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Compile Data Set for Download or QSAR

Found 157 hits with Last Name = 'sasso' and Initial = 'o'   
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
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50153360
PNG
(CHEMBL3774784)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)[C@H](C)C(O)=O |r|
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m0/s1
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n/an/a 0.290n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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n/an/a 1.70n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153356
PNG
(CHEMBL3774686)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C22H27NO4/c1-3-4-5-6-14-23-22(26)27-20-9-7-8-19(15-20)18-12-10-17(11-13-18)16(2)21(24)25/h7-13,15-16H,3-6,14H2,1-2H3,(H,23,26)(H,24,25)
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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 FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153445
PNG
(CHEMBL3775280 | US9630914, Example 15)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)CO
Show InChI InChI=1S/C9H12N2O/c10-9(11)8-3-1-7(2-4-8)5-6-12/h1-4,12H,5-6H2,(H3,10,11)
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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 FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153438
PNG
(CHEMBL3774873 | US9630914, Example 14)
Show SMILES CCCCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C9H12N2O2S/c1-14(12,13)6-7-2-4-8(5-3-7)9(10)11/h2-5H,6H2,1H3,(H3,10,11)
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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 FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153354
PNG
(CHEMBL3775510)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1C(F)(F)F)C(C)C(O)=O
Show InChI InChI=1S/C23H26F3NO4/c1-3-4-5-6-12-27-22(30)31-18-9-7-8-17(13-18)19-11-10-16(15(2)21(28)29)14-20(19)23(24,25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,27,30)(H,28,29)
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n/an/a 5n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
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 |r|
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 |r|
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
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50153352
PNG
(CHEMBL3774941)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1Cl)C(C)C(O)=O
Show InChI InChI=1S/C22H26ClNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 9n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153357
PNG
(CHEMBL3775430)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1[N+]([O-])=O)C(C)C(O)=O
Show InChI InChI=1S/C22H26N2O6/c1-3-4-5-6-12-23-22(27)30-18-9-7-8-17(13-18)19-11-10-16(15(2)21(25)26)14-20(19)24(28)29/h7-11,13-15H,3-6,12H2,1-2H3,(H,23,27)(H,25,26)
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n/an/a 9n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153360
PNG
(CHEMBL3774784)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)[C@H](C)C(O)=O |r|
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153359
PNG
(CHEMBL3774706)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)[C@@H](C)C(O)=O |r|
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m1/s1
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n/an/a 9.90n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
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 |r|
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
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153353
PNG
(CHEMBL3774833)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1C)C(C)C(O)=O
Show InChI InChI=1S/C23H29NO4/c1-4-5-6-7-13-24-23(27)28-20-10-8-9-19(15-20)21-12-11-18(14-16(21)2)17(3)22(25)26/h8-12,14-15,17H,4-7,13H2,1-3H3,(H,24,27)(H,25,26)
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n/an/a 10n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50153354
PNG
(CHEMBL3775510)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1C(F)(F)F)C(C)C(O)=O
Show InChI InChI=1S/C23H26F3NO4/c1-3-4-5-6-12-27-22(30)31-18-9-7-8-17(13-18)19-11-10-16(15(2)21(28)29)14-20(19)23(24,25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,27,30)(H,28,29)
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n/an/a 10n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50153353
