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Patent code US10689357

Compile Data Set for Download or QSAR
Found 43 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447464
PNG
(US10689357, Example 3)
Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)O[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C19H17NO3S/c1-22-17-4-2-3-15(9-17)13-5-7-14(8-6-13)19(21)23-18-10-16(11-18)20-12-24/h2-9,16,18H,10-11H2,1H3/t16-,18+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447477
PNG
(US10689357, Example 15)
Show SMILES COc1ccc(CCCC(=O)N[C@H]2C[C@H](C2)N=C=S)cc1
Show InChI InChI=1S/C16H20N2O2S/c1-20-15-7-5-12(6-8-15)3-2-4-16(19)18-14-9-13(10-14)17-11-21/h5-8,13-14H,2-4,9-10H2,1H3,(H,18,19)/t13-,14+
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n/an/a 55n/an/an/an/an/an/a



NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447491
PNG
(US10689357, Example 28)
Show SMILES COc1ccc(cc1F)-c1ccc(C(=O)O[C@H]2C[C@H](C2)N=C=S)c(F)c1
Show InChI InChI=1S/C19H15F2NO3S/c1-24-18-5-3-12(7-17(18)21)11-2-4-15(16(20)6-11)19(23)25-14-8-13(9-14)22-10-26/h2-7,13-14H,8-9H2,1H3/t13-,14+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447468
PNG
(US10689357, Example 7)
Show SMILES COc1ccc(cc1)-c1ccc(C(=O)N[C@H]2C[C@H](C2)N=C=S)c(F)c1
Show InChI InChI=1S/C19H17FN2O2S/c1-24-16-5-2-12(3-6-16)13-4-7-17(18(20)8-13)19(23)22-15-9-14(10-15)21-11-25/h2-8,14-15H,9-10H2,1H3,(H,22,23)/t14-,15+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447469
PNG
(US10689357, Example 8)
Show SMILES COc1ccc(cc1)-c1ccc(C(=O)O[C@H]2C[C@H](C2)N=C=S)c(F)c1
Show InChI InChI=1S/C19H16FNO3S/c1-23-15-5-2-12(3-6-15)13-4-7-17(18(20)8-13)19(22)24-16-9-14(10-16)21-11-25/h2-8,14,16H,9-10H2,1H3/t14-,16+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447503
PNG
(US10689357, Example 39)
Show SMILES COc1ccc(cc1)-c1ccc(nc1)C(C)O[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C19H20N2O2S/c1-13(23-18-9-16(10-18)21-12-24)19-8-5-15(11-20-19)14-3-6-17(22-2)7-4-14/h3-8,11,13,16,18H,9-10H2,1-2H3/t13?,16-,18+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447493
PNG
(US10689357, Example 30)
Show SMILES COc1ccc(cc1F)-c1ccc(cc1)S(=O)(=O)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C18H17FN2O3S2/c1-24-18-7-4-13(8-17(18)19)12-2-5-16(6-3-12)26(22,23)21-15-9-14(10-15)20-11-25/h2-8,14-15,21H,9-10H2,1H3/t14-,15+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447507
PNG
(US10689357, Example 43)
Show SMILES COc1ccc(cc1F)-c1ccc(CO[C@H]2C[C@H](C2)N=C=S)nc1
Show InChI InChI=1S/C18H17FN2O2S/c1-22-18-5-3-12(6-17(18)19)13-2-4-14(20-9-13)10-23-16-7-15(8-16)21-11-24/h2-6,9,15-16H,7-8,10H2,1H3/t15-,16+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447498
PNG
(US10689357, Example 34)
Show SMILES COc1ccc(nc1)-c1ccc(nc1)C(=O)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C17H16N4O2S/c1-23-14-3-5-15(19-9-14)11-2-4-16(18-8-11)17(22)21-13-6-12(7-13)20-10-24/h2-5,8-9,12-13H,6-7H2,1H3,(H,21,22)/t12-,13+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447490
PNG
(US10689357, Example 27)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)O[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C18H17NO4S2/c1-22-16-6-2-13(3-7-16)14-4-8-18(9-5-14)25(20,21)23-17-10-15(11-17)19-12-24/h2-9,15,17H,10-11H2,1H3/t15-,17+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447488
PNG
(US10689357, Example 25)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C18H18N2O3S2/c1-23-17-6-2-13(3-7-17)14-4-8-18(9-5-14)25(21,22)20-16-10-15(11-16)19-12-24/h2-9,15-16,20H,10-11H2,1H3/t15-,16+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447494
PNG
(US10689357, Example 31)
Show SMILES COc1ccc(cc1F)-c1ccc(cc1)S(=O)(=O)O[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C18H16FNO4S2/c1-23-18-7-4-13(8-17(18)19)12-2-5-16(6-3-12)26(21,22)24-15-9-14(10-15)20-11-25/h2-8,14-15H,9-10H2,1H3/t14-,15+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447483
