InChI=1S/C18H19F3N4O3S/c1-22-16(26)11-8-29-15-12(18(19,20)21)4-13(24-14(11)15)25-5-10(6-25)23-17(27)28-7-9-2-3-9/h4,8-10H,2-3,5-7H2,1H3,(H,22,26)(H,23,27)
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n/an/a 43n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561667
PNG
(CHEMBL4757982)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CC(C1)NC(=O)OCC1CC1)C(F)(F)F
Show InChI InChI=1S/C18H19F3N4O3S/c1-22-16(26)11-8-29-15-12(18(19,20)21)4-13(24-14(11)15)25-5-10(6-25)23-17(27)28-7-9-2-3-9/h4,8-10H,2-3,5-7H2,1H3,(H,22,26)(H,23,27)
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n/an/a 48n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561655
PNG
(CHEMBL4760937)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCN(CC(=O)NC(C)C)CC1)C(F)(F)F
Show InChI InChI=1S/C19H24F3N5O2S/c1-11(2)24-15(28)9-26-4-6-27(7-5-26)14-8-13(19(20,21)22)17-16(25-14)12(10-30-17)18(29)23-3/h8,10-11H,4-7,9H2,1-3H3,(H,23,29)(H,24,28)
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n/an/a 67n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561655
PNG
(CHEMBL4760937)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCN(CC(=O)NC(C)C)CC1)C(F)(F)F
Show InChI InChI=1S/C19H24F3N5O2S/c1-11(2)24-15(28)9-26-4-6-27(7-5-26)14-8-13(19(20,21)22)17-16(25-14)12(10-30-17)18(29)23-3/h8,10-11H,4-7,9H2,1-3H3,(H,23,29)(H,24,28)
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n/an/a 90n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561657
PNG
(CHEMBL4795937)
Show SMILES CCC(=O)c1csc2c(cc(nc12)N1CCN(CC(=O)NC(C)C)CC1)C(F)(F)F
Show InChI InChI=1S/C20H25F3N4O2S/c1-4-15(28)13-11-30-19-14(20(21,22)23)9-16(25-18(13)19)27-7-5-26(6-8-27)10-17(29)24-12(2)3/h9,11-12H,4-8,10H2,1-3H3,(H,24,29)
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n/an/a 97n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561657
PNG
(CHEMBL4795937)
Show SMILES CCC(=O)c1csc2c(cc(nc12)N1CCN(CC(=O)NC(C)C)CC1)C(F)(F)F
Show InChI InChI=1S/C20H25F3N4O2S/c1-4-15(28)13-11-30-19-14(20(21,22)23)9-16(25-18(13)19)27-7-5-26(6-8-27)10-17(29)24-12(2)3/h9,11-12H,4-8,10H2,1-3H3,(H,24,29)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561658
PNG
(CHEMBL4799472)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCN(CC1)C(C)C(=O)NC1CC1)C(F)(F)F
Show InChI InChI=1S/C20H24F3N5O2S/c1-11(18(29)25-12-3-4-12)27-5-7-28(8-6-27)15-9-14(20(21,22)23)17-16(26-15)13(10-31-17)19(30)24-2/h9-12H,3-8H2,1-2H3,(H,24,30)(H,25,29)
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n/an/a 170n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561662
PNG
(CHEMBL4797076)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCN(CC(O)COC(C)(C)C)CC1)C(F)(F)F
Show InChI InChI=1S/C21H29F3N4O3S/c1-20(2,3)31-11-13(29)10-27-5-7-28(8-6-27)16-9-15(21(22,23)24)18-17(26-16)14(12-32-18)19(30)25-4/h9,12-13,29H,5-8,10-11H2,1-4H3,(H,25,30)
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n/an/a 190n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561661
PNG
(CHEMBL4751927)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCN(CCOC(C)C)CC1)C(F)(F)F
Show InChI InChI=1S/C19H25F3N4O2S/c1-12(2)28-9-8-25-4-6-26(7-5-25)15-10-14(19(20,21)22)17-16(24-15)13(11-29-17)18(27)23-3/h10-12H,4-9H2,1-3H3,(H,23,27)
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n/an/a 200n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561668
PNG
(CHEMBL4764180)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CC(C1)OC(=O)NCC1CC1)C(F)(F)F
Show InChI InChI=1S/C18H19F3N4O3S/c1-22-16(26)11-8-29-15-12(18(19,20)21)4-13(24-14(11)15)25-6-10(7-25)28-17(27)23-5-9-2-3-9/h4,8-10H,2-3,5-7H2,1H3,(H,22,26)(H,23,27)
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n/an/a 200n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561656
PNG
(CHEMBL4747085)
Show SMILES CC(C)NC(=O)CN1CCN(CC1)c1cc(c2scc(C(=O)N3CCC3)c2n1)C(F)(F)F
Show InChI InChI=1S/C21H26F3N5O2S/c1-13(2)25-17(30)11-27-6-8-28(9-7-27)16-10-15(21(22,23)24)19-18(26-16)14(12-32-19)20(31)29-4-3-5-29/h10,12-13H,3-9,11H2,1-2H3,(H,25,30)