PNG
(CHEMBL3774833)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1C)C(C)C(O)=O
Show InChI InChI=1S/C23H29NO4/c1-4-5-6-7-13-24-23(27)28-20-10-8-9-19(15-20)21-12-11-18(14-16(21)2)17(3)22(25)26/h8-12,14-15,17H,4-7,13H2,1-3H3,(H,24,27)(H,25,26)
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n/an/a 11n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153379
PNG
(CHEMBL3775979 | US9630914, Example 13)
Show SMILES CCCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C23H28FNO4/c1-3-4-5-6-7-13-25-23(28)29-19-10-8-9-18(14-19)20-12-11-17(15-21(20)24)16(2)22(26)27/h8-12,14-16H,3-7,13H2,1-2H3,(H,25,28)(H,26,27)
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n/an/a 11n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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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 ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50153441
PNG
(CHEMBL3775653)
Show SMILES CCCCCCNC(=O)Nc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C8H11N3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H3,10,11)
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n/an/a 14n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))		BDBM50234749
PNG
(CHEMBL4100949)
Show SMILES CON1C[C@H](NC(=O)OCCCCC2CCCCC2)C1=O |r|
Show InChI InChI=1S/C15H26N2O4/c1-20-17-11-13(14(17)18)16-15(19)21-10-6-5-9-12-7-3-2-4-8-12/h12-13H,2-11H2,1H3,(H,16,19)/t13-/m0/s1
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n/an/a 16n/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))		BDBM50234742
PNG
(CHEMBL4096232)
Show SMILES COC(=O)c1ccc(ON2[C@@H](C)[C@H](NC(=O)OCCCCC3CCCCC3)C2=O)cc1 |r|
Show InChI InChI=1S/C23H32N2O6/c1-16-20(24-23(28)30-15-7-6-10-17-8-4-3-5-9-17)21(26)25(16)31-19-13-11-18(12-14-19)22(27)29-2/h11-14,16-17,20H,3-10,15H2,1-2H3,(H,24,28)/t16-,20-/m0/s1
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n/an/a 17n/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))		BDBM50234741
PNG
(CHEMBL4084145)
Show SMILES C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C21H29N3O6/c1-15-19(20(25)23(15)30-18-12-10-17(11-13-18)24(27)28)22-21(26)29-14-6-5-9-16-7-3-2-4-8-16/h10-13,15-16,19H,2-9,14H2,1H3,(H,22,26)/t15-,19-/m0/s1
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n/an/a 17n/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
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153366
PNG
(CHEMBL3774467 | US9630914, Example 5)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCC2CCCCC2)c1
Show InChI InChI=1S/C24H28FNO4/c1-16(23(27)28)18-10-11-21(22(25)15-18)19-8-5-9-20(14-19)30-24(29)26-13-12-17-6-3-2-4-7-17/h5,8-11,14-17H,2-4,6-7,12-13H2,1H3,(H,26,29)(H,27,28)
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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 FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50153377
PNG
(CHEMBL3775104 | US9630914, Example 11)
Show SMILES CCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C21H24FNO4/c1-3-4-5-11-23-21(26)27-17-8-6-7-16(12-17)18-10-9-15(13-19(18)22)14(2)20(24)25/h6-10,12-14H,3-5,11H2,1-2H3,(H,23,26)(H,24,25)
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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 ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))		BDBM50234740
PNG
(CHEMBL4073792)
Show SMILES C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccc(C)cc1 |r|
Show InChI InChI=1S/C22H32N2O4/c1-16-11-13-19(14-12-16)28-24-17(2)20(21(24)25)23-22(26)27-15-7-6-10-18-8-4-3-5-9-18/h11-14,17-18,20H,3-10,15H2,1-2H3,(H,23,26)/t17-,20-/m0/s1
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n/an/a 21n/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
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153352
PNG
(CHEMBL3774941)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1Cl)C(C)C(O)=O
Show InChI InChI=1S/C22H26ClNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 23n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))		BDBM50234739
PNG
(CHEMBL4100592)
Show SMILES C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccccc1 |r|
Show InChI InChI=1S/C21H30N2O4/c1-16-19(20(24)23(16)27-18-13-6-3-7-14-18)22-21(25)26-15-9-8-12-17-10-4-2-5-11-17/h3,6-7,13-14,16-17,19H,2,4-5,8-12,15H2,1H3,(H,22,25)/t16-,19-/m0/s1
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n/an/a 23n/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
