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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50010439   
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
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50538919
PNG
(CHEMBL4633233)
Show SMILES COc1ccc(cc1F)-c1ccc(COC2(CN(C2)C#N)C2CC2)c(F)c1
Show InChI InChI=1S/C21H20F2N2O2/c1-26-20-7-4-15(9-19(20)23)14-2-3-16(18(22)8-14)10-27-21(17-5-6-17)11-25(12-21)13-24/h2-4,7-9,17H,5-6,10-12H2,1H3
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n/an/a 0.350n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM393394
PNG
(US9963444, Example 95)
Show SMILES COc1cccc(c1)-c1ccc(COC2(C)CN(C2)C#N)cc1
Show InChI InChI=1S/C19H20N2O2/c1-19(12-21(13-19)14-20)23-11-15-6-8-16(9-7-15)17-4-3-5-18(10-17)22-2/h3-10H,11-13H2,1-2H3
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n/an/a 0.360n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAAH expressed in Escherichia coli using fluorogenic AAMCA as substrate by fluorimetric assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393375
PNG
(3-((4'-Methyl-[1,1'-biphenyl]-4-yl)methoxy)azetidi...)
Show SMILES Cc1ccc(cc1)-c1ccc(COC2CN(C2)C#N)cc1
Show InChI InChI=1S/C18H18N2O/c1-14-2-6-16(7-3-14)17-8-4-15(5-9-17)12-21-18-10-20(11-18)13-19/h2-9,18H,10-12H2,1H3
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n/an/a 0.460n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393377
PNG
(3-((3-Fluoro-3'-methoxy-[1,1'-biphenyl]-4-yl)metho...)
Show SMILES COc1cccc(c1)-c1ccc(COC2CN(C2)C#N)c(F)c1
Show InChI InChI=1S/C18H17FN2O2/c1-22-16-4-2-3-13(7-16)14-5-6-15(18(19)8-14)11-23-17-9-21(10-17)12-20/h2-8,17H,9-11H2,1H3
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n/an/a 0.470n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393376
PNG
(3-((4'-Fluoro-[1,1'-biphenyl]-4-yl)methoxy)azetidi...)
Show SMILES Fc1ccc(cc1)-c1ccc(COC2CN(C2)C#N)cc1
Show InChI InChI=1S/C17H15FN2O/c18-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-21-17-9-20(10-17)12-19/h1-8,17H,9-11H2
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n/an/a 0.680n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393378
PNG
(3-((3'-Methoxy-3-(trifluoromethyl)-[1,1'-biphenyl]...)
Show SMILES COc1cccc(c1)-c1ccc(COC2CN(C2)C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N2O2/c1-25-16-4-2-3-13(7-16)14-5-6-15(18(8-14)19(20,21)22)11-26-17-9-24(10-17)12-23/h2-8,17H,9-11H2,1H3
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n/an/a 0.850n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393368
PNG
(3-((2',3'-Dimethoxy-[1,1'-biphenyl]-4-yl)methoxy)a...)
Show SMILES COc1cccc(-c2ccc(COC3CN(C3)C#N)cc2)c1OC
Show InChI InChI=1S/C19H20N2O3/c1-22-18-5-3-4-17(19(18)23-2)15-8-6-14(7-9-15)12-24-16-10-21(11-16)13-20/h3-9,16H,10-12H2,1-2H3
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n/an/a 0.880n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393366
PNG
(3-((3'-Methoxy-[1,1'-biphenyl]-4-yl)methoxy)azetid...)
