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Compile Data Set for Download or QSAR

Found 596 hits Enz. Inhib. hit(s) with Target = 'Acid ceramidase'   
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



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)


BindingDB Entry DOI: 10.7270/Q2CF9T36
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



University of California

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)


BindingDB Entry DOI: 10.7270/Q23T9KH0
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238556
PNG
(CHEMBL4093029)
Show SMILES Nc1nc2ccccc2n1C(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C18H20N4O/c19-17-21-15-11-4-5-12-16(15)22(17)18(23)20-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12H,6-7,10,13H2,(H2,19,21)(H,20,23)
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n/an/a 0.900n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
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



University of California

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)


BindingDB Entry DOI: 10.7270/Q23T9KH0
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238557
PNG
(CHEMBL4103207)
Show SMILES Cc1nc2ccccc2n1C(=O)NCCCCc1ccccc1
Show InChI InChI=1S/C19H21N3O/c1-15-21-17-12-5-6-13-18(17)22(15)19(23)20-14-8-7-11-16-9-3-2-4-10-16/h2-6,9-10,12-13H,7-8,11,14H2,1H3,(H,20,23)
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n/an/a 1n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238562
PNG
(CHEMBL4084295)
Show SMILES O=C(NCCCCc1ccccc1)n1nnc2ncccc12
Show InChI InChI=1S/C16H17N5O/c22-16(21-14-10-6-12-17-15(14)19-20-21)18-11-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10,12H,4-5,9,11H2,(H,18,22)
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n/an/a 1.30n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238574
PNG
(CHEMBL4092051)
Show SMILES O=C(NCCCCc1ccccc1)n1nnc2ccccc12
Show InChI InChI=1S/C17H18N4O/c22-17(21-16-12-5-4-11-15(16)19-20-21)18-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12H,6-7,10,13H2,(H,18,22)
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n/an/a 2.10n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238573
PNG
(CHEMBL4062592)
Show SMILES CCCCCCNC(=O)n1nnc2ncccc12
Show InChI InChI=1S/C12H17N5O/c1-2-3-4-5-8-14-12(18)17-10-7-6-9-13-11(10)15-16-17/h6-7,9H,2-5,8H2,1H3,(H,14,18)
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n/an/a 2.20n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238569
PNG
(CHEMBL4075447)
Show SMILES O=C(NCCCCc1ccccc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H18N2O3/c22-17-15-11-4-5-12-16(15)18(23)21(17)19(24)20-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12H,6-7,10,13H2,(H,20,24)
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n/an/a 2.40n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238572
PNG
(CHEMBL4065362)
Show SMILES CCCCCCNC(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H20N4O/c1-2-3-4-7-10-16-14(19)18-12-9-6-5-8-11(12)17-13(18)15/h5-6,8-9H,2-4,7,10H2,1H3,(H2,15,17)(H,16,19)
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n/an/a 2.40n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238568
PNG
(CHEMBL4100744)
Show SMILES O=C(NCCCCc1ccccc1)n1cnc2ccccc12
Show InChI InChI=1S/C18H19N3O/c22-18(21-14-20-16-11-4-5-12-17(16)21)19-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,19,22)
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n/an/a 2.5n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
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)


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



University of California

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)


BindingDB Entry DOI: 10.7270/Q23T9KH0
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



University of California

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)


BindingDB Entry DOI: 10.7270/Q23T9KH0
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)


BindingDB Entry DOI: 10.7270/Q2CF9T36
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
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM233790
PNG
(US9353075, 47)
Show SMILES CC[C@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1
Show InChI InChI=1S/C17H23NO4/c1-2-14-15(16(19)22-14)18-17(20)21-12-8-4-7-11-13-9-5-3-6-10-13/h3,5-6,9-10,14-15H,2,4,7-8,11-12H2,1H3,(H,18,20)/t14-,15-/m1/s1
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n/an/a 4n/an/an/an/a4.5n/a



University of California

US Patent


Assay Description
The assay was run in Optiplate 96-wells black plates, in a total reaction volume of 200 μL. NAAA protein preparation (4.0 μg) was pre-incub...


