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Patent code US9006269

Compile Data Set for Download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM155363
PNG
(US10383871, Example 9 | US10918640, Example 9 | US...)
Show SMILES O=C(Nc1cccnn1)N1CC(C1)Oc1ccc(cn1)-c1cccc(OCCOCc2ccccc2)c1
Show InChI InChI=1S/C28H27N5O4/c34-28(31-26-10-5-13-30-32-26)33-18-25(19-33)37-27-12-11-23(17-29-27)22-8-4-9-24(16-22)36-15-14-35-20-21-6-2-1-3-7-21/h1-13,16-17,25H,14-15,18-20H2,(H,31,32,34)
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n/an/a 3n/an/an/an/a8.225



Vernalis (R&D) Ltd.

US Patent


Assay Description
Human FAAH 1 activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolys...

US Patent US9006269 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80KF
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM155368
PNG
(US10383871, Example 15 | US10918640, Example 15 | ...)
Show SMILES COCCOc1ccc(Cl)c(c1)-c1ccc(OC2CN(C2)C(=O)Nc2cccnn2)nc1
Show InChI InChI=1S/C22H22ClN5O4/c1-30-9-10-31-16-5-6-19(23)18(11-16)15-4-7-21(24-12-15)32-17-13-28(14-17)22(29)26-20-3-2-8-25-27-20/h2-8,11-12,17H,9-10,13-14H2,1H3,(H,26,27,29)
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n/an/a 7n/an/an/an/a8.225



Vernalis (R&D) Ltd.

US Patent


Assay Description
Human FAAH 1 activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolys...

US Patent US9006269 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80KF
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM155359
PNG
(US10383871, Example 5 | US10918640, Example 5 | US...)
Show SMILES COCCOc1cccc(c1)-c1ccc(OC2CN(C2)C(=O)Nc2ccncn2)nc1
Show InChI InChI=1S/C22H23N5O4/c1-29-9-10-30-18-4-2-3-16(11-18)17-5-6-21(24-12-17)31-19-13-27(14-19)22(28)26-20-7-8-23-15-25-20/h2-8,11-12,15,19H,9-10,13-14H2,1H3,(H,23,25,26,28)
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n/an/a 9n/an/an/an/a8.225



Vernalis (R&D) Ltd.

US Patent


Assay Description
Human FAAH 1 activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolys...

US Patent US9006269 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80KF
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM155372
PNG
(US10383871, Example 17 | US10918640, Example 17 | ...)
Show SMILES COc1ccccc1-c1ccc(OC2CN(C2)C(=O)Nc2cccnn2)nc1
Show InChI InChI=1S/C20H19N5O3/c1-27-17-6-3-2-5-16(17)14-8-9-19(21-11-14)28-15-12-25(13-15)20(26)23-18-7-4-10-22-24-18/h2-11,15H,12-13H2,1H3,(H,23,24,26)
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n/an/a 12n/an/an/an/a8.225



Vernalis (R&D) Ltd.

US Patent


Assay Description
Human FAAH 1 activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolys...

US Patent US9006269 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80KF
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM155366
PNG
(US10383871, Example 12 | US10918640, Example 12 | ...)
Show SMILES COc1ccc(OC)c(c1)-c1ccc(OC2CN(C2)C(=O)Nc2cccnn2)nc1
Show InChI InChI=1S/C21H21N5O4/c1-28-15-6-7-18(29-2)17(10-15)14-5-8-20(22-11-14)30-16-12-26(13-16)21(27)24-19-4-3-9-23-25-19/h3-11,16H,12-13H2,1-2H3,(H,24,25,27)
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n/an/a 12n/an/an/an/a8.225



Vernalis (R&D) Ltd.

US Patent


Assay Description
Human FAAH 1 activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolys...

US Patent US9006269 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80KF
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM155370
PNG
(US9006269, 14)
Show SMILES Fc1cccc(I)c1-c1ccc(OC2CN(C2)C(=O)Nc2cccnn2)nc1
Show InChI InChI=1S/C19H15FIN5O2/c20-14-3-1-4-15(21)18(14)12-6-7-17(22-9-12)28-13-10-26(11-13)19(27)24-16-5-2-8-23-25-16/h1-9,13H,10-11H2,(H,24,25,27)
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n/an/a 14n/an/an/an/a8.225



Vernalis (R&D) Ltd.

US Patent


Assay Description
Human FAAH 1 activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolys...