Show SMILES COc1cccc(c1)-c1ccc(COC2CN(C2)C#N)cc1
Show InChI InChI=1S/C18H18N2O2/c1-21-17-4-2-3-16(9-17)15-7-5-14(6-8-15)12-22-18-10-20(11-18)13-19/h2-9,18H,10-12H2,1H3
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n/an/a 0.890n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393362
PNG
(US9963444, Example 63)
Show SMILES COc1ccc(cc1)-c1ccc(COC2CN(C2)C#N)cc1
Show InChI InChI=1S/C18H18N2O2/c1-21-17-8-6-16(7-9-17)15-4-2-14(3-5-15)12-22-18-10-20(11-18)13-19/h2-9,18H,10-12H2,1H3
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n/an/a 0.940n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50538909
PNG
(CHEMBL4637701)
Show SMILES Brc1cc(Oc2ccccc2)ccc1COC1CN(C1)C#N
Show InChI InChI=1S/C17H15BrN2O2/c18-17-8-15(22-14-4-2-1-3-5-14)7-6-13(17)11-21-16-9-20(10-16)12-19/h1-8,16H,9-11H2
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n/an/a 1n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50538919
PNG
(CHEMBL4633233)
Show SMILES COc1ccc(cc1F)-c1ccc(COC2(CN(C2)C#N)C2CC2)c(F)c1
Show InChI InChI=1S/C21H20F2N2O2/c1-26-20-7-4-15(9-19(20)23)14-2-3-16(18(22)8-14)10-27-21(17-5-6-17)11-25(12-21)13-24/h2-4,7-9,17H,5-6,10-12H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAAH expressed in Escherichia coli using fluorogenic AAMCA as substrate by fluorimetric assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393380
PNG
(3-((4-Phenoxybenzyl)oxy)azetidine-1-carbonitrile |...)
Show SMILES N#CN1CC(C1)OCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C17H16N2O2/c18-13-19-10-17(11-19)20-12-14-6-8-16(9-7-14)21-15-4-2-1-3-5-15/h1-9,17H,10-12H2
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n/an/a 1.10n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393384
PNG
(US9963444, Example 85)
Show SMILES N#CN1CC(C1)OCc1ccc(cc1)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C24H22N2O2/c25-18-26-14-24(15-26)28-17-20-9-11-21(12-10-20)22-7-4-8-23(13-22)27-16-19-5-2-1-3-6-19/h1-13,24H,14-17H2
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n/an/a 1.40n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50538910
PNG
(CHEMBL4645560)
Show SMILES COc1ccc(cc1F)-c1ccc2CN(Cc2c1)C1CN(C1)C#N
Show InChI InChI=1S/C19H18FN3O/c1-24-19-5-4-14(7-18(19)20)13-2-3-15-8-23(9-16(15)6-13)17-10-22(11-17)12-21/h2-7,17H,8-11H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50538911
PNG
(CHEMBL4635238)
Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)NC1(C)CN(C1)C#N
Show InChI InChI=1S/C19H19N3O2/c1-19(11-22(12-19)13-20)21-18(23)15-8-6-14(7-9-15)16-4-3-5-17(10-16)24-2/h3-10H,11-12H2,1-2H3,(H,21,23)
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n/an/a 1.60n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50538916
PNG
(CHEMBL4646586)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ccc(COC2CN(C2)C#N)cc1
Show InChI InChI=1S/C18H15F3N2O/c19-18(20,21)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-24-17-9-23(10-17)12-22/h1-8,17H,9-11H2
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n/an/a 1.60n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393394
PNG
(US9963444, Example 95)
Show SMILES COc1cccc(c1)-c1ccc(COC2(C)CN(C2)C#N)cc1
Show InChI InChI=1S/C19H20N2O2/c1-19(12-21(13-19)14-20)23-11-15-6-8-16(9-7-15)17-4-3-5-18(10-17)22-2/h3-10H,11-13H2,1-2H3
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n/an/a 1.80n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50538918
PNG
(CHEMBL4638402)
Show SMILES COc1ccc(cc1F)-c1ccc(COC2(CN(C2)C#N)c2cccnc2)c(F)c1
Show InChI InChI=1S/C23H19F2N3O2/c1-29-22-7-6-17(10-21(22)25)16-4-5-18(20(24)9-16)12-30-23(13-28(14-23)15-26)19-3-2-8-27-11-19/h2-11H,12-14H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAAH expressed in Escherichia coli using fluorogenic AAMCA as substrate by fluorimetric assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393391
PNG
(3-((4'-Cyano-5-phenoxy-[1,1'-biphenyl]-2-yl)methox...)
Show SMILES N#CN1CC(C1)OCc1ccc(Oc2ccccc2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H19N3O2/c25-13-18-6-8-19(9-7-18)24-12-22(29-21-4-2-1-3-5-21)11-10-20(24)16-28-23-14-27(15-23)17-26/h1-12,23H,14-16H2
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n/an/a 2.5n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393363
PNG
(3-([1,1'-Biphenyl]-4-ylmethoxy)azetidine-1-carboni...)
