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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 267.3
BDBM50431247
Wt: 253.2
BDBM50431249
Wt: 225.2
BDBM50431250
Wt: 211.2
BDBM50431251
Wt: 253.2
BDBM50431259
Wt: 271.2
BDBM50431260
Wt: 268.3
BDBM50431261
Wt: 269.2
BDBM50431268
Wt: 269.2
BDBM50431269
Wt: 267.3
BDBM50431270
Wt: 253.2
BDBM50431273
Wt: 239.2
BDBM50431274
Wt: 257.2
BDBM50431275
Purchase
Wt: 248.2
BDBM50151055
Wt: 268.3
BDBM50151057
Displayed 1 to 15 (of 47 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 23 hits in this display   
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 (AC)


(Rattus norvegicus (Rat))
BDBM50431260
PNG
(CHEMBL2333048)
Show SMILES CCCCCCNC(=O)n1cc(F)c(=O)n(C)c1=O
Show InChI InChI=1S/C12H18FN3O3/c1-3-4-5-6-7-14-11(18)16-8-9(13)10(17)15(2)12(16)19/h8H,3-7H2,1-2H3,(H,14,18)
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n/an/a 13n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to sub...


J Med Chem 56: 3518-30 (2013)


Article DOI: 10.1021/jm301879g
BindingDB Entry DOI: 10.7270/Q27D2WH5
More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151055
PNG
(CHEMBL3771111)
Show SMILES CCc1ccc(COC(=O)N[C@H]2CNC2=O)cc1
Show InChI InChI=1S/C13H16N2O3/c1-2-9-3-5-10(6-4-9)8-18-13(17)15-11-7-14-12(11)16/h3-6,11H,2,7-8H2,1H3,(H,14,16)(H,15,17)/t11-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Italian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NAAA expressed in HEK293 cells after 30 mins by UPLC/MS analysis


Eur J Med Chem 111: 138-59 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.046
BindingDB Entry DOI: 10.7270/Q2GQ70MX
More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151057
PNG
(CHEMBL3770726)
Show SMILES O=C(N[C@H]1CNC1=O)OCCCCC1CCCCC1
Show InChI InChI=1S/C14H24N2O3/c17-13-12(10-15-13)16-14(18)19-9-5-4-8-11-6-2-1-3-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)/t12-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Italian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NAAA expressed in HEK293 cells after 30 mins by UPLC/MS analysis


Eur J Med Chem 111: 138-59 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.046
BindingDB Entry DOI: 10.7270/Q2GQ70MX
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431275
PNG
(CARMOFUR | Mifurol)
Show SMILES CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
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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 rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to sub...


J Med Chem 56: 3518-30 (2013)


Article DOI: 10.1021/jm301879g
BindingDB Entry DOI: 10.7270/Q27D2WH5
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431259
PNG
(CHEMBL2333049)
Show SMILES CCCCCCNC(=O)n1ccc(=O)n(C)c1=O
Show InChI InChI=1S/C12H19N3O3/c1-3-4-5-6-8-13-11(17)15-9-7-10(16)14(2)12(15)18/h7,9H,3-6,8H2,1-2H3,(H,13,17)
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n/an/a 53n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to sub...


J Med Chem 56: 3518-30 (2013)


Article DOI: 10.1021/jm301879g
BindingDB Entry DOI: 10.7270/Q27D2WH5
More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151057
PNG
(CHEMBL3770726)
Show SMILES O=C(N[C@H]1CNC1=O)OCCCCC1CCCCC1
Show InChI InChI=1S/C14H24N2O3/c17-13-12(10-15-13)16-14(18)19-9-5-4-8-11-6-2-1-3-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)/t12-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



Italian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD4 bromodomain1 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


Eur J Med Chem 111: 138-59 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.046
BindingDB Entry DOI: 10.7270/Q2GQ70MX
More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151055
PNG
(CHEMBL3771111)
Show SMILES CCc1ccc(COC(=O)N[C@H]2CNC2=O)cc1
Show InChI InChI=1S/C13H16N2O3/c1-2-9-3-5-10(6-4-9)8-18-13(17)15-11-7-14-12(11)16/h3-6,11H,2,7-8H2,1H3,(H,14,16)(H,15,17)/t11-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Italian Institute of Technology

Curated by ChEMBL


Assay Description
Binding affinity to his-tagged human BRD4 bromodomain1 by isothermal titration calorimetric analysis


Eur J Med Chem 111: 138-59 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.046
BindingDB Entry DOI: 10.7270/Q2GQ70MX
More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151055
PNG
(CHEMBL3771111)
Show SMILES CCc1ccc(COC(=O)N[C@H]2CNC2=O)cc1
Show InChI InChI=1S/C13H16N2O3/c1-2-9-3-5-10(6-4-9)8-18-13(17)15-11-7-14-12(11)16/h3-6,11H,2,7-8H2,1H3,(H,14,16)(H,15,17)/t11-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Italian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human NAAA expressed in HEK293 cells preincubated for 10 mins followed by N-(4-methyl-2-oxo-chromen-7-yl)-hexadecanamide substrate addi...


