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Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'miyabe' and Initial = 'cy'   
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
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))		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
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))		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))		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))		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))		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))		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
Monoglyceride lipase


(Homo sapiens (Human))		BDBM50520895
PNG
(CHEMBL4472033)
Show SMILES O=C(Oc1cc(ccn1)C#N)N1CCC(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H23N3O2/c26-18-19-11-14-27-23(17-19)30-25(29)28-15-12-22(13-16-28)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-11,14,17,22,24H,12-13,15-16H2
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n/an/a 3n/an/an/an/an/an/a



MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged MGL expressed in Escherichia coli BL21(DE3) cells using AHMMCE as substrate preincubated for 15 mins foll...

Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
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
Monoglyceride lipase


(Homo sapiens (Human))		BDBM50520896
PNG
(CHEMBL4463729)
Show SMILES O=C(Oc1cccc(n1)C#N)N1CCC(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H23N3O2/c26-18-22-12-7-13-23(27-22)30-25(29)28-16-14-21(15-17-28)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,21,24H,14-17H2
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n/an/a 8.5n/an/an/an/an/an/a



MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged MGL expressed in Escherichia coli BL21(DE3) cells using AHMMCE as substrate preincubated for 15 mins foll...

Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
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
Monoglyceride lipase


(Homo sapiens (Human))		BDBM50520885
PNG
(CHEMBL4521157)
Show SMILES O=C(Oc1cccc(c1)C#N)N1CCC(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H24N2O2/c27-19-20-8-7-13-24(18-20)30-26(29)28-16-14-23(15-17-28)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18,23,25H,14-17H2
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n/an/a 8.90n/an/an/an/an/an/a



MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged MGL expressed in Escherichia coli BL21(DE3) cells using AHMMCE as substrate preincubated for 15 mins foll...

Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
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
Monoglyceride lipase


(Homo sapiens (Human))		BDBM50520898
PNG
(CHEMBL4435037)
Show SMILES O=C(Oc1cccc(c1)C#N)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H23N3O2/c26-19-20-8-7-13-23(18-20)30-25(29)28-16-14-27(15-17-28)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18,24H,14-17H2
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n/an/a 11n/an/an/an/an/an/a



MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged MGL expressed in Escherichia coli BL21(DE3) cells using AHMMCE as substrate preincubated for 15 mins foll...

Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
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
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
Monoglyceride lipase


(Homo sapiens (Human))		BDBM50520890
PNG
(CHEMBL4445089)
Show SMILES O=C(Oc1cccc(c1)C#N)N1CCN(CC1)C1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C25H21N3O2/c26-17-18-6-5-7-19(16-18)30-25(29)28-14-12-27(13-15-28)24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-11,16,24H,12-15H2
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MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged MGL expressed in Escherichia coli BL21(DE3) cells using AHMMCE as substrate preincubated for 15 mins foll...

Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
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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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
Monoglyceride lipase


(Rattus norvegicus (Rat))		BDBM50520895
PNG
(CHEMBL4472033)
Show SMILES O=C(Oc1cc(ccn1)C#N)N1CCC(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H23N3O2/c26-18-19-11-14-27-23(17-19)30-25(29)28-15-12-22(13-16-28)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-11,14,17,22,24H,12-13,15-16H2
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MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of purified rat MGL using AHMMCE as fluorogenic substrate preincubated for 15 mins followed by substrate addition measured at 15 mins inte...

Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
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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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
Monoglyceride lipase


(Homo sapiens (Human))		BDBM50520894
PNG
(CHEMBL4540953)
Show SMILES Oc1cc(OC(=O)N2CCC(CC2)C(c2ccccc2)c2ccccc2)cc(c1)C#N
Show InChI InChI=1S/C26H24N2O3/c27-18-19-15-23(29)17-24(16-19)31-26(30)28-13-11-22(12-14-28)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-10,15-17,22,25,29H,11-14H2
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MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged MGL expressed in Escherichia coli BL21(DE3) cells using AHMMCE as substrate preincubated for 15 mins foll...

Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))		BDBM50520887
PNG
(CHEMBL4565696)
Show SMILES O=C(Oc1cccc(c1)C#N)N1CCC(CC1)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H24N2O3/c27-19-20-8-7-13-24(18-20)31-26(29)28-16-14-23(15-17-28)30-25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18,23,25H,14-17H2
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MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged MGL expressed in Escherichia coli BL21(DE3) cells using AHMMCE as substrate preincubated for 15 mins foll...

Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
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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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
Monoglyceride lipase


(Homo sapiens (Human))		BDBM50520892
PNG
(CHEMBL4548730)
Show SMILES Fc1ccc(cc1OC(=O)N1CCC(CC1)C(c1ccccc1)c1ccccc1)C#N
Show InChI InChI=1S/C26H23FN2O2/c27-23-12-11-19(18-28)17-24(23)31-26(30)29-15-13-22(14-16-29)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,17,22,25H,13-16H2
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MAK Scientific LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His6-tagged MGL expressed in Escherichia coli BL21(DE3) cells using AHMMCE as substrate preincubated for 15 mins foll...

Bioorg Med Chem 27: 55-64 (2019)


Article DOI: 10.1016/j.bmc.2018.11.003
BindingDB Entry DOI: 10.7270/Q2XD153X
More data for this
Ligand-Target Pair
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