Show SMILES N#CN1CC(C1)OCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H16N2O/c18-13-19-10-17(11-19)20-12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17H,10-12H2
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n/an/a 2.80n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50538914
PNG
(CHEMBL4637755)
Show SMILES COc1cccc(c1)-c1ccc(cc1)S(=O)(=O)N1CCC11CN(C1)C#N
Show InChI InChI=1S/C19H19N3O3S/c1-25-17-4-2-3-16(11-17)15-5-7-18(8-6-15)26(23,24)22-10-9-19(22)12-21(13-19)14-20/h2-8,11H,9-10,12-13H2,1H3
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n/an/a 2.80n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393379
PNG
(3-((3,3'-Dimethoxy-[1,1'-biphenyl]-4-yl)methoxy)az...)
Show SMILES COc1cccc(c1)-c1ccc(COC2CN(C2)C#N)c(OC)c1
Show InChI InChI=1S/C19H20N2O3/c1-22-17-5-3-4-14(8-17)15-6-7-16(19(9-15)23-2)12-24-18-10-21(11-18)13-20/h3-9,18H,10-12H2,1-2H3
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n/an/a 2.80n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50538912
PNG
(CHEMBL4643588)
Show SMILES COc1cccc(c1)-c1ccc(cc1)S(=O)(=O)NC1(C)CN(C1)C#N
Show InChI InChI=1S/C18H19N3O3S/c1-18(11-21(12-18)13-19)20-25(22,23)17-8-6-14(7-9-17)15-4-3-5-16(10-15)24-2/h3-10,20H,11-12H2,1-2H3
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n/an/a 3.20n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393385
PNG
(US9963444, Example 86)
Show SMILES N#CN1CC(COCc2ccc(cc2)-c2ccccc2)C1
Show InChI InChI=1S/C18H18N2O/c19-14-20-10-16(11-20)13-21-12-15-6-8-18(9-7-15)17-4-2-1-3-5-17/h1-9,16H,10-13H2
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n/an/a 3.40n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50538918
PNG
(CHEMBL4638402)
Show SMILES COc1ccc(cc1F)-c1ccc(COC2(CN(C2)C#N)c2cccnc2)c(F)c1
Show InChI InChI=1S/C23H19F2N3O2/c1-29-22-7-6-17(10-21(22)25)16-4-5-18(20(24)9-16)12-30-23(13-28(14-23)15-26)19-3-2-8-27-11-19/h2-11H,12-14H2,1H3
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n/an/a 4.60n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393389
PNG
(3-((4'-Methoxy-5-phenoxy-[1,1'-biphenyl]-2-yl)meth...)
Show SMILES COc1ccc(cc1)-c1cc(Oc2ccccc2)ccc1COC1CN(C1)C#N
Show InChI InChI=1S/C24H22N2O3/c1-27-20-10-7-18(8-11-20)24-13-22(29-21-5-3-2-4-6-21)12-9-19(24)16-28-23-14-26(15-23)17-25/h2-13,23H,14-16H2,1H3
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n/an/a 5.70n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393373
PNG
(3-((4-(2-Methoxypyridin-3-yl)benzyl)oxy)azetidine-...)
Show SMILES COc1ncccc1-c1ccc(COC2CN(C2)C#N)cc1
Show InChI InChI=1S/C17H17N3O2/c1-21-17-16(3-2-8-19-17)14-6-4-13(5-7-14)11-22-15-9-20(10-15)12-18/h2-8,15H,9-11H2,1H3
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n/an/a 5.80n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50538922
PNG
(CHEMBL4647961)
Show SMILES C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1c1cccc(c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H32N2O5S/c1-16-20(21(25)24(16)18-12-8-13-19(15-18)30(2,27)28)23-22(26)29-14-7-6-11-17-9-4-3-5-10-17/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 6n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of NAAA (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393397
PNG
(3-((4-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)benzyl)...)
Show SMILES N#CN1CC(C1)(OCc1ccc(cc1)-c1ccc2OCCOc2c1)c1ccccc1
Show InChI InChI=1S/C25H22N2O3/c26-18-27-16-25(17-27,22-4-2-1-3-5-22)30-15-19-6-8-20(9-7-19)21-10-11-23-24(14-21)29-13-12-28-23/h1-11,14H,12-13,15-17H2
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n/an/a 6.10n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50538913
PNG
(CHEMBL4649749)
Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCC11CN(C1)C#N
Show InChI InChI=1S/C20H19N3O2/c1-25-18-4-2-3-17(11-18)15-5-7-16(8-6-15)19(24)23-10-9-20(23)12-22(13-20)14-21/h2-8,11H,9-10,12-13H2,1H3
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n/an/a 6.5n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393392
PNG
(3-((2'-Cyano-5-phenoxy-[1,1'-biphenyl]-2-yl)methox...)
