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Compile Data Set for Download or QSAR

Found 101 hits Enz. Inhib. hit(s) with Target = 'N-acylsphingosine-amidohydrolase'   
Target
(Institution)
LigandTarget
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
N-acylethanolamine acid amidase (NAAA)


(Homo sapiens (Human))
BDBM233790
PNG
(US9353075, 47)
Show SMILES CC[C@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1
Show InChI InChI=1/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-/s2
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n/an/a 4n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano Di Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(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



The Regents of the University of California; Fondazione Istituto Italiano Di Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(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



The Regents of the University of California; Fondazione Istituto Italiano Di Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(Homo sapiens (Human))
BDBM233791
PNG
(US9353075, 48)
Show SMILES CC[C@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1/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-/s2
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n/an/a 6n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano Di Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(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



The Regents of the University of California; Fondazione Istituto Italiano Di Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(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



The Regents of the University of California; Fondazione Istituto Italiano Di Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(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)

More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151154
PNG
(CHEMBL3770896)
Show SMILES CCCCc1ccc(COC(=O)N[C@H]2CNC2=O)cc1
Show InChI InChI=1/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-/s2
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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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(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

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


Citation and Details
More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(Homo sapiens (Human))
BDBM50032463
PNG
(CHEMBL3353547 | US9353075, 19)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCC1CCCCC1
Show InChI InChI=1/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+/s2
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n/an/a 8n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano Di Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(Homo sapiens (Human))
BDBM233792
PNG
(US9353075, 49)
Show SMILES CC[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1
Show InChI InChI=1/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+/s2
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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 Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(Homo sapiens (Human))
BDBM50032463
PNG
(CHEMBL3353547 | US9353075, 19)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCC1CCCCC1
Show InChI InChI=1/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+/s2
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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 Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(Homo sapiens (Human))
BDBM233776
PNG
(US9353075, 8)
Show SMILES CC(OC(=O)N[C@@H]1[C@H](C)OC1=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C19H19NO4/c1-12(24-19(22)20-17-13(2)23-18(17)21)14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-13,17H,1-2H3,(H,20,22)/t12?,13-,17+/s2
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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 Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151242
PNG
(CHEMBL3770525)
Show SMILES O=C(N[C@H]1CNC1=O)OCc1ccc(cc1)C1CCCCC1
Show InChI InChI=1/C17H22N2O3/c20-16-15(10-18-16)19-17(21)22-11-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11H2,(H,18,20)(H,19,21)/t15-/s2
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n/an/a 12n/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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(Homo sapiens (Human))
BDBM233798
PNG
(US9353075, 55)
Show SMILES CC(C)[C@H]1OC(=O)[C@@H]1NC(=O)OC(C)(C)CCCCc1ccccc1
Show InChI InChI=1/C20H29NO4/c1-14(2)17-16(18(22)24-17)21-19(23)25-20(3,4)13-9-8-12-15-10-6-5-7-11-15/h5-7,10-11,14,16-17H,8-9,12-13H2,1-4H3,(H,21,23)/t16-,17-/s2
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n/an/a 12n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano Di Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(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 14n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano Di Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(Homo sapiens (Human))
BDBM233783
PNG
(US9353075, 22)
Show SMILES CC(CCCCc1ccccc1)OC(=O)N[C@@H]1[C@H](C)OC1=O
Show InChI InChI=1/C17H23NO4/c1-12(8-6-7-11-14-9-4-3-5-10-14)21-17(20)18-15-13(2)22-16(15)19/h3-5,9-10,12-13,15H,6-8,11H2,1-2H3,(H,18,20)/t12?,13-,15+/s2
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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 Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(Homo sapiens (Human))
BDBM233793
PNG
(US9353075, 50)
Show SMILES CC[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1/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+/s2
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n/an/a 15n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano Di Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(Homo sapiens (Human))
BDBM50439655
PNG
(CHEMBL2419828 | US9353075, 18)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCOCc1ccccc1
Show InChI InChI=1S/C15H19NO5/c1-11-13(14(17)21-11)16-15(18)20-9-5-8-19-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,16,18)/t11-,13+/m0/s1
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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 Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(Homo sapiens (Human))
BDBM233794
PNG
(US9353075, 51)
Show SMILES CC(C)[C@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1
Show InChI InChI=1/C18H25NO4/c1-13(2)16-15(17(20)23-16)19-18(21)22-12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,15-16H,4,7-8,11-12H2,1-2H3,(H,19,21)/t15-,16-/s2
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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 Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(Homo sapiens (Human))
BDBM50439655
PNG
(CHEMBL2419828 | US9353075, 18)
Show SMILES C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCOCc1ccccc1
Show InChI InChI=1S/C15H19NO5/c1-11-13(14(17)21-11)16-15(18)20-9-5-8-19-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,16,18)/t11-,13+/m0/s1
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n/an/a 20n/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)