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153447
PNG
(CHEMBL3774393)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(C)cc1F
Show InChI InChI=1S/C9H13N3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6,10H2,(H3,11,12)
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n/an/a 26n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153373
PNG
(CHEMBL3774805 | US9630914, Example 9)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCCCc2ccccc2)c1
Show InChI InChI=1S/C26H26FNO4/c1-18(25(29)30)20-13-14-23(24(27)17-20)21-11-7-12-22(16-21)32-26(31)28-15-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,11-14,16-18H,5-6,10,15H2,1H3,(H,28,31)(H,29,30)
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n/an/a 27n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Rattus norvegicus (Rat))		BDBM50151057
PNG
(CHEMBL3770726)
Show SMILES O=C(N[C@H]1CNC1=O)OCCCCC1CCCCC1 |r|
Show InChI InChI=1S/C14H24N2O3/c17-13-12(10-15-13)16-14(18)19-9-5-4-8-11-6-2-1-3-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)/t12-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of rat NAAA expressed in HEK cells after 30 mins

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
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50153442
PNG
(CHEMBL3774442 | US9630914, Example 18)
Show SMILES CCCCCCOC(=O)Nc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C8H10N2O2S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10)
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n/an/a 30n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153378
PNG
(CHEMBL3775041 | US9630914, Compound 12)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 31n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))		BDBM50234760
PNG
(CHEMBL4062436)
Show SMILES C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H29F3N2O4/c1-15-19(26-21(29)30-14-6-5-9-16-7-3-2-4-8-16)20(28)27(15)31-18-12-10-17(11-13-18)22(23,24)25/h10-13,15-16,19H,2-9,14H2,1H3,(H,26,29)/t15-,19-/m0/s1
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n/an/a 31n/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
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153355
PNG
(CHEMBL3775676)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1O)C(C)C(O)=O
Show InChI InChI=1S/C22H27NO5/c1-3-4-5-6-12-23-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)24)15(2)21(25)26/h7-11,13-15,24H,3-6,12H2,1-2H3,(H,23,27)(H,25,26)
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n/an/a 35n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))		BDBM50234761
PNG
(CHEMBL4074330)
Show SMILES C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H34N2O4/c1-20-25(28-27(31)32-19-9-8-12-21-10-4-2-5-11-21)26(30)29(20)33-24-17-15-23(16-18-24)22-13-6-3-7-14-22/h3,6-7,13-18,20-21,25H,2,4-5,8-12,19H2,1H3,(H,28,31)/t20-,25-/m0/s1
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n/an/a 39n/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))		BDBM50234743
PNG
(CHEMBL4068961)
Show SMILES C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C27H34N2O5/c1-20-25(28-27(31)32-19-9-8-12-21-10-4-2-5-11-21)26(30)29(20)34-24-17-15-23(16-18-24)33-22-13-6-3-7-14-22/h3,6-7,13-18,20-21,25H,2,4-5,8-12,19H2,1H3,(H,28,31)/t20-,25-/m0/s1
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n/an/a 48n/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))		BDBM50234736
PNG
(CHEMBL4085109)
Show SMILES C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1OCCCS(C)(=O)=O |r|
Show InChI InChI=1S/C19H34N2O6S/c1-15-17(18(22)21(15)27-13-8-14-28(2,24)25)20-19(23)26-12-7-6-11-16-9-4-3-5-10-16/h15-17H,3-14H2,1-2H3,(H,20,23)/t15-,17-/m0/s1
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n/an/a 49n/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
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153358
PNG
(CHEMBL3775528)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1N)C(C)C(O)=O
Show InChI InChI=1S/C22H28N2O4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12,23H2,1-2H3,(H,24,27)(H,25,26)
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n/an/a 49n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50153360
PNG
(CHEMBL3774784)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)[C@H](C)C(O)=O |r|
Show InChI InChI=1S/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX2 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic aci...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153444