US Patent US9006269 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80KF
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM155373
PNG
(US10383871, Example 18 | US9006269, 18)
Show SMILES Fc1ccccc1-c1ccc(OC2CN(C2)C(=O)Nc2cccnn2)nc1
Show InChI InChI=1S/C19H16FN5O2/c20-16-5-2-1-4-15(16)13-7-8-18(21-10-13)27-14-11-25(12-14)19(26)23-17-6-3-9-22-24-17/h1-10,14H,11-12H2,(H,23,24,26)
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n/an/a 16n/an/an/an/a8.225



Vernalis (R&D) Ltd.

US Patent


Assay Description
Human FAAH 1 activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolys...

US Patent US9006269 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80KF
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM155362
PNG
(US10383871, Example 8 | US10918640, Example 8 | US...)
Show SMILES COCCOc1cccc(c1)-c1ccc(OC2CN(C2)C(=O)Nc2cccnc2)nc1
Show InChI InChI=1S/C23H24N4O4/c1-29-10-11-30-20-6-2-4-17(12-20)18-7-8-22(25-13-18)31-21-15-27(16-21)23(28)26-19-5-3-9-24-14-19/h2-9,12-14,21H,10-11,15-16H2,1H3,(H,26,28)
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n/an/a 18n/an/an/an/a8.225



Vernalis (R&D) Ltd.

US Patent


Assay Description
Human FAAH 1 activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolys...

US Patent US9006269 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80KF
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM155361
PNG
(US10383871, Example 7 | US10918640, Example 7 | US...)
Show SMILES COCCOc1cccc(c1)-c1ccc(OC2CN(C2)C(=O)Nc2cccnn2)nc1
Show InChI InChI=1S/C22H23N5O4/c1-29-10-11-30-18-5-2-4-16(12-18)17-7-8-21(23-13-17)31-19-14-27(15-19)22(28)25-20-6-3-9-24-26-20/h2-9,12-13,19H,10-11,14-15H2,1H3,(H,25,26,28)
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n/an/a 19n/an/an/an/a8.225



Vernalis (R&D) Ltd.

US Patent


Assay Description
Human FAAH 1 activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolys...

US Patent US9006269 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80KF
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM155365
PNG
(US10383871, Example 11 | US10918640, Example 11 | ...)
Show SMILES COCCOc1ccc(OC)c(c1)-c1ccc(OC2CN(C2)C(=O)Nc2cccnn2)nc1
Show InChI InChI=1S/C23H25N5O5/c1-30-10-11-32-17-6-7-20(31-2)19(12-17)16-5-8-22(24-13-16)33-18-14-28(15-18)23(29)26-21-4-3-9-25-27-21/h3-9,12-13,18H,10-11,14-15H2,1-2H3,(H,26,27,29)
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n/an/a 19n/an/an/an/a8.225



Vernalis (R&D) Ltd.

US Patent


Assay Description
Human FAAH 1 activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolys...

US Patent US9006269 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80KF
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM155369
PNG
(US10383871, Example 19 | US10918640, Example 19 | ...)
Show SMILES COc1cccc(c1F)-c1ccc(OC2CN(C2)C(=O)Nc2cccnn2)nc1
Show InChI InChI=1S/C20H18FN5O3/c1-28-16-5-2-4-15(19(16)21)13-7-8-18(22-10-13)29-14-11-26(12-14)20(27)24-17-6-3-9-23-25-17/h2-10,14H,11-12H2,1H3,(H,24,25,27)
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n/an/a 26n/an/an/an/a8.225



Vernalis (R&D) Ltd.

US Patent


Assay Description
Human FAAH 1 activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolys...

US Patent US9006269 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80KF
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM155367
PNG
(US10383871, Example 13 | US10918640, Example 13 | ...)
Show SMILES O=C(Nc1cccnn1)N1CC(C1)Oc1ccc(cn1)-c1ccccc1
Show InChI InChI=1S/C19H17N5O2/c25-19(22-17-7-4-10-21-23-17)24-12-16(13-24)26-18-9-8-15(11-20-18)14-5-2-1-3-6-14/h1-11,16H,12-13H2,(H,22,23,25)
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n/an/a 38n/an/an/an/a8.225



Vernalis (R&D) Ltd.

US Patent


Assay Description
Human FAAH 1 activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolys...