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=1/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-/s2
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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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(Homo sapiens (Human))
BDBM50151154
PNG
(CHEMBL3770896)
Show SMILES CCCCc1ccc(COC(=O)N[C@H]2CNC2=O)cc1
Show InChI InChI=1/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-/s2
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n/an/a 23n/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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(Homo sapiens (Human))
BDBM233795
PNG
(US9353075, 52)
Show SMILES CC(C)[C@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C20H21NO4/c1-13(2)18-17(19(22)25-18)21-20(23)24-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17-18H,12H2,1-2H3,(H,21,23)/t17-,18-/s2
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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 Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

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=1/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-/s2
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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)

More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151155
PNG
(CHEMBL3769844)
Show SMILES O=C(N[C@H]1CNC1=O)OCCCCC1CCCC1
Show InChI InChI=1/C13H22N2O3/c16-12-11(9-14-12)15-13(17)18-8-4-3-7-10-5-1-2-6-10/h10-11H,1-9H2,(H,14,16)(H,15,17)/t11-/s2
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n/an/a 33n/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)

More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151240
PNG
(CHEMBL3770558)
Show SMILES CCCCCCCCOC(=O)N[C@H]1CNC1=O
Show InChI InChI=1/C12H22N2O3/c1-2-3-4-5-6-7-8-17-12(16)14-10-9-13-11(10)15/h10H,2-9H2,1H3,(H,13,15)(H,14,16)/t10-/s2
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n/an/a 37n/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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(Homo sapiens (Human))
BDBM233797
PNG
(US9353075, 54)
Show SMILES CC(C)[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1/C20H21NO4/c1-13(2)18-17(19(22)25-18)21-20(23)24-12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13,17-18H,12H2,1-2H3,(H,21,23)/t17-,18+/s2
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n/an/a 37n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano Di Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151242
PNG
(CHEMBL3770525)
Show SMILES O=C(N[C@H]1CNC1=O)OCc1ccc(cc1)C1CCCCC1
Show InChI InChI=1/C17H22N2O3/c20-16-15(10-18-16)19-17(21)22-11-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h6-9,13,15H,1-5,10-11H2,(H,18,20)(H,19,21)/t15-/s2
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n/an/a 41n/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)

More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151239
PNG
(CHEMBL3769455)
Show SMILES O=C(N[C@H]1CNC1=O)OCCCC1CCCCC1
Show InChI InChI=1/C13H22N2O3/c16-12-11(9-14-12)15-13(17)18-8-4-7-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,16)(H,15,17)/t11-/s2
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n/an/a 44n/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)

More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151096
PNG
(CHEMBL3769689)
Show SMILES CCCOc1ccc(COC(=O)N[C@H]2CNC2=O)cc1
Show InChI InChI=1/C14H18N2O4/c1-2-7-19-11-5-3-10(4-6-11)9-20-14(18)16-12-8-15-13(12)17/h3-6,12H,2,7-9H2,1H3,(H,15,17)(H,16,18)/t12-/s2
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n/an/a 48n/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)

More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151234
PNG
(CHEMBL3770490)
Show SMILES O=C(N[C@H]1CNC1=O)OCCCCCC1CCCCC1
Show InChI InChI=1/C15H26N2O3/c18-14-13(11-16-14)17-15(19)20-10-6-2-5-9-12-7-3-1-4-8-12/h12-13H,1-11H2,(H,16,18)(H,17,19)/t13-/s2
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n/an/a 49n/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)

More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151237
PNG
(CHEMBL3770240)
Show SMILES CCCc1ccc(COC(=O)N[C@H]2CNC2=O)cc1
Show InChI InChI=1/C14H18N2O3/c1-2-3-10-4-6-11(7-5-10)9-19-14(18)16-12-8-15-13(12)17/h4-7,12H,2-3,8-9H2,1H3,(H,15,17)(H,16,18)/t12-/s2
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n/an/a 52n/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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(Homo sapiens (Human))
BDBM233796
PNG
(US9353075, 53)
Show SMILES CC(C)[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1
Show InChI InChI=1/C18H25NO4/c1-13(2)16-15(17(20)23-16)19-18(21)22-12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,9-10,13,15-16H,4,7-8,11-12H2,1-2H3,(H,19,21)/t15-,16+/s2
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n/an/a 68n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano Di Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151232
PNG
(CHEMBL3769763)
Show SMILES O=C(N[C@H]1CNC1=O)OCCCCC1CCOCC1
Show InChI InChI=1/C13H22N2O4/c16-12-11(9-14-12)15-13(17)19-6-2-1-3-10-4-7-18-8-5-10/h10-11H,1-9H2,(H,14,16)(H,15,17)/t11-/s2
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n/an/a 71n/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)

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=1/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-/s2
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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)