US Patent US9353075 (2016)


BindingDB Entry DOI: 10.7270/Q23N229Q
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238578
PNG
(CHEMBL4071239)
Show SMILES CCCCCCNC(=O)n1nnc2ccccc12
Show InChI InChI=1S/C13H18N4O/c1-2-3-4-7-10-14-13(18)17-12-9-6-5-8-11(12)15-16-17/h5-6,8-9H,2-4,7,10H2,1H3,(H,14,18)
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n/an/a 4.10n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238558
PNG
(CHEMBL4075028)
Show SMILES O=C(NCCCCc1ccccc1)n1ncc2ccccc12
Show InChI InChI=1S/C18H19N3O/c22-18(21-17-12-5-4-11-16(17)14-20-21)19-13-7-6-10-15-8-2-1-3-9-15/h1-5,8-9,11-12,14H,6-7,10,13H2,(H,19,22)
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n/an/a 4.70n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50439649
PNG
(CHEMBL2419811 | US9353075, 7)
Show SMILES CCCCCCC[C@H](C)OC(=O)N[C@@H]1[C@H](C)OC1=O
Show InChI InChI=1S/C14H25NO4/c1-4-5-6-7-8-9-10(2)18-14(17)15-12-11(3)19-13(12)16/h10-12H,4-9H2,1-3H3,(H,15,17)/t10-,11-,12+/m0/s1
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n/an/a 5n/an/an/an/a4.537



University of California

US Patent


Assay Description
NAAA protein preparation (10 ug) was pre-incubated with various concentrations of test compound or vehicle control in 100 mM NaH2PO4, 100 mM Tri Sodi...


US Patent US9353075 (2016)


BindingDB Entry DOI: 10.7270/Q23N229Q
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50439653
PNG
(CHEMBL2419830 | US9353075, 35)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCC1CCCCC1
Show InChI InChI=1S/C16H27NO4/c1-12-14(15(18)21-12)17-16(19)20-11-7-3-6-10-13-8-4-2-5-9-13/h12-14H,2-11H2,1H3,(H,17,19)/t12-,14+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged recombinant human spleen NAAA enzyme expressed in HEK293 cells


J Med Chem 56: 6917-34 (2013)


Article DOI: 10.1021/jm400739u
BindingDB Entry DOI: 10.7270/Q2F47QK0
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50439649
PNG
(CHEMBL2419811 | US9353075, 7)
Show SMILES CCCCCCC[C@H](C)OC(=O)N[C@@H]1[C@H](C)OC1=O
Show InChI InChI=1S/C14H25NO4/c1-4-5-6-7-8-9-10(2)18-14(17)15-12-11(3)19-13(12)16/h10-12H,4-9H2,1-3H3,(H,15,17)/t10-,11-,12+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged recombinant human spleen NAAA enzyme expressed in HEK293 cells


J Med Chem 56: 6917-34 (2013)


Article DOI: 10.1021/jm400739u
BindingDB Entry DOI: 10.7270/Q2F47QK0
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50439653
PNG
(CHEMBL2419830 | US9353075, 35)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCC1CCCCC1
Show InChI InChI=1S/C16H27NO4/c1-12-14(15(18)21-12)17-16(19)20-11-7-3-6-10-13-8-4-2-5-9-13/h12-14H,2-11H2,1H3,(H,17,19)/t12-,14+/m0/s1
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US Patent
n/an/a 5n/an/an/an/a4.537



University of California

US Patent


Assay Description
NAAA protein preparation (10 ug) was pre-incubated with various concentrations of test compound or vehicle control in 100 mM NaH2PO4, 100 mM Tri Sodi...


