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Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'realini' and Initial = 'n'   
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)


(Homo sapiens (Human))
BDBM29080
PNG
(CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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5.00E+5n/an/an/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of acid ceramidase (unknown origin)


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


(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



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367226
PNG
(4-fluoro-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole...)
Show SMILES Fc1cccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c12
Show InChI InChI=1S/C18H17FN2O3/c19-14-10-6-11-15-16(14)21(18(23)24-15)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 1n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

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



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

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



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431244
PNG
(CHEMBL2333064)
Show SMILES CCCCCCCCNC(=O)n1cc(F)c(=O)n(C(=O)OC)c1=O
Show InChI InChI=1S/C15H22FN3O5/c1-3-4-5-6-7-8-9-17-13(21)18-10-11(16)12(20)19(14(18)22)15(23)24-2/h10H,3-9H2,1-2H3,(H,17,21)
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n/an/a 4n/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))
BDBM50431255
PNG
(CHEMBL2333053)
Show SMILES CCCCCCNC(=O)n1cc(F)c(=O)n(C(=O)OC)c1=O
Show InChI InChI=1S/C13H18FN3O5/c1-3-4-5-6-7-15-11(19)16-8-9(14)10(18)17(12(16)20)13(21)22-2/h8H,3-7H2,1-2H3,(H,15,19)
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n/an/a 7n/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))
BDBM50431246
PNG
(CHEMBL2333062 | US9428465, 32)
Show SMILES CCCCCCCCNC(=O)n1cc(c(=O)[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C14H20F3N3O3/c1-2-3-4-5-6-7-8-18-12(22)20-9-10(14(15,16)17)11(21)19-13(20)23/h9H,2-8H2,1H3,(H,18,22)(H,19,21,23)
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n/an/a 7n/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))
BDBM50431246
PNG
(CHEMBL2333062 | US9428465, 32)
Show SMILES CCCCCCCCNC(=O)n1cc(c(=O)[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C14H20F3N3O3/c1-2-3-4-5-6-7-8-18-12(22)20-9-10(14(15,16)17)11(21)19-13(20)23/h9H,2-8H2,1H3,(H,18,22)(H,19,21,23)
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n/an/a 7n/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


(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 9n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431271
PNG
(CHEMBL2333033 | US9428465, 4)
Show SMILES CCCCCCNC(=O)n1cc(c(=O)[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C12H16F3N3O3/c1-2-3-4-5-6-16-10(20)18-7-8(12(13,14)15)9(19)17-11(18)21/h7H,2-6H2,1H3,(H,16,20)(H,17,19,21)
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n/an/a 10n/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


(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 10n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367198
PNG
(5-cyano-2-oxo-N-(4- phenylbutyl)-1,3- benzoxazole-...)
Show SMILES O=C(NCCCCc1ccccc1)n1c2cc(ccc2oc1=O)C#N
Show InChI InChI=1S/C19H17N3O3/c20-13-15-9-10-17-16(12-15)22(19(24)25-17)18(23)21-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12H,4-5,8,11H2,(H,21,23)
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n/an/a 11n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

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 11n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431271
PNG
(CHEMBL2333033 | US9428465, 4)
Show SMILES CCCCCCNC(=O)n1cc(c(=O)[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C12H16F3N3O3/c1-2-3-4-5-6-16-10(20)18-7-8(12(13,14)15)9(19)17-11(18)21/h7H,2-6H2,1H3,(H,16,20)(H,17,19,21)
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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 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))
BDBM50431254
PNG
(CHEMBL2333054)
Show SMILES CCCCCCNC(=O)n1cc(F)c(=O)n(C(=O)OCC)c1=O
Show InChI InChI=1S/C14H20FN3O5/c1-3-5-6-7-8-16-12(20)17-9-10(15)11(19)18(13(17)21)14(22)23-4-2/h9H,3-8H2,1-2H3,(H,16,20)
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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 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))
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
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



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Homo sapiens (Human))
BDBM241946
PNG
(US9428465, 24)
Show SMILES CCCCCCNC(=O)n1cc(Br)c(=O)n(C(=O)OCC(C)C)c1=O
Show InChI InChI=1S/C16H24BrN3O5/c1-4-5-6-7-8-18-14(22)19-9-12(17)13(21)20(15(19)23)16(24)25-10-11(2)3/h9,11H,4-8,10H2,1-3H3,(H,18,22)
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n/an/a 14n/an/an/an/a4.5n/a



Fondazione Istituto Italiano Di Technologia

US Patent


Assay Description
A hAC protein preparation (10 μg) was preincubated with inhibitors (final DMSO concentration 1%) in assay buffer (100 mM sodium phosphate, 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))
BDBM50431253
PNG
(CHEMBL2333055)
Show SMILES CCCCCCNC(=O)n1cc(F)c(=O)n(C(=O)OCC(C)C)c1=O
Show InChI InChI=1S/C16H24FN3O5/c1-4-5-6-7-8-18-14(22)19-9-12(17)13(21)20(15(19)23)16(24)25-10-11(2)3/h9,11H,4-8,10H2,1-3H3,(H,18,22)
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n/an/a 16n/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