More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151149
PNG
(CHEMBL3769639)
Show SMILES FC(F)(F)c1ccc(CCCCOC(=O)N[C@H]2CNC2=O)cc1
Show InChI InChI=1/C15H17F3N2O3/c16-15(17,18)11-6-4-10(5-7-11)3-1-2-8-23-14(22)20-12-9-19-13(12)21/h4-7,12H,1-3,8-9H2,(H,19,21)(H,20,22)/t12-/s2
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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 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)

More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151220
PNG
(CHEMBL3769678)
Show SMILES FC1(F)CCC(CCCCOC(=O)N[C@H]2CNC2=O)CC1
Show InChI InChI=1/C14H22F2N2O3/c15-14(16)6-4-10(5-7-14)3-1-2-8-21-13(20)18-11-9-17-12(11)19/h10-11H,1-9H2,(H,17,19)(H,18,20)/t11-/s2
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n/an/a 76n/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)

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=1/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-/s2
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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)

More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151127
PNG
(CHEMBL3770640)
Show SMILES CCCCCCCOC(=O)N[C@H]1CNC1=O
Show InChI InChI=1/C11H20N2O3/c1-2-3-4-5-6-7-16-11(15)13-9-8-12-10(9)14/h9H,2-8H2,1H3,(H,12,14)(H,13,15)/t9-/s2
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n/an/a 122n/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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(Homo sapiens (Human))
BDBM50151148
PNG
(CHEMBL3769700)
Show SMILES O=C(N[C@H]1CNC1=O)OCc1ccc2CCCc2c1
Show InChI InChI=1/C14H16N2O3/c17-13-12(7-15-13)16-14(18)19-8-9-4-5-10-2-1-3-11(10)6-9/h4-6,12H,1-3,7-8H2,(H,15,17)(H,16,18)/t12-/s2
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n/an/a 130n/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)

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(Homo sapiens (Human))
BDBM50151152
PNG
(CHEMBL3771196)
Show SMILES O=C(N[C@H]1CNC1=O)OCc1ccc2CCCCc2c1
Show InChI InChI=1/C15H18N2O3/c18-14-13(8-16-14)17-15(19)20-9-10-5-6-11-3-1-2-4-12(11)7-10/h5-7,13H,1-4,8-9H2,(H,16,18)(H,17,19)/t13-/s2
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n/an/a 140n/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)

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=1/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-/s2
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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)

More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151151
PNG
(CHEMBL3770354)
Show SMILES CCc1ccc(CCCCOC(=O)N[C@H]2CNC2=O)cc1
Show InChI InChI=1/C16H22N2O3/c1-2-12-6-8-13(9-7-12)5-3-4-10-21-16(20)18-14-11-17-15(14)19/h6-9,14H,2-5,10-11H2,1H3,(H,17,19)(H,18,20)/t14-/s2
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n/an/a 230n/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)

More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151236
PNG
(CHEMBL3770695)
Show SMILES C[C@@H]1NC(=O)[C@H]1NC(=O)OCCCCC1CCCCC1
Show InChI InChI=1/C15H26N2O3/c1-11-13(14(18)16-11)17-15(19)20-10-6-5-9-12-7-3-2-4-8-12/h11-13H,2-10H2,1H3,(H,16,18)(H,17,19)/t11-,13-/s2
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n/an/a 240n/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)

More data for this
Ligand-Target Pair
N-acylsphingosine-amidohydrolase


(Homo sapiens (Human))
BDBM50151096
PNG
(CHEMBL3769689)
Show SMILES CCCOc1ccc(COC(=O)N[C@H]2CNC2=O)cc1
Show InChI InChI=1/C14H18N2O4/c1-2-7-19-11-5-3-10(4-6-11)9-20-14(18)16-12-8-15-13(12)17/h3-6,12H,2,7-9H2,1H3,(H,15,17)(H,16,18)/t12-/s2
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n/an/a 250n/an/an/an/an/an/a



Italian Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human BRD4 bromodomain2 using H4KAc 5/8/12/16 peptide as substrate incubated overnight by HTRF assay


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

More data for this
Ligand-Target Pair
N-acylethanolamine acid amidase (NAAA)


(Homo sapiens (Human))
BDBM233799
PNG
(US9353075, 56)
Show SMILES CC(C)(C)[C@H]1OC(=O)[C@@H]1NC(=O)OCCCCCc1ccccc1
Show InChI InChI=1/C19H27NO4/c1-19(2,3)16-15(17(21)24-16)20-18(22)23-13-9-5-8-12-14-10-6-4-7-11-14/h4,6-7,10-11,15-16H,5,8-9,12-13H2,1-3H3,(H,20,22)/t15-,16+/s2
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n/an/a 267n/an/an/an/an/an/a



The Regents of the University of California; Fondazione Istituto Italiano Di Technologia; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino “Carlo Bo”

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)

More data for this
Ligand-Target Pair
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