PNG
(US10689357, Example 21)
Show SMILES COc1ccc(cc1)-c1ccc(nc1)C(=O)O[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C18H16N2O3S/c1-22-15-5-2-12(3-6-15)13-4-7-17(19-10-13)18(21)23-16-8-14(9-16)20-11-24/h2-7,10,14,16H,8-9H2,1H3/t14-,16+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447481
PNG
(US10689357, Example 19)
Show SMILES COc1ccc(cc1F)-c1ccc(nc1)C(=O)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C18H16FN3O2S/c1-24-17-5-3-11(6-15(17)19)12-2-4-16(20-9-12)18(23)22-14-7-13(8-14)21-10-25/h2-6,9,13-14H,7-8H2,1H3,(H,22,23)/t13-,14+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447505
PNG
(US10689357, Example 41)
Show SMILES COc1ccc(cc1)[C@@H]1C[C@@H](C1)C(=O)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C17H20N2O2S/c1-21-16-4-2-11(3-5-16)12-6-13(7-12)17(20)19-15-8-14(9-15)18-10-22/h2-5,12-15H,6-9H2,1H3,(H,19,20)/t12-,13+,14-,15+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447476
PNG
(US10689357, Example 14)
Show SMILES COc1ccc(cc1)C1CC1C(=O)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C16H18N2O2S/c1-20-13-4-2-10(3-5-13)14-8-15(14)16(19)18-12-6-11(7-12)17-9-21/h2-5,11-12,14-15H,6-8H2,1H3,(H,18,19)/t11-,12+,14?,15?
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447506
PNG
(US10689357, Example 42)
Show SMILES COc1ccc(nc1)-c1ccc(CO[C@H]2C[C@H](C2)N=C=S)nc1
Show InChI InChI=1S/C17H17N3O2S/c1-21-15-4-5-17(19-9-15)12-2-3-13(18-8-12)10-22-16-6-14(7-16)20-11-23/h2-5,8-9,14,16H,6-7,10H2,1H3/t14-,16+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447497
PNG
(US10689357, Example 33)
Show SMILES COc1ccc(cc1)-c1ccc(OC(=O)N[C@H]2C[C@H](C2)N=C=S)cc1
Show InChI InChI=1S/C19H18N2O3S/c1-23-17-6-2-13(3-7-17)14-4-8-18(9-5-14)24-19(22)21-16-10-15(11-16)20-12-25/h2-9,15-16H,10-11H2,1H3,(H,21,22)/t15-,16+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447492
PNG
(US10689357, Example 29)
Show SMILES COc1ccc(cc1F)-c1ccc(C(=O)N[C@H]2C[C@H](C2)N=C=S)c(F)c1
Show InChI InChI=1S/C19H16F2N2O2S/c1-25-18-5-3-12(7-17(18)21)11-2-4-15(16(20)6-11)19(24)23-14-8-13(9-14)22-10-26/h2-7,13-14H,8-9H2,1H3,(H,23,24)/t13-,14+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447489
PNG
(US10689357, Example 26)
Show SMILES COc1ccc(cc1)-c1ccc(nc1)S(=O)(=O)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C17H17N3O3S2/c1-23-16-5-2-12(3-6-16)13-4-7-17(18-10-13)25(21,22)20-15-8-14(9-15)19-11-24/h2-7,10,14-15,20H,8-9H2,1H3/t14-,15+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447480
PNG
(US10689357, Example 18)
Show SMILES COc1ccc(cc1)-c1ccc(nc1)C(=O)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C18H17N3O2S/c1-23-16-5-2-12(3-6-16)13-4-7-17(19-10-13)18(22)21-15-8-14(9-15)20-11-24/h2-7,10,14-15H,8-9H2,1H3,(H,21,22)/t14-,15+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447478
PNG
(US10689357, Example 16)
Show SMILES COc1ccc(cc1)-c1cc(on1)C(=O)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C16H15N3O3S/c1-21-13-4-2-10(3-5-13)14-8-15(22-19-14)16(20)18-12-6-11(7-12)17-9-23/h2-5,8,11-12H,6-7H2,1H3,(H,18,20)/t11-,12+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447496
PNG
(US10689357, Example 32)
Show SMILES O=C(CCCCCc1ccccc1)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C17H22N2OS/c20-17(19-16-11-15(12-16)18-13-21)10-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,15-16H,2,5-6,9-12H2,(H,19,20)/t15-,16+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447501
PNG
(US10689357, Example 37)
Show SMILES COc1ccc(cc1)C12CC(C1)(C2)C(=O)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C18H20N2O2S/c1-22-15-4-2-12(3-5-15)17-8-18(9-17,10-17)16(21)20-14-6-13(7-14)19-11-23/h2-5,13-14H,6-10H2,1H3,(H,20,21)/t13-,14+,17?,18?