US Patent US9006269 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80KF
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM155371
PNG
(US10383871, Example 16 | US10918640, Example 16 | ...)
Show SMILES Fc1ccccc1-c1ccc(OC2CN(C2)C(=O)Nc2cnccn2)nc1
Show InChI InChI=1S/C19H16FN5O2/c20-16-4-2-1-3-15(16)13-5-6-18(23-9-13)27-14-11-25(12-14)19(26)24-17-10-21-7-8-22-17/h1-10,14H,11-12H2,(H,22,24,26)
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n/an/a 42n/an/an/an/a8.225



Vernalis (R&D) Ltd.

US Patent


Assay Description
Human FAAH 1 activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolys...

US Patent US9006269 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80KF
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM155364
PNG
(US10383871, Example 10 | US10918640, Example 10 | ...)
Show SMILES OCCOc1cccc(c1)-c1ccc(OC2CN(C2)C(=O)Nc2cccnn2)nc1
Show InChI InChI=1S/C21H21N5O4/c27-9-10-29-17-4-1-3-15(11-17)16-6-7-20(22-12-16)30-18-13-26(14-18)21(28)24-19-5-2-8-23-25-19/h1-8,11-12,18,27H,9-10,13-14H2,(H,24,25,28)
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n/an/a 49n/an/an/an/a8.225



Vernalis (R&D) Ltd.

US Patent


Assay Description
Human FAAH 1 activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolys...

US Patent US9006269 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80KF
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM155358
PNG
(US10383871, Example 4 | US10918640, Example 4 | US...)
Show SMILES O=C(Nc1cccnc1)N1CC(C1)Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H19N3O2/c25-21(23-18-7-4-12-22-13-18)24-14-20(15-24)26-19-10-8-17(9-11-19)16-5-2-1-3-6-16/h1-13,20H,14-15H2,(H,23,25)
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n/an/a 67n/an/an/an/a8.225



Vernalis (R&D) Ltd.

US Patent


Assay Description
FAAH activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolysis of th...

US Patent US9006269 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80KF
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))		BDBM155360
PNG
(US10383871, Example 6 | US10918640, Example 6 | US...)
Show SMILES COCCOc1cccc(c1)-c1ccc(OC2CN(C2)C(=O)Nc2cnccn2)nc1
Show InChI InChI=1S/C22H23N5O4/c1-29-9-10-30-18-4-2-3-16(11-18)17-5-6-21(25-12-17)31-19-14-27(15-19)22(28)26-20-13-23-7-8-24-20/h2-8,11-13,19H,9-10,14-15H2,1H3,(H,24,26,28)
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n/an/a 73n/an/an/an/a8.225



Vernalis (R&D) Ltd.

US Patent


Assay Description
Human FAAH 1 activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolys...

US Patent US9006269 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80KF
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM155357
PNG
(US10383871, Example 3 | US10918640, Example 3 | US...)
Show SMILES Fc1ccccc1NC(=O)N1CC(C1)Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H19FN2O2/c23-20-8-4-5-9-21(20)24-22(26)25-14-19(15-25)27-18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,19H,14-15H2,(H,24,26)
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n/an/a 77n/an/an/an/a8.225



Vernalis (R&D) Ltd.

US Patent


Assay Description
FAAH activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolysis of th...

US Patent US9006269 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80KF
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM155355
PNG
(US10383871, Example 1 | US10918640, Example 1 | US...)
Show SMILES O=C(Nc1ccccc1)N1CC(C1)Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H20N2O2/c25-22(23-19-9-5-2-6-10-19)24-15-21(16-24)26-20-13-11-18(12-14-20)17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,23,25)
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n/an/a 135n/an/an/an/a8.225



Vernalis (R&D) Ltd.

US Patent


Assay Description
FAAH activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolysis of th...

US Patent US9006269 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80KF
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))		BDBM155356
PNG
(US10383871, Example 2 | US10918640, Example 2 | US...)
Show SMILES Fc1cccc(NC(=O)N2CC(C2)Oc2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C22H19FN2O2/c23-18-7-4-8-19(13-18)24-22(26)25-14-21(15-25)27-20-11-9-17(10-12-20)16-5-2-1-3-6-16/h1-13,21H,14-15H2,(H,24,26)
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n/an/a 279n/an/an/an/a8.225



Vernalis (R&D) Ltd.

US Patent


Assay Description
FAAH activity was determined by measuring the liberation of the highly fluorescent 7-amino, 4-methyl Coumarin (AMC) generated during hydrolysis of th...

US Patent US9006269 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80KF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%