PNG
(CHEMBL3775360)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(C)C(=O)OC
Show InChI InChI=1S/C10H11N2O2P/c1-15(13,14)8-2-3-9-7(6-8)4-5-12-10(9)11/h2-6H,1H3,(H2,11,12)(H,13,14)
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n/an/a 52n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50153356
PNG
(CHEMBL3774686)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C22H27NO4/c1-3-4-5-6-14-23-22(26)27-20-9-7-8-19(15-20)18-12-10-17(11-13-18)16(2)21(24)25/h7-13,15-16H,3-6,14H2,1-2H3,(H,23,26)(H,24,25)
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n/an/a 54n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))		BDBM50234763
PNG
(CHEMBL4084489)
Show SMILES CON1C[C@@H](NC(=O)OCCCCC2CCCCC2)C1=O |r|
Show InChI InChI=1S/C15H26N2O4/c1-20-17-11-13(14(17)18)16-15(19)21-10-6-5-9-12-7-3-2-4-8-12/h12-13H,2-11H2,1H3,(H,16,19)/t13-/m1/s1
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n/an/a 56n/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
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153446
PNG
(CHEMBL3775770 | US9630914, Example 16)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(CC(O)=O)cc1F
Show InChI InChI=1S/C10H14N2O2S/c1-15(13,14)7-6-8-2-4-9(5-3-8)10(11)12/h2-5H,6-7H2,1H3,(H3,11,12)
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n/an/a 63n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153440
PNG
(CHEMBL3775475)
Show SMILES CCCCCCNC(=O)Oc1ccc(cc1)-c1ccc(cc1F)C(C)C(O)=O
Show InChI InChI=1S/C9H14NO2P/c1-10(2)8-4-6-9(7-5-8)13(3,11)12/h4-7H,1-3H3,(H,11,12)
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n/an/a 68n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))		BDBM50234764
PNG
(CHEMBL4104985)
Show SMILES CON1[C@@H](C)[C@H](NC(=O)OCCCCC2CCCCC2)C1=O |r|
Show InChI InChI=1S/C16H28N2O4/c1-12-14(15(19)18(12)21-2)17-16(20)22-11-7-6-10-13-8-4-3-5-9-13/h12-14H,3-11H2,1-2H3,(H,17,20)/t12-,14-/m0/s1
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n/an/a 69n/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))		BDBM50151057
PNG
(CHEMBL3770726)
Show SMILES O=C(N[C@H]1CNC1=O)OCCCCC1CCCCC1 |r|
Show InChI InChI=1S/C14H24N2O3/c17-13-12(10-15-13)16-14(18)19-9-5-4-8-11-6-2-1-3-7-11/h11-12H,1-10H2,(H,15,17)(H,16,18)/t12-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NAAA expressed in HEK cells after 30 mins

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))		BDBM50234737
PNG
(CHEMBL4103059)
Show SMILES C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1OCCCC(C)=O |r|
Show InChI InChI=1S/C20H34N2O5/c1-15(23)9-8-14-27-22-16(2)18(19(22)24)21-20(25)26-13-7-6-12-17-10-4-3-5-11-17/h16-18H,3-14H2,1-2H3,(H,21,25)/t16-,18-/m0/s1
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n/an/a 75n/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
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153456
PNG
(CHEMBL3774999)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C20H22FNO4/c1-2-3-4-5-11-22-20(25)26-16-8-6-7-14(12-16)17-10-9-15(19(23)24)13-18(17)21/h6-10,12-13H,2-5,11H2,1H3,(H,22,25)(H,23,24)
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n/an/a 85n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))		BDBM50234735
PNG
(CHEMBL4093943)
Show SMILES COCCCON1[C@@H](C)[C@H](NC(=O)OCCCCC2CCCCC2)C1=O |r|
Show InChI InChI=1S/C19H34N2O5/c1-15-17(18(22)21(15)26-14-8-12-24-2)20-19(23)25-13-7-6-11-16-9-4-3-5-10-16/h15-17H,3-14H2,1-2H3,(H,20,23)/t15-,17-/m0/s1
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n/an/a 88n/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
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM50153372
PNG
(CHEMBL3774586 | US9630914, Example 8)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1cccc(OC(=O)NCCCc2ccccc2)c1
Show InChI InChI=1S/C25H24FNO4/c1-17(24(28)29)19-12-13-22(23(26)16-19)20-10-5-11-21(15-20)31-25(30)27-14-6-9-18-7-3-2-4-8-18/h2-5,7-8,10-13,15-17H,6,9,14H2,1H3,(H,27,30)(H,28,29)
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n/an/a 90n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Sprague-Dawley rat brain homogenates preincubated for 10 mins followed by addition of substrate measured after 30 mins by liqui...

Eur J Med Chem 109: 216-37 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.036
BindingDB Entry DOI: 10.7270/Q21C1ZRJ
More data for this
Ligand-Target Pair
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