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PubMed code 26560855

Compile data set for download or QSAR
Found 40 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
Acid ceramidase


(Homo sapiens (Human))		BDBM367209
PNG
(2-oxo-4-phenyl-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES O=C(NCCCCc1ccccc1)n1c2c(cccc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C24H22N2O3/c27-23(25-17-8-7-12-18-10-3-1-4-11-18)26-22-20(19-13-5-2-6-14-19)15-9-16-21(22)29-24(26)28/h1-6,9-11,13-16H,7-8,12,17H2,(H,25,27)
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n/an/a 0.800n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367194
PNG
(5-nitro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole-...)
Show SMILES [O-][N+](=O)c1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C18H17N3O5/c22-17(19-11-5-4-8-13-6-2-1-3-7-13)20-15-12-14(21(24)25)9-10-16(15)26-18(20)23/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,19,22)
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n/an/a 3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367195
PNG
(6-nitro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole-...)
Show SMILES [O-][N+](=O)c1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C18H17N3O5/c22-17(19-11-5-4-8-13-6-2-1-3-7-13)20-15-10-9-14(21(24)25)12-16(15)26-18(20)23/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,19,22)
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n/an/a 3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367185
PNG
(5-fluoro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES Fc1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C18H17FN2O3/c19-14-9-10-16-15(12-14)21(18(23)24-16)17(22)20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,20,22)
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n/an/a 12n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367214
PNG
(6-(4-chlorobenzoyl)-2-oxo-N- (4-phenylbutyl)-1,3- ...)
Show SMILES Clc1ccc(cc1)C(=O)c1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C25H21ClN2O4/c26-20-12-9-18(10-13-20)23(29)19-11-14-21-22(16-19)32-25(31)28(21)24(30)27-15-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-14,16H,4-5,8,15H2,(H,27,30)
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n/an/a 14n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367187
PNG
(5-chloro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES Clc1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C18H17ClN2O3/c19-14-9-10-16-15(12-14)21(18(23)24-16)17(22)20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,20,22)
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n/an/a 15n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367199
PNG
(5,6-dichloro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxa...)
Show SMILES Clc1cc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2cc1Cl
Show InChI InChI=1S/C18H16Cl2N2O3/c19-13-10-15-16(11-14(13)20)25-18(24)22(15)17(23)21-9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,21,23)
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n/an/a 18n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367196
PNG
(2-oxo-N-(4-phenylbutyl)-5- (trifluoromethyl)-1,3- ...)
Show SMILES FC(F)(F)c1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C19H17F3N2O3/c20-19(21,22)14-9-10-16-15(12-14)24(18(26)27-16)17(25)23-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,23,25)
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n/an/a 18n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367201
PNG
(7-bromo-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole-...)
Show SMILES Brc1cccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc12
Show InChI InChI=1S/C18H17BrN2O3/c19-14-10-6-11-15-16(14)24-18(23)21(15)17(22)20-12-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10-11H,4-5,9,12H2,(H,20,22)
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n/an/a 18n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367217
PNG
(2-oxo-N-[(4- propylphenyl)methyl]-1,3- benzoxazole...)
Show SMILES CCCc1ccc(CNC(=O)n2c3ccccc3oc2=O)cc1
Show InChI InChI=1S/C18H18N2O3/c1-2-5-13-8-10-14(11-9-13)12-19-17(21)20-15-6-3-4-7-16(15)23-18(20)22/h3-4,6-11H,2,5,12H2,1H3,(H,19,21)
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n/an/a 19n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367197
PNG
(2-oxo-N-(4-phenylbutyl)-6- (trifluoromethyl)-1,3- ...)
Show SMILES FC(F)(F)c1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C19H17F3N2O3/c20-19(21,22)14-9-10-15-16(12-14)27-18(26)24(15)17(25)23-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,23,25)
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n/an/a 20n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367189
PNG
(5-bromo-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole-...)