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447502
PNG
(US10689357, Example 38)
Show SMILES COc1ccc(cc1)-c1cnc(C(=O)N[C@H]2C[C@H](C2)N=C=S)c(c1)N1CCC1
Show InChI InChI=1S/C21H22N4O2S/c1-27-18-5-3-14(4-6-18)15-9-19(25-7-2-8-25)20(22-12-15)21(26)24-17-10-16(11-17)23-13-28/h3-6,9,12,16-17H,2,7-8,10-11H2,1H3,(H,24,26)/t16-,17+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447474
PNG
(US10689357, Example 12)
Show SMILES COc1ccc(CCC(=O)N[C@H]2C[C@H](C2)N=C=S)cc1
Show InChI InChI=1S/C15H18N2O2S/c1-19-14-5-2-11(3-6-14)4-7-15(18)17-13-8-12(9-13)16-10-20/h2-3,5-6,12-13H,4,7-9H2,1H3,(H,17,18)/t12-,13+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447479
PNG
(US10689357, Example 17)
Show SMILES COc1ccc(cc1)N1CCC(CC1)C(=O)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C18H23N3O2S/c1-23-17-4-2-16(3-5-17)21-8-6-13(7-9-21)18(22)20-15-10-14(11-15)19-12-24/h2-5,13-15H,6-11H2,1H3,(H,20,22)/t14-,15+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447482
PNG
(US10689357, Example 20)
Show SMILES COc1cccc(c1)-c1ccc(nc1)C(=O)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C18H17N3O2S/c1-23-16-4-2-3-12(7-16)13-5-6-17(19-10-13)18(22)21-15-8-14(9-15)20-11-24/h2-7,10,14-15H,8-9H2,1H3,(H,21,22)/t14-,15+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447484
PNG
(US10689357, Example 22)
Show SMILES COc1ccc(cc1)-c1cnc(cn1)C(=O)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C17H16N4O2S/c1-23-14-4-2-11(3-5-14)15-8-19-16(9-18-15)17(22)21-13-6-12(7-13)20-10-24/h2-5,8-9,12-13H,6-7H2,1H3,(H,21,22)/t12-,13+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447463
PNG
(US10689357, Example 2)
Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C19H18N2O2S/c1-23-18-4-2-3-15(9-18)13-5-7-14(8-6-13)19(22)21-17-10-16(11-17)20-12-24/h2-9,16-17H,10-11H2,1H3,(H,21,22)/t16-,17+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447500
PNG
(US10689357, Example 36)
Show SMILES COc1ccc(cc1)N1CC(C1)C(=O)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C16H19N3O2S/c1-21-15-4-2-14(3-5-15)19-8-11(9-19)16(20)18-13-6-12(7-13)17-10-22/h2-5,11-13H,6-9H2,1H3,(H,18,20)/t12-,13+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447499
PNG
(US10689357, Example 35)
Show SMILES COc1ccc(cc1)-c1ncc(o1)C(=O)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C16H15N3O3S/c1-21-13-4-2-10(3-5-13)16-17-8-14(22-16)15(20)19-12-6-11(7-12)18-9-23/h2-5,8,11-12H,6-7H2,1H3,(H,19,20)/t11-,12+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447486
PNG
(US10689357, Example 23)
Show SMILES O=C(N[C@H]1C[C@H](C1)N=C=S)c1ccc(cn1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H14N4OS/c19-9-12-1-3-13(4-2-12)14-5-6-17(20-10-14)18(23)22-16-7-15(8-16)21-11-24/h1-6,10,15-16H,7-8H2,(H,22,23)/t15-,16+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447475
PNG
(US10689357, Example 13)
Show SMILES COc1ccc(cc1)C#CC(=O)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C15H14N2O2S/c1-19-14-5-2-11(3-6-14)4-7-15(18)17-13-8-12(9-13)16-10-20/h2-3,5-6,12-13H,8-9H2,1H3,(H,17,18)/t12-,13+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447467