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n/an/a 320n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561661
PNG
(CHEMBL4751927)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCN(CCOC(C)C)CC1)C(F)(F)F
Show InChI InChI=1S/C19H25F3N4O2S/c1-12(2)28-9-8-25-4-6-26(7-5-25)15-10-14(19(20,21)22)17-16(24-15)13(11-29-17)18(27)23-3/h10-12H,4-9H2,1-3H3,(H,23,27)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561662
PNG
(CHEMBL4797076)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCN(CC(O)COC(C)(C)C)CC1)C(F)(F)F
Show InChI InChI=1S/C21H29F3N4O3S/c1-20(2,3)31-11-13(29)10-27-5-7-28(8-6-27)16-9-15(21(22,23)24)18-17(26-16)14(12-32-18)19(30)25-4/h9,12-13,29H,5-8,10-11H2,1-4H3,(H,25,30)
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n/an/a 350n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561658
PNG
(CHEMBL4799472)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCN(CC1)C(C)C(=O)NC1CC1)C(F)(F)F
Show InChI InChI=1S/C20H24F3N5O2S/c1-11(18(29)25-12-3-4-12)27-5-7-28(8-6-27)15-9-14(20(21,22)23)17-16(26-15)13(10-31-17)19(30)24-2/h9-12H,3-8H2,1-2H3,(H,24,30)(H,25,29)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561659
PNG
(CHEMBL4745037)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCN(CC1)C(=O)COC(C)C)C(F)(F)F
Show InChI InChI=1S/C19H23F3N4O3S/c1-11(2)29-9-15(27)26-6-4-25(5-7-26)14-8-13(19(20,21)22)17-16(24-14)12(10-30-17)18(28)23-3/h8,10-11H,4-7,9H2,1-3H3,(H,23,28)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561673
PNG
(CHEMBL4799203)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NCCN1CCCC1)C(F)(F)F
Show InChI InChI=1S/C22H28F3N5O3S/c1-26-20(31)15-13-34-19-16(22(23,24)25)12-17(28-18(15)19)30-9-4-14(5-10-30)33-21(32)27-6-11-29-7-2-3-8-29/h12-14H,2-11H2,1H3,(H,26,31)(H,27,32)
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n/an/a 510n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561660
PNG
(CHEMBL4791074)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCN(CC(=O)C(C)(C)C)CC1)C(F)(F)F
Show InChI InChI=1S/C20H25F3N4O2S/c1-19(2,3)14(28)10-26-5-7-27(8-6-26)15-9-13(20(21,22)23)17-16(25-15)12(11-30-17)18(29)24-4/h9,11H,5-8,10H2,1-4H3,(H,24,29)
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n/an/a 610n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561666
PNG
(CHEMBL4762406)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(C1)OC(=O)NCC1CC1)C(F)(F)F
Show InChI InChI=1S/C19H21F3N4O3S/c1-23-17(27)12-9-30-16-13(19(20,21)22)6-14(25-15(12)16)26-5-4-11(8-26)29-18(28)24-7-10-2-3-10/h6,9-11H,2-5,7-8H2,1H3,(H,23,27)(H,24,28)
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n/an/a 610n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561656
PNG
(CHEMBL4747085)
Show SMILES CC(C)NC(=O)CN1CCN(CC1)c1cc(c2scc(C(=O)N3CCC3)c2n1)C(F)(F)F
Show InChI InChI=1S/C21H26F3N5O2S/c1-13(2)25-17(30)11-27-6-8-28(9-7-27)16-10-15(21(22,23)24)19-18(26-16)14(12-32-19)20(31)29-4-3-5-29/h10,12-13H,3-9,11H2,1-2H3,(H,25,30)
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n/an/a 640n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561659
PNG
(CHEMBL4745037)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCN(CC1)C(=O)COC(C)C)C(F)(F)F
Show InChI InChI=1S/C19H23F3N4O3S/c1-11(2)29-9-15(27)26-6-4-25(5-7-26)14-8-13(19(20,21)22)17-16(24-14)12(10-30-17)18(28)23-3/h8,10-11H,4-7,9H2,1-3H3,(H,23,28)
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Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase


(Homo sapiens)
BDBM50561674
PNG
(CHEMBL4752928)
Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N1CC(CN(C)C)C1)C(F)(F)F
Show InChI InChI=1S/C22H28F3N5O3S/c1-26-20(31)15-12-34-19-16(22(23,24)25)8-17(27-18(15)19)29-6-4-14(5-7-29)33-21(32)30-10-13(11-30)9-28(2)3/h8,12-14H,4-7,9-11H2,1-3H3,(H,26,31)
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n/an/a 980n/an/an/an/an/an/a



Sanofi R&D

Curated by ChEMBL


Assay Description
Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis


ACS Med Chem Lett 11: 2010-2016 (2020)

More data for this
Ligand-Target Pair