Show SMILES N#CN1CC(C1)OCc1ccc(Oc2ccccc2)cc1-c1ccccc1C#N
Show InChI InChI=1S/C24H19N3O2/c25-13-18-6-4-5-9-23(18)24-12-21(29-20-7-2-1-3-8-20)11-10-19(24)16-28-22-14-27(15-22)17-26/h1-12,22H,14-16H2
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n/an/a 6.60n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393386
PNG
(US9963444, Example 87)
Show SMILES N#CN1CC(C1)OCc1ccc(Oc2ccccc2)cc1-c1ccccc1
Show InChI InChI=1S/C23H20N2O2/c24-17-25-14-22(15-25)26-16-19-11-12-21(27-20-9-5-2-6-10-20)13-23(19)18-7-3-1-4-8-18/h1-13,22H,14-16H2
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n/an/a 8.5n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(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



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of rat NAAA


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393395
PNG
(3-((3'-Methoxy-[1,1'-biphenyl]-4-yl)methoxy)-3-phe...)
Show SMILES COc1cccc(c1)-c1ccc(COC2(CN(C2)C#N)c2ccccc2)cc1
Show InChI InChI=1S/C24H22N2O2/c1-27-23-9-5-6-21(14-23)20-12-10-19(11-13-20)15-28-24(16-26(17-24)18-25)22-7-3-2-4-8-22/h2-14H,15-17H2,1H3
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n/an/a 9.10n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393396
PNG
(3-((4-(Benzo[d][1,3]dioxol-5-yl)benzyl)oxy)-3-phen...)
Show SMILES N#CN1CC(C1)(OCc1ccc(cc1)-c1ccc2OCOc2c1)c1ccccc1
Show InChI InChI=1S/C24H20N2O3/c25-16-26-14-24(15-26,21-4-2-1-3-5-21)29-13-18-6-8-19(9-7-18)20-10-11-22-23(12-20)28-17-27-22/h1-12H,13-15,17H2
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n/an/a 9.20n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50538914
PNG
(CHEMBL4637755)
Show SMILES COc1cccc(c1)-c1ccc(cc1)S(=O)(=O)N1CCC11CN(C1)C#N
Show InChI InChI=1S/C19H19N3O3S/c1-25-17-4-2-3-16(11-17)15-5-7-18(8-6-15)26(23,24)22-10-9-19(22)12-21(13-19)14-20/h2-8,11H,9-10,12-13H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAAH expressed in Escherichia coli using fluorogenic AAMCA as substrate by fluorimetric assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393399
PNG
(3-((3'-Methoxy-[1,1'-biphenyl]-4-yl)(phenyl)methox...)
Show SMILES COc1cccc(c1)-c1ccc(cc1)C(OC1CN(C1)C#N)c1ccccc1
Show InChI InChI=1S/C24H22N2O2/c1-27-22-9-5-8-21(14-22)18-10-12-20(13-11-18)24(19-6-3-2-4-7-19)28-23-15-26(16-23)17-25/h2-14,23-24H,15-16H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393371
PNG
(3-((4-(Pyridin-3-yl)benzyl)oxy)azetidine-1-carboni...)
Show SMILES N#CN1CC(C1)OCc1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C16H15N3O/c17-12-19-9-16(10-19)20-11-13-3-5-14(6-4-13)15-2-1-7-18-8-15/h1-8,16H,9-11H2
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n/an/a 12n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50538912
PNG
(CHEMBL4643588)
Show SMILES COc1cccc(c1)-c1ccc(cc1)S(=O)(=O)NC1(C)CN(C1)C#N
Show InChI InChI=1S/C18H19N3O3S/c1-18(11-21(12-18)13-19)20-25(22,23)17-8-6-14(7-9-17)15-4-3-5-16(10-15)24-2/h3-10,20H,11-12H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAAH expressed in Escherichia coli using fluorogenic AAMCA as substrate by fluorimetric assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393402
PNG
(US9963444, Example 103)
Show SMILES CN(Cc1ccc(cc1)-c1ccccc1)C1CN(C1)C#N
Show InChI InChI=1S/C18H19N3/c1-20(18-12-21(13-18)14-19)11-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,18H,11-13H2,1H3
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n/an/a 21n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393387
PNG
(3-((2'-Methoxy-5-phenoxy-[1,1'-biphenyl]-2-yl)meth...)