Show SMILES Brc1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C18H17BrN2O3/c19-14-9-10-16-15(12-14)21(18(23)24-16)17(22)20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,20,22)
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n/an/a 22n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367200
PNG
(7-methyl-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES Cc1cccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc12
Show InChI InChI=1S/C19H20N2O3/c1-14-8-7-12-16-17(14)24-19(23)21(16)18(22)20-13-6-5-11-15-9-3-2-4-10-15/h2-4,7-10,12H,5-6,11,13H2,1H3,(H,20,22)
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n/an/a 23n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM50499877
PNG
(CHEMBL3739808)
Show SMILES O=C(NCCCCc1ccccc1)n1c2cc(ccc2oc1=O)C(=O)c1ccccc1
Show InChI InChI=1S/C25H22N2O4/c28-23(19-12-5-2-6-13-19)20-14-15-22-21(17-20)27(25(30)31-22)24(29)26-16-8-7-11-18-9-3-1-4-10-18/h1-6,9-10,12-15,17H,7-8,11,16H2,(H,26,29)
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n/an/a 24n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367223
PNG
(2-oxo-N-[4-(p-tolyl)butyl]- 1,3-benzoxazole-3- car...)
Show SMILES Cc1ccc(CCCCNC(=O)n2c3ccccc3oc2=O)cc1
Show InChI InChI=1S/C19H20N2O3/c1-14-9-11-15(12-10-14)6-4-5-13-20-18(22)21-16-7-2-3-8-17(16)24-19(21)23/h2-3,7-12H,4-6,13H2,1H3,(H,20,22)
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n/an/a 25n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367213
PNG
(6-benzoyl-2-oxo-N-(4-phenyl- butyl)-1,3-benzoxazol...)
Show SMILES O=C(NCCCCc1ccccc1)n1c2ccc(cc2oc1=O)C(=O)c1ccccc1
Show InChI InChI=1S/C25H22N2O4/c28-23(19-12-5-2-6-13-19)20-14-15-21-22(17-20)31-25(30)27(21)24(29)26-16-8-7-11-18-9-3-1-4-10-18/h1-6,9-10,12-15,17H,7-8,11,16H2,(H,26,29)
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n/an/a 29n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367186
PNG
(6-fluoro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES Fc1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C18H17FN2O3/c19-14-9-10-15-16(12-14)24-18(23)21(15)17(22)20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,20,22)
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n/an/a 31n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367190
PNG
(6-bromo-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole-...)
Show SMILES Brc1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C18H17BrN2O3/c19-14-9-10-15-16(12-14)24-18(23)21(15)17(22)20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,20,22)
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n/an/a 31n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367188
PNG
(6-chloro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES Clc1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C18H17ClN2O3/c19-14-9-10-15-16(12-14)24-18(23)21(15)17(22)20-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,20,22)
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n/an/a 33n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367220
PNG
(2-oxo-N-[4-(2-thienyl)butyl]- 1,3-benzoxazole-3- c...)
Show SMILES O=C(NCCCCc1cccs1)n1c2ccccc2oc1=O
Show InChI InChI=1S/C16H16N2O3S/c19-15(17-10-4-3-6-12-7-5-11-22-12)18-13-8-1-2-9-14(13)21-16(18)20/h1-2,5,7-9,11H,3-4,6,10H2,(H,17,19)
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n/an/a 37n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367202
PNG
(2-oxo-5-phenyl-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES O=C(NCCCCc1ccccc1)n1c2cc(ccc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C24H22N2O3/c27-23(25-16-8-7-11-18-9-3-1-4-10-18)26-21-17-20(19-12-5-2-6-13-19)14-15-22(21)29-24(26)28/h1-6,9-10,12-15,17H,7-8,11,16H2,(H,25,27)
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n/an/a 42n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367228
PNG
(2-oxo-N-(6-phenylhexyl)-1,3- benzoxazole-3-carboxa...)
Show SMILES O=C(NCCCCCCc1ccccc1)n1c2ccccc2oc1=O
Show InChI InChI=1S/C20H22N2O3/c23-19(22-17-13-7-8-14-18(17)25-20(22)24)21-15-9-2-1-4-10-16-11-5-3-6-12-16/h3,5-8,11-14H,1-2,4,9-10,15H2,(H,21,23)
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n/an/a 51n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367227
PNG
(2-oxo-N-(5-phenylpentyl)- 1,3-benzoxazole-3- carbo...)