US Patent US9353075 (2016)


BindingDB Entry DOI: 10.7270/Q23N229Q
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50234744
PNG
(CHEMBL4101070)
Show SMILES C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H32N2O6S/c1-16-20(23-22(26)29-15-7-6-10-17-8-4-3-5-9-17)21(25)24(16)30-18-11-13-19(14-12-18)31(2,27)28/h11-14,16-17,20H,3-10,15H2,1-2H3,(H,23,26)/t16-,20-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human spleen NAAA expressed in HEK293 cells using PAMCA as substrate preincubated for 10 mins followed by substrate additio...


Eur J Med Chem 126: 561-575 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.039
BindingDB Entry DOI: 10.7270/Q25H7JHB
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50234746
PNG
(CHEMBL4093333)
Show SMILES C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C22H32N2O6S/c1-16-20(23-22(26)29-15-9-8-12-17-10-4-3-5-11-17)21(25)24(16)30-18-13-6-7-14-19(18)31(2,27)28/h6-7,13-14,16-17,20H,3-5,8-12,15H2,1-2H3,(H,23,26)/t16-,20-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human spleen NAAA expressed in HEK293 cells using PAMCA as substrate preincubated for 10 mins followed by substrate additio...


Eur J Med Chem 126: 561-575 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.039
BindingDB Entry DOI: 10.7270/Q25H7JHB
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM233791
PNG
(US9353075, 48)
Show SMILES CC[C@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H19NO4/c1-2-16-17(18(21)24-16)20-19(22)23-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16-17H,2,12H2,1H3,(H,20,22)/t16-,17-/m1/s1
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n/an/a 6n/an/an/an/a4.5n/a



University of California

US Patent


Assay Description
The assay was run in Optiplate 96-wells black plates, in a total reaction volume of 200 μL. NAAA protein preparation (4.0 μg) was pre-incub...


US Patent US9353075 (2016)


BindingDB Entry DOI: 10.7270/Q23N229Q
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238563
PNG
(Benzoimidazole-1-Carboxylic Acid Hexylamide | CHEM...)
Show SMILES CCCCCCNC(=O)n1cnc2ccccc12
Show InChI InChI=1S/C14H19N3O/c1-2-3-4-7-10-15-14(18)17-11-16-12-8-5-6-9-13(12)17/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,15,18)
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n/an/a 6.60n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50389023
PNG
(CHEMBL2064166 | US9353075, 6)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1
Show InChI InChI=1S/C16H21NO4/c1-12-14(15(18)21-12)17-16(19)20-11-7-3-6-10-13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,17,19)/t12-,14+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged recombinant human spleen NAAA enzyme expressed in HEK293 cells


J Med Chem 56: 6917-34 (2013)


Article DOI: 10.1021/jm400739u
BindingDB Entry DOI: 10.7270/Q2F47QK0
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238577
PNG
(CHEMBL4096883)
Show SMILES Cc1ccc(CNC(=O)n2c(N)nc3ccccc23)cc1
Show InChI InChI=1S/C16H16N4O/c1-11-6-8-12(9-7-11)10-18-16(21)20-14-5-3-2-4-13(14)19-15(20)17/h2-9H,10H2,1H3,(H2,17,19)(H,18,21)
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n/an/a 7n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
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))
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
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50389023
PNG
(CHEMBL2064166 | US9353075, 6)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1
Show InChI InChI=1S/C16H21NO4/c1-12-14(15(18)21-12)17-16(19)20-11-7-3-6-10-13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,17,19)/t12-,14+/m0/s1
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US Patent
n/an/a 7n/an/an/an/a4.537



University of California

US Patent


Assay Description
NAAA protein preparation (10 ug) was pre-incubated with various concentrations of test compound or vehicle control in 100 mM NaH2PO4, 100 mM Tri Sodi...