Show SMILES COc1ccccc1-c1cc(Oc2ccccc2)ccc1COC1CN(C1)C#N
Show InChI InChI=1S/C24H22N2O3/c1-27-24-10-6-5-9-22(24)23-13-20(29-19-7-3-2-4-8-19)12-11-18(23)16-28-21-14-26(15-21)17-25/h2-13,21H,14-16H2,1H3
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n/an/a 24n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393404
PNG
((R)-3-([1,1'-biphenyl]-4-ylmethoxy)pyrrolidine-1-c...)
Show SMILES N#CN1CC[C@H](C1)OCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C18H18N2O/c19-14-20-11-10-18(12-20)21-13-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18H,10-13H2/t18-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50538915
PNG
(CHEMBL4633126)
Show SMILES N#CN1CC(C1)Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H14N2O/c17-12-18-10-16(11-18)19-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,16H,10-11H2
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n/an/a 29n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50151240
PNG
(CHEMBL3770558)
Show SMILES CCCCCCCCOC(=O)N[C@H]1CNC1=O |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of NAAA (unknown origin)


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50538917
PNG
(CHEMBL4641015)
Show SMILES COc1ccncc1-c1ccc(COC2CN(C2)C#N)cc1
Show InChI InChI=1S/C17H17N3O2/c1-21-17-6-7-19-8-16(17)14-4-2-13(3-5-14)11-22-15-9-20(10-15)12-18/h2-8,15H,9-11H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50095493
PNG
(CHEMBL276169 | N-(1-Cyano-azetidin-3-ylmethyl)-ben...)
Show SMILES O=S(=O)(NCC1CN(C1)C#N)c1ccccc1
Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-10(8-14)6-13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2
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n/an/a 50n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Cathepsin K using Z-Phe-Arg-pNA as substrate preincubated with enzyme for 90 mins followed by substrate addition by f...


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM393395
PNG
(3-((3'-Methoxy-[1,1'-biphenyl]-4-yl)methoxy)-3-phe...)
Show SMILES COc1cccc(c1)-c1ccc(COC2(CN(C2)C#N)c2ccccc2)cc1
Show InChI InChI=1S/C24H22N2O2/c1-27-23-9-5-6-21(14-23)20-12-10-19(11-13-20)15-28-24(16-26(17-24)18-25)22-7-3-2-4-8-22/h2-14H,15-17H2,1H3
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n/an/a 61n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FAAH expressed in Escherichia coli using fluorogenic AAMCA as substrate by fluorimetric assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM393382
PNG
(US9963444, Example 83)
Show SMILES COc1cccc(OC)c1-c1ccc(COC2CN(C2)C#N)cc1
Show InChI InChI=1S/C19H20N2O3/c1-22-17-4-3-5-18(23-2)19(17)15-8-6-14(7-9-15)12-24-16-10-21(11-16)13-20/h3-9,16H,10-12H2,1-2H3
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n/an/a 68n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50538921
PNG
(CHEMBL4643165)
Show SMILES Cn1nccc1-c1ccc(cc1)C(OC1CN(C1)C#N)c1ccccc1
Show InChI InChI=1S/C21H20N4O/c1-24-20(11-12-23-24)16-7-9-18(10-8-16)21(17-5-3-2-4-6-17)26-19-13-25(14-19)15-22/h2-12,19,21H,13-14H2,1H3
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n/an/a 75n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM50538920
PNG
(CHEMBL4644779)
Show SMILES N#CN1CC(C1)OC(c1ccccc1)c1cc(cc(c1)-c1ccon1)-c1ccon1
Show InChI InChI=1S/C23H18N4O3/c24-15-27-13-20(14-27)30-23(16-4-2-1-3-5-16)19-11-17(21-6-8-28-25-21)10-18(12-19)22-7-9-29-26-22/h1-12,20,23H,13-14H2
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n/an/a 91n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of activated human NAAA using fluorogenic PAMCA and N-4-methylcoumarin as substrate incubated for 90 mins by fluorescence based assay


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115195
BindingDB Entry DOI: 10.7270/Q2K35Z63
More data for this
Ligand-Target Pair
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