Show SMILES O=C(NCCCCCc1ccccc1)n1c2ccccc2oc1=O
Show InChI InChI=1S/C19H20N2O3/c22-18(21-16-12-6-7-13-17(16)24-19(21)23)20-14-8-2-5-11-15-9-3-1-4-10-15/h1,3-4,6-7,9-10,12-13H,2,5,8,11,14H2,(H,20,22)
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n/an/a 54n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367219
PNG
(2-oxo-N-(3-phenylpropyl)- 1,3-benzoxazole-3- carbo...)
Show SMILES O=C(NCCCc1ccccc1)n1c2ccccc2oc1=O
Show InChI InChI=1S/C17H16N2O3/c20-16(18-12-6-9-13-7-2-1-3-8-13)19-14-10-4-5-11-15(14)22-17(19)21/h1-5,7-8,10-11H,6,9,12H2,(H,18,20)
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n/an/a 55n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367204
PNG
(5-(4-fluorophenyl)-2-oxo-N- (4-phenylbutyl)-1,3- b...)
Show SMILES Fc1ccc(cc1)-c1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C24H21FN2O3/c25-20-12-9-18(10-13-20)19-11-14-22-21(16-19)27(24(29)30-22)23(28)26-15-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-14,16H,4-5,8,15H2,(H,26,28)
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n/an/a 56n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367221
PNG
(N-[4-(4- methoxyphenyl)butyl]-2-oxo- 1,3-benzoxazo...)
Show SMILES COc1ccc(CCCCNC(=O)n2c3ccccc3oc2=O)cc1
Show InChI InChI=1S/C19H20N2O4/c1-24-15-11-9-14(10-12-15)6-4-5-13-20-18(22)21-16-7-2-3-8-17(16)25-19(21)23/h2-3,7-12H,4-6,13H2,1H3,(H,20,22)
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n/an/a 63n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367184
PNG
(2-oxo-N-(4-phenylbutyl)-1,3- benzoxazole-3-carboxa...)
Show SMILES O=C(NCCCCc1ccccc1)n1c2ccccc2oc1=O
Show InChI InChI=1S/C18H18N2O3/c21-17(19-13-7-6-10-14-8-2-1-3-9-14)20-15-11-4-5-12-16(15)23-18(20)22/h1-5,8-9,11-12H,6-7,10,13H2,(H,19,21)
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n/an/a 64n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM50499881
PNG
(CHEMBL3740184)
Show SMILES O=C(NCCSCc1ccccc1)n1c2ccccc2oc1=O
Show InChI InChI=1S/C17H16N2O3S/c20-16(18-10-11-23-12-13-6-2-1-3-7-13)19-14-8-4-5-9-15(14)22-17(19)21/h1-9H,10-12H2,(H,18,20)
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n/an/a 65n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367192
PNG
(6-methyl-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES Cc1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C19H20N2O3/c1-14-10-11-16-17(13-14)24-19(23)21(16)18(22)20-12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3,(H,20,22)
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n/an/a 66n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367206
PNG
(6-(4-methoxyphenyl)-2-oxo- N-(4-phenylbutyl)-1,3- ...)
Show SMILES COc1ccc(cc1)-c1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C25H24N2O4/c1-30-21-13-10-19(11-14-21)20-12-15-22-23(17-20)31-25(29)27(22)24(28)26-16-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10-15,17H,5-6,9,16H2,1H3,(H,26,28)
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n/an/a 67n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367203
PNG
(5-(4-methoxyphenyl)-2-oxo- N-(4-phenylbutyl)-1,3- ...)
Show SMILES COc1ccc(cc1)-c1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C25H24N2O4/c1-30-21-13-10-19(11-14-21)20-12-15-23-22(17-20)27(25(29)31-23)24(28)26-16-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,10-15,17H,5-6,9,16H2,1H3,(H,26,28)
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n/an/a 67n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367225
PNG
(N-[4-(2-naphthyl)butyl]-2- oxo-1,3-benzoxazole-3- ...)