US Patent US9353075 (2016)


BindingDB Entry DOI: 10.7270/Q23N229Q
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50439664
PNG
(CHEMBL2419814 | US9353075, 17)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17NO4/c1-12-16(17(20)23-12)19-18(21)22-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,21)/t12-,16+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-6-tagged recombinant human spleen NAAA enzyme expressed in HEK293 cells


J Med Chem 56: 6917-34 (2013)


Article DOI: 10.1021/jm400739u
BindingDB Entry DOI: 10.7270/Q2F47QK0
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))
BDBM50238570
PNG
(CHEMBL4089655)
Show SMILES CCCCCCNC(=O)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H18N2O3/c1-2-3-4-7-10-16-15(20)17-13(18)11-8-5-6-9-12(11)14(17)19/h5-6,8-9H,2-4,7,10H2,1H3,(H,16,20)
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n/an/a 7n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake in rat synaptosomal fraction


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50151154
PNG
(CHEMBL3770896)
Show SMILES CCCCc1ccc(COC(=O)N[C@H]2CNC2=O)cc1
Show InChI InChI=1S/C15H20N2O3/c1-2-3-4-11-5-7-12(8-6-11)10-20-15(19)17-13-9-16-14(13)18/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)(H,17,19)/t13-/m0/s1
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n/an/a 7n/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-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50439664
PNG
(CHEMBL2419814 | US9353075, 17)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H17NO4/c1-12-16(17(20)23-12)19-18(21)22-11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,21)/t12-,16+/m0/s1
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US Patent
n/an/a 7n/an/an/an/a4.537



University of California

US Patent


Assay Description
NAAA protein preparation (10 ug) was pre-incubated with various concentrations of test compound or vehicle control in 100 mM NaH2PO4, 100 mM Tri Sodi...


US Patent US9353075 (2016)


BindingDB Entry DOI: 10.7270/Q23N229Q
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50389023
PNG
(CHEMBL2064166 | US9353075, 6)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1
Show InChI InChI=1S/C16H21NO4/c1-12-14(15(18)21-12)17-16(19)20-11-7-3-6-10-13-8-4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H,17,19)/t12-,14+/m0/s1
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n/an/a 7.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His6-tagged NAAA expressed in HEK293 cells using 10-cis-heptadecenoylethanolamide as substrate after 30 mins by UPLC/...


ACS Med Chem Lett 3: 422-426 (2012)


Article DOI: 10.1021/ml300056y
BindingDB Entry DOI: 10.7270/Q29W0GKS
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50032463
PNG
(CHEMBL3353547 | US9353075, 19)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCC1CCCCC1
Show InChI InChI=1S/C15H25NO4/c1-11-13(14(17)20-11)16-15(18)19-10-6-5-9-12-7-3-2-4-8-12/h11-13H,2-10H2,1H3,(H,16,18)/t11-,13+/m0/s1
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US Patent
n/an/a 8n/an/an/an/a4.5n/a



University of California

US Patent


Assay Description
The assay was run in Optiplate 96-wells black plates, in a total reaction volume of 200 μL. NAAA protein preparation (4.0 μg) was pre-incub...


US Patent US9353075 (2016)


BindingDB Entry DOI: 10.7270/Q23N229Q
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238576
PNG
(CHEMBL4076230)
Show SMILES Cc1cccc(CNC(=O)n2cnc3ccccc23)c1
Show InChI InChI=1S/C16H15N3O/c1-12-5-4-6-13(9-12)10-17-16(20)19-11-18-14-7-2-3-8-15(14)19/h2-9,11H,10H2,1H3,(H,17,20)
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n/an/a 8.30n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238561
PNG
(CHEMBL4101140)
Show SMILES Cc1cccc(CNC(=O)n2c(N)nc3ccccc23)c1
Show InChI InChI=1S/C16H16N4O/c1-11-5-4-6-12(9-11)10-18-16(21)20-14-8-3-2-7-13(14)19-15(20)17/h2-9H,10H2,1H3,(H2,17,19)(H,18,21)
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n/an/a 8.5n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50032463
PNG
(CHEMBL3353547 | US9353075, 19)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCC1CCCCC1
Show InChI InChI=1S/C15H25NO4/c1-11-13(14(17)20-11)16-15(18)19-10-6-5-9-12-7-3-2-4-8-12/h11-13H,2-10H2,1H3,(H,16,18)/t11-,13+/m0/s1
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US Patent
n/an/a 9n/an/an/an/a4.537