Eur J Med Chem 111: 138-59 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.046
BindingDB Entry DOI: 10.7270/Q2GQ70MX
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431247
PNG
(CHEMBL2333061)
Show SMILES CCCCCCCCNC(=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C13H21N3O3/c1-2-3-4-5-6-7-9-14-12(18)16-10-8-11(17)15-13(16)19/h8,10H,2-7,9H2,1H3,(H,14,18)(H,15,17,19)
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n/an/a 283n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to sub...


J Med Chem 56: 3518-30 (2013)


Article DOI: 10.1021/jm301879g
BindingDB Entry DOI: 10.7270/Q27D2WH5
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431249
PNG
(CHEMBL2333059)
Show SMILES CCCCCCCNC(=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C12H19N3O3/c1-2-3-4-5-6-8-13-11(17)15-9-7-10(16)14-12(15)18/h7,9H,2-6,8H2,1H3,(H,13,17)(H,14,16,18)
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n/an/a 325n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to sub...


J Med Chem 56: 3518-30 (2013)


Article DOI: 10.1021/jm301879g
BindingDB Entry DOI: 10.7270/Q27D2WH5
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431269
PNG
(CHEMBL2333035 | US9428465, 7)
Show SMILES CCCCCCNC(=O)n1cc(CO)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H19N3O4/c1-2-3-4-5-6-13-11(18)15-7-9(8-16)10(17)14-12(15)19/h7,16H,2-6,8H2,1H3,(H,13,18)(H,14,17,19)
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n/an/a 417n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to sub...


J Med Chem 56: 3518-30 (2013)


Article DOI: 10.1021/jm301879g
BindingDB Entry DOI: 10.7270/Q27D2WH5
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431269
PNG
(CHEMBL2333035 | US9428465, 7)
Show SMILES CCCCCCNC(=O)n1cc(CO)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H19N3O4/c1-2-3-4-5-6-13-11(18)15-7-9(8-16)10(17)14-12(15)19/h7,16H,2-6,8H2,1H3,(H,13,18)(H,14,17,19)
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n/an/a 420n/an/an/an/a4.5n/a



Fondazione Istituto Italiano Di Technologia

US Patent


Assay Description
r-AC protein samples were pre-incubated with various concentrations of test compounds or vehicle control in 100 mM NaH2PO4/citrate buffer pH 4.5, 0.1...


US Patent US9428465 (2016)


BindingDB Entry DOI: 10.7270/Q26972GB
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431274
PNG
(CHEMBL2333065)
Show SMILES CCCCCCNC(=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C11H17N3O3/c1-2-3-4-5-7-12-10(16)14-8-6-9(15)13-11(14)17/h6,8H,2-5,7H2,1H3,(H,12,16)(H,13,15,17)
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n/an/a 426n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to sub...


J Med Chem 56: 3518-30 (2013)


Article DOI: 10.1021/jm301879g
BindingDB Entry DOI: 10.7270/Q27D2WH5
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431270
PNG
(CHEMBL2333034)
Show SMILES CCCCCCNC(=O)n1cc(CC)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H21N3O3/c1-3-5-6-7-8-14-12(18)16-9-10(4-2)11(17)15-13(16)19/h9H,3-8H2,1-2H3,(H,14,18)(H,15,17,19)
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n/an/a 733n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to sub...


J Med Chem 56: 3518-30 (2013)


Article DOI: 10.1021/jm301879g
BindingDB Entry DOI: 10.7270/Q27D2WH5
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431268
PNG
(CHEMBL2333036 | US9428465, 9)
Show SMILES CCCCCCNC(=O)n1cc(OC)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H19N3O4/c1-3-4-5-6-7-13-11(17)15-8-9(19-2)10(16)14-12(15)18/h8H,3-7H2,1-2H3,(H,13,17)(H,14,16,18)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to sub...


J Med Chem 56: 3518-30 (2013)


Article DOI: 10.1021/jm301879g
BindingDB Entry DOI: 10.7270/Q27D2WH5
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431268
PNG
(CHEMBL2333036 | US9428465, 9)
Show SMILES CCCCCCNC(=O)n1cc(OC)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H19N3O4/c1-3-4-5-6-7-13-11(17)15-8-9(19-2)10(16)14-12(15)18/h8H,3-7H2,1-2H3,(H,13,17)(H,14,16,18)
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n/an/a 1.10E+3n/an/an/an/a4.5n/a



Fondazione Istituto Italiano Di Technologia

US Patent


Assay Description
r-AC protein samples were pre-incubated with various concentrations of test compounds or vehicle control in 100 mM NaH2PO4/citrate buffer pH 4.5, 0.1...