Show SMILES O=C(NCCCCc1ccc2ccccc2c1)n1c2ccccc2oc1=O
Show InChI InChI=1S/C22H20N2O3/c25-21(24-19-10-3-4-11-20(19)27-22(24)26)23-14-6-5-7-16-12-13-17-8-1-2-9-18(17)15-16/h1-4,8-13,15H,5-7,14H2,(H,23,25)
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n/an/a 71n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367222
PNG
(N-[4-(4-fluorophenyl)butyl]- 2-oxo-1,3-benzoxazole...)
Show SMILES Fc1ccc(CCCCNC(=O)n2c3ccccc3oc2=O)cc1
Show InChI InChI=1S/C18H17FN2O3/c19-14-10-8-13(9-11-14)5-3-4-12-20-17(22)21-15-6-1-2-7-16(15)24-18(21)23/h1-2,6-11H,3-5,12H2,(H,20,22)
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n/an/a 75n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367207
PNG
(6-(4-fluorophenyl)-2-oxo-N- (4-phenylbutyl)-1,3- b...)
Show SMILES Fc1ccc(cc1)-c1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C24H21FN2O3/c25-20-12-9-18(10-13-20)19-11-14-21-22(16-19)30-24(29)27(21)23(28)26-15-5-4-8-17-6-2-1-3-7-17/h1-3,6-7,9-14,16H,4-5,8,15H2,(H,26,28)
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n/an/a 79n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367205
PNG
(2-oxo-6-phenyl-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES O=C(NCCCCc1ccccc1)n1c2ccc(cc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C24H22N2O3/c27-23(25-16-8-7-11-18-9-3-1-4-10-18)26-21-15-14-20(17-22(21)29-24(26)28)19-12-5-2-6-13-19/h1-6,9-10,12-15,17H,7-8,11,16H2,(H,25,27)
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n/an/a 84n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367210
PNG
(2-oxo-7-phenyl-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES O=C(NCCCCc1ccccc1)n1c2cccc(-c3ccccc3)c2oc1=O
Show InChI InChI=1S/C24H22N2O3/c27-23(25-17-8-7-12-18-10-3-1-4-11-18)26-21-16-9-15-20(22(21)29-24(26)28)19-13-5-2-6-14-19/h1-6,9-11,13-16H,7-8,12,17H2,(H,25,27)
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n/an/a 91n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM367191
PNG
(5-methyl-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES Cc1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1
Show InChI InChI=1S/C19H20N2O3/c1-14-10-11-17-16(13-14)21(19(23)24-17)18(22)20-12-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3,(H,20,22)
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n/an/a 117n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM50499879
PNG
(CHEMBL3742264)
Show SMILES O=C(NCCc1ccccc1)n1c2ccccc2oc1=O
Show InChI InChI=1S/C16H14N2O3/c19-15(17-11-10-12-6-2-1-3-7-12)18-13-8-4-5-9-14(13)21-16(18)20/h1-9H,10-11H2,(H,17,19)
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n/an/a 121n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM50499878
PNG
(CHEMBL3741541)
Show SMILES [O-][N+](=O)c1ccc(CCCCNC(=O)n2c3ccccc3oc2=O)cc1
Show InChI InChI=1S/C18H17N3O5/c22-17(20-15-6-1-2-7-16(15)26-18(20)23)19-12-4-3-5-13-8-10-14(11-9-13)21(24)25/h1-2,6-11H,3-5,12H2,(H,19,22)
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n/an/a 312n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))		BDBM50499880
PNG
(CHEMBL3742284)
Show SMILES O=C(NCCOCc1ccccc1)n1c2ccccc2oc1=O
Show InChI InChI=1S/C17H16N2O4/c20-16(18-10-11-22-12-13-6-2-1-3-7-13)19-14-8-4-5-9-15(14)23-17(19)21/h1-9H,10-12H2,(H,18,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 649n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human acid ceramidase expressed in HEK293 cells using N-[(1S,2R)-2-hydroxy-1-(hydroxymethyl)-4-(2-oxochromen-7-yl)-oxybutyl...

J Med Chem 58: 9258-72 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01188
BindingDB Entry DOI: 10.7270/Q2CF9T36
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%