University of California

US Patent


Assay Description
NAAA protein preparation (10 ug) was pre-incubated with various concentrations of test compound or vehicle control in 100 mM NaH2PO4, 100 mM Tri Sodi...


US Patent US9353075 (2016)


BindingDB Entry DOI: 10.7270/Q23N229Q
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM233792
PNG
(US9353075, 49)
Show SMILES CC[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1
Show InChI InChI=1S/C17H23NO4/c1-2-14-15(16(19)22-14)18-17(20)21-12-8-4-7-11-13-9-5-3-6-10-13/h3,5-6,9-10,14-15H,2,4,7-8,11-12H2,1H3,(H,18,20)/t14-,15+/m0/s1
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n/an/a 9n/an/an/an/a4.5n/a



University of California

US Patent


Assay Description
The assay was run in Optiplate 96-wells black plates, in a total reaction volume of 200 μL. NAAA protein preparation (4.0 μg) was pre-incub...


US Patent US9353075 (2016)


BindingDB Entry DOI: 10.7270/Q23N229Q
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



University of California

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)


BindingDB Entry DOI: 10.7270/Q23T9KH0
More data for this
Ligand-Target Pair
Acid ceramidase (AC)


(Rattus norvegicus (Rat))
BDBM319796
PNG
(US10174015, Compound 9)
Show SMILES Clc1cccc(CCCCCC(=O)N2CCOC2=O)c1
Show InChI InChI=1S/C15H18ClNO3/c16-13-7-4-6-12(11-13)5-2-1-3-8-14(18)17-9-10-20-15(17)19/h4,6-7,11H,1-3,5,8-10H2
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n/an/a 9n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rat acid ceramidase expressed in HEK293 cells using N-lauroylceramide as substrate after 30 mins by LC-MS analysis


Eur J Med Chem 139: 214-221 (2017)


BindingDB Entry DOI: 10.7270/Q2FR007C
More data for this
Ligand-Target Pair
Acid ceramidase


(Homo sapiens (Human))
BDBM50238565
PNG
(CHEMBL4095461)
Show SMILES CCCCCCNC(=O)n1ncc2ccccc12
Show InChI InChI=1S/C14H19N3O/c1-2-3-4-7-10-15-14(18)17-13-9-6-5-8-12(13)11-16-17/h5-6,8-9,11H,2-4,7,10H2,1H3,(H,15,18)
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Article
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n/an/a 9.90n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His-tagged acid ceramidase variant 1 expressed in HEK293 cells using fluorogenic substrate Rbm-14-12 preincubated for ...


J Med Chem 60: 5800-5815 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00472
BindingDB Entry DOI: 10.7270/Q2SB481G
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50234745
PNG
(CHEMBL4065712)
Show SMILES C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C22H32N2O6S/c1-16-20(23-22(26)29-14-7-6-11-17-9-4-3-5-10-17)21(25)24(16)30-18-12-8-13-19(15-18)31(2,27)28/h8,12-13,15-17,20H,3-7,9-11,14H2,1-2H3,(H,23,26)/t16-,20-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human spleen NAAA expressed in HEK293 cells using PAMCA as substrate preincubated for 10 mins followed by substrate additio...


Eur J Med Chem 126: 561-575 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.039
BindingDB Entry DOI: 10.7270/Q25H7JHB
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



University of California

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)


BindingDB Entry DOI: 10.7270/Q23T9KH0
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
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