PNG
(US10689357, Example 6)
Show SMILES O=C(N[C@H]1C[C@H](C1)N=C=S)c1ccc(Oc2cccnc2)cc1
Show InChI InChI=1S/C17H15N3O2S/c21-17(20-14-8-13(9-14)19-11-23)12-3-5-15(6-4-12)22-16-2-1-7-18-10-16/h1-7,10,13-14H,8-9H2,(H,20,21)/t13-,14+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447504
PNG
(US10689357, Example 40)
Show SMILES COc1ccc(cc1F)-c1ccc(nc1)C(C)O[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C19H19FN2O2S/c1-12(24-16-8-15(9-16)22-11-25)18-5-3-14(10-21-18)13-4-6-19(23-2)17(20)7-13/h3-7,10,12,15-16H,8-9H2,1-2H3/t12?,15-,16+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447470
PNG
(US10689357, Example 9)
Show SMILES COc1ccc(cc1)-c1ccc(C(=O)N[C@]23C[C@@](C2)(C3)N=C=S)c(F)c1
Show InChI InChI=1S/C20H17FN2O2S/c1-25-15-5-2-13(3-6-15)14-4-7-16(17(21)8-14)18(24)23-20-9-19(10-20,11-20)22-12-26/h2-8H,9-11H2,1H3,(H,23,24)/t19-,20+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447473
PNG
(US10689357, Example 11)
Show SMILES CC[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C20H26N2OS/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)20(23)22-19-11-18(12-19)21-13-24/h7-10,14-15,18-19H,2-6,11-12H2,1H3,(H,22,23)/t14-,15-,18-,19+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447465
PNG
(US10689357, Example 4)
Show SMILES COc1ccc(Oc2ccc(cc2)C(=O)O[C@H]2C[C@H](C2)N=C=S)cc1
Show InChI InChI=1S/C19H17NO4S/c1-22-15-6-8-17(9-7-15)23-16-4-2-13(3-5-16)19(21)24-18-10-14(11-18)20-12-25/h2-9,14,18H,10-11H2,1H3/t14-,18+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447487
PNG
(US10689357, Example 24)
Show SMILES COc1ccc(Nc2ccc(nc2)C(=O)N[C@H]2C[C@H](C2)N=C=S)cc1
Show InChI InChI=1S/C18H18N4O2S/c1-24-16-5-2-12(3-6-16)21-13-4-7-17(19-10-13)18(23)22-15-8-14(9-15)20-11-25/h2-7,10,14-15,21H,8-9H2,1H3,(H,22,23)/t14-,15+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447471
PNG
(US10689357, Example 10)
Show SMILES COc1ccc2cc(ccc2c1)C(=O)N[C@H]1C[C@H](C1)N=C=S
Show InChI InChI=1S/C17H16N2O2S/c1-21-16-5-4-11-6-13(3-2-12(11)7-16)17(20)19-15-8-14(9-15)18-10-22/h2-7,14-15H,8-9H2,1H3,(H,19,20)/t14-,15+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447462
PNG
(US10689357, Example 1)
Show SMILES COc1ccc(\C=C\C(=O)N[C@H]2C[C@H](C2)N=C=S)cc1
Show InChI InChI=1S/C15H16N2O2S/c1-19-14-5-2-11(3-6-14)4-7-15(18)17-13-8-12(9-13)16-10-20/h2-7,12-13H,8-9H2,1H3,(H,17,18)/b7-4+/t12-,13+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
N-acylethanolamine-hydrolyzing acid amidase


(Homo sapiens (Human))
BDBM447466
PNG
(US10689357, Example 5)
Show SMILES O=C(N[C@H]1C[C@H](C1)N=C=S)c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C16H19N3O2S/c20-16(18-14-9-13(10-14)17-11-22)12-1-3-15(4-2-12)19-5-7-21-8-6-19/h1-4,13-14H,5-10H2,(H,18,20)/t13-,14+
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NORTHEASTERN UNIVERSITY

US Patent


Assay Description
In order to have an assay method more conducive to high-throughput screening than those published for measuring the NAE hydrolyzing activity of NAAA,...


US Patent US10689357 (2020)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%