US Patent US9428465 (2016)


BindingDB Entry DOI: 10.7270/Q26972GB
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431273
PNG
(CHEMBL2333031)
Show SMILES CCCCCCNC(=O)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H19N3O3/c1-3-4-5-6-7-13-11(17)15-8-9(2)10(16)14-12(15)18/h8H,3-7H2,1-2H3,(H,13,17)(H,14,16,18)
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n/an/a 1.46E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to sub...


J Med Chem 56: 3518-30 (2013)


Article DOI: 10.1021/jm301879g
BindingDB Entry DOI: 10.7270/Q27D2WH5
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431250
PNG
(CHEMBL2333058)
Show SMILES CCCCCNC(=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C10H15N3O3/c1-2-3-4-6-11-9(15)13-7-5-8(14)12-10(13)16/h5,7H,2-4,6H2,1H3,(H,11,15)(H,12,14,16)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to sub...


J Med Chem 56: 3518-30 (2013)


Article DOI: 10.1021/jm301879g
BindingDB Entry DOI: 10.7270/Q27D2WH5
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431261
PNG
(CHEMBL2333044 | US9428465, 11)
Show SMILES CCCCCCNC(=O)n1cc(NC)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H20N4O3/c1-3-4-5-6-7-14-11(18)16-8-9(13-2)10(17)15-12(16)19/h8,13H,3-7H2,1-2H3,(H,14,18)(H,15,17,19)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to sub...


J Med Chem 56: 3518-30 (2013)


Article DOI: 10.1021/jm301879g
BindingDB Entry DOI: 10.7270/Q27D2WH5
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431261
PNG
(CHEMBL2333044 | US9428465, 11)
Show SMILES CCCCCCNC(=O)n1cc(NC)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H20N4O3/c1-3-4-5-6-7-14-11(18)16-8-9(13-2)10(17)15-12(16)19/h8,13H,3-7H2,1-2H3,(H,14,18)(H,15,17,19)
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n/an/a 3.40E+3n/an/an/an/a4.5n/a



Fondazione Istituto Italiano Di Technologia

US Patent


Assay Description
r-AC protein samples were pre-incubated with various concentrations of test compounds or vehicle control in 100 mM NaH2PO4/citrate buffer pH 4.5, 0.1...


US Patent US9428465 (2016)


BindingDB Entry DOI: 10.7270/Q26972GB
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Homo sapiens (Human))
BDBM50151057
PNG
(CHEMBL3770726)
Show SMILES O=C(N[C@H]1CNC1=O)OCCCCC1CCCCC1
Show InChI InChI=1S/C14H24N2O3/c17-13-12(10-15-13)16-14(18)19-9-5-4-8-11-6-2-1-3-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)/t12-/m0/s1
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n/an/a 6.27E+3n/an/an/an/an/an/a



Italian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human acid ceramidase by UPLC/MS analysis


Eur J Med Chem 111: 138-59 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.046
BindingDB Entry DOI: 10.7270/Q2GQ70MX
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Homo sapiens (Human))
BDBM50151055
PNG
(CHEMBL3771111)
Show SMILES CCc1ccc(COC(=O)N[C@H]2CNC2=O)cc1
Show InChI InChI=1S/C13H16N2O3/c1-2-9-3-5-10(6-4-9)8-18-13(17)15-11-7-14-12(11)16/h3-6,11H,2,7-8H2,1H3,(H,14,16)(H,15,17)/t11-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.09E+3n/an/an/an/an/an/a



Italian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human acid ceramidase by UPLC/MS analysis


Eur J Med Chem 111: 138-59 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.046
BindingDB Entry DOI: 10.7270/Q2GQ70MX
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431251
PNG
(CHEMBL2333057)
Show SMILES CCCCNC(=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C9H13N3O3/c1-2-3-5-10-8(14)12-6-4-7(13)11-9(12)15/h4,6H,2-3,5H2,1H3,(H,10,14)(H,11,13,15)
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant acid ceramidase expressed in human HEK293 cells using N-lauroylceramide as substrate incubated for 30 mins prior to sub...


J Med Chem 56: 3518-30 (2013)


Article DOI: 10.1021/jm301879g
BindingDB Entry DOI: 10.7270/Q27D2WH5
More data for this
Ligand-Target Pair