(Homo sapiens (Human))
BDBM367212
PNG
(2-oxo-N-(4-phenylbutyl)-6- propanoyl-1,3-benzoxazo...)
Show SMILES CCC(=O)c1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C21H22N2O4/c1-2-18(24)16-11-12-17-19(14-16)27-21(26)23(17)20(25)22-13-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,11-12,14H,2,6-7,10,13H2,1H3,(H,22,25)
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n/an/a 16n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431258
PNG
(CHEMBL2333050)
Show SMILES CCCCCCNC(=O)n1cc(F)c(=O)n(CC)c1=O
Show InChI InChI=1S/C13H20FN3O3/c1-3-5-6-7-8-15-12(19)17-9-10(14)11(18)16(4-2)13(17)20/h9H,3-8H2,1-2H3,(H,15,19)
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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 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


(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



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

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



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

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



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431252
PNG
(CHEMBL2333056)
Show SMILES CCCCCCNC(=O)n1cc(F)c(=O)n(C(=O)c2ccccc2)c1=O
Show InChI InChI=1S/C18H20FN3O4/c1-2-3-4-8-11-20-17(25)21-12-14(19)16(24)22(18(21)26)15(23)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,20,25)
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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 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


(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



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431256
PNG
(CHEMBL2333052)
Show SMILES CCCCCCNC(=O)n1cc(F)c(=O)n(C(=O)C(C)C)c1=O
Show InChI InChI=1S/C15H22FN3O4/c1-4-5-6-7-8-17-14(22)18-9-11(16)13(21)19(15(18)23)12(20)10(2)3/h9-10H,4-8H2,1-3H3,(H,17,22)
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n/an/a 21n/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


(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



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

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 22n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

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



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

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 28n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

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


(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



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

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 33n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

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



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367218
PNG
(N-octyl-2-oxo-1,3- benzoxazole-3-carboxamide | US1...)
Show SMILES CCCCCCCCNC(=O)n1c2ccccc2oc1=O
Show InChI InChI=1S/C16H22N2O3/c1-2-3-4-5-6-9-12-17-15(19)18-13-10-7-8-11-14(13)21-16(18)20/h7-8,10-11H,2-6,9,12H2,1H3,(H,17,19)
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n/an/a 34n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Homo sapiens (Human))
BDBM50431262
PNG
(CHEMBL2333042 | US9428465, 5)
Show SMILES CCCCCCNC(=O)n1cc(Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16BrN3O3/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 35n/an/an/an/a4.5n/a



Fondazione Istituto Italiano Di Technologia

US Patent


Assay Description
A hAC protein preparation (10 μg) was preincubated with inhibitors (final DMSO concentration 1%) in assay buffer (100 mM sodium phosphate, 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))
BDBM241944
PNG
(US9428465, 16)
Show SMILES CCCCCCNC(=O)n1cc(C)c(=O)n(CC2CC2)c1=O
Show InChI InChI=1S/C16H25N3O3/c1-3-4-5-6-9-17-15(21)19-10-12(2)14(20)18(16(19)22)11-13-7-8-13/h10,13H,3-9,11H2,1-2H3,(H,17,21)
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n/an/a 40n/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))
BDBM50431248
PNG
(CHEMBL2333060)
Show SMILES CCCCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H20FN3O3/c1-2-3-4-5-6-7-8-15-12(19)17-9-10(14)11(18)16-13(17)20/h9H,2-8H2,1H3,(H,15,19)(H,16,18,20)
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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


(Homo sapiens (Human))
BDBM367224
PNG
(N-[3-(3-fluorophenyl)propyl]- 2-oxo-1,3-benzoxazol...)
Show SMILES Fc1cccc(CCCNC(=O)n2c3ccccc3oc2=O)c1
Show InChI InChI=1S/C17H15FN2O3/c18-13-7-3-5-12(11-13)6-4-10-19-16(21)20-14-8-1-2-9-15(14)23-17(20)22/h1-3,5,7-9,11H,4,6,10H2,(H,19,21)
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n/an/a 49n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM367229
PNG
(N-heptyl-2-oxo-1,3- benzoxazole-3-carboxamide | US...)
Show SMILES CCCCCCCNC(=O)n1c2ccccc2oc1=O
Show InChI InChI=1S/C15H20N2O3/c1-2-3-4-5-8-11-16-14(18)17-12-9-6-7-10-13(12)20-15(17)19/h6-7,9-10H,2-5,8,11H2,1H3,(H,16,18)
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n/an/a 50n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM50431262
PNG
(CHEMBL2333042 | US9428465, 5)
Show SMILES CCCCCCNC(=O)n1cc(Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16BrN3O3/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 51n/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))
BDBM50431262
PNG
(CHEMBL2333042 | US9428465, 5)
Show SMILES CCCCCCNC(=O)n1cc(Br)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16BrN3O3/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 51n/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


(Homo sapiens (Human))
BDBM367193
PNG
(6-methoxy-2-oxo-N-(4- phenyl-butyl)-1,3- benzoxazo...)
Show SMILES COc1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C19H20N2O4/c1-24-15-10-11-16-17(13-15)25-19(23)21(16)18(22)20-12-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,10-11,13H,5-6,9,12H2,1H3,(H,20,22)
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The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

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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PubMed
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
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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US Patent
n/an/a 54n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

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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US Patent
n/an/a 55n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

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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US Patent
n/an/a 56n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

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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US Patent
n/an/a 56n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano di Tecnologia

US Patent


Assay Description
The assay was performed in Optiplate 96-wells black plates, with each reaction well containing a mixture of 25 mM sodium acetate buffer pH 4.5 and a ...


US Patent US10226452 (2019)

More data for this
Ligand-Target Pair
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