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Compile Data Set for Download or QSAR

Found 324 hits Enz. Inhib. hit(s) with Target = 'NADPH oxidase 1'   
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
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300394
PNG
(US10130619, Example 103)
Show SMILES COc1cc(ccc1O[C@@H](C)c1ccccn1)C(=O)Nc1nnc(s1)-c1ccncc1F
Show InChI InChI=1S/C22H18FN5O3S/c1-13(17-5-3-4-9-25-17)31-18-7-6-14(11-19(18)30-2)20(29)26-22-28-27-21(32-22)15-8-10-24-12-16(15)23/h3-13H,1-2H3,(H,26,28,29)/t13-/m0/s1
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13n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300391
PNG
(US10130619, Example 96)
Show SMILES COc1cc(ccc1OCc1ccc(F)cc1)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C22H17FN4O3S/c1-29-19-12-16(4-7-18(19)30-13-14-2-5-17(23)6-3-14)20(28)25-22-27-26-21(31-22)15-8-10-24-11-9-15/h2-12H,13H2,1H3,(H,25,27,28)
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14n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300407
PNG
(US10130619, Example 151)
Show SMILES COc1cc(ccc1OC1CCc2ncccc12)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C23H19N5O3S/c1-30-20-13-15(4-6-19(20)31-18-7-5-17-16(18)3-2-10-25-17)21(29)26-23-28-27-22(32-23)14-8-11-24-12-9-14/h2-4,6,8-13,18H,5,7H2,1H3,(H,26,28,29)
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15n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300361
PNG
() | US10130619, Example 22)
Show SMILES COCCNc1cc(cnc1O[C@@H](C)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C24H24N6O3S/c1-16(17-6-4-3-5-7-17)33-22-20(26-12-13-32-2)14-19(15-27-22)21(31)28-24-30-29-23(34-24)18-8-10-25-11-9-18/h3-11,14-16,26H,12-13H2,1-2H3,(H,28,30,31)/t16-/m0/s1
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18n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM282972
PNG
() | US10130619, Example 1)
Show SMILES CC(Oc1ccc(cc1OCC1CCNCC1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C28H29N5O3S/c1-19(21-5-3-2-4-6-21)36-24-8-7-23(17-25(24)35-18-20-9-13-29-14-10-20)26(34)31-28-33-32-27(37-28)22-11-15-30-16-12-22/h2-8,11-12,15-17,19-20,29H,9-10,13-14,18H2,1H3,(H,31,33,34)
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18n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300372
PNG
(US10130619, Example 52)
Show SMILES C[C@H](Oc1ncc(cc1NCC1CCOCC1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C27H28N6O3S/c1-18(20-5-3-2-4-6-20)36-25-23(29-16-19-9-13-35-14-10-19)15-22(17-30-25)24(34)31-27-33-32-26(37-27)21-7-11-28-12-8-21/h2-8,11-12,15,17-19,29H,9-10,13-14,16H2,1H3,(H,31,33,34)/t18-/m0/s1
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18n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300395
PNG
(US10130619, Example 105)
Show SMILES COc1cc(ccc1O[C@@H](CO)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1F
Show InChI InChI=1S/C23H19FN4O4S/c1-31-19-11-15(7-8-18(19)32-20(13-29)14-5-3-2-4-6-14)21(30)26-23-28-27-22(33-23)16-9-10-25-12-17(16)24/h2-12,20,29H,13H2,1H3,(H,26,28,30)/t20-/m0/s1
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19n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300373
PNG
(US10130619, Example 53)
Show SMILES C[C@H](Oc1ncc(cc1NCC1CCN(C)CC1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C28H31N7O2S/c1-19(21-6-4-3-5-7-21)37-26-24(30-17-20-10-14-35(2)15-11-20)16-23(18-31-26)25(36)32-28-34-33-27(38-28)22-8-12-29-13-9-22/h3-9,12-13,16,18-20,30H,10-11,14-15,17H2,1-2H3,(H,32,34,36)/t19-/m0/s1
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19n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300371
PNG
(US10130619, Example 51)
Show SMILES C[C@H](Oc1ncc(cc1NCCN(C)C)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C25H27N7O2S/c1-17(18-7-5-4-6-8-18)34-23-21(27-13-14-32(2)3)15-20(16-28-23)22(33)29-25-31-30-24(35-25)19-9-11-26-12-10-19/h4-12,15-17,27H,13-14H2,1-3H3,(H,29,31,33)/t17-/m0/s1
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21n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM289784
PNG
() | US10130619, Example 7)
Show SMILES COc1cc(ccc1O[C@@H](CO)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C23H20N4O4S/c1-30-19-13-17(7-8-18(19)31-20(14-28)15-5-3-2-4-6-15)21(29)25-23-27-26-22(32-23)16-9-11-24-12-10-16/h2-13,20,28H,14H2,1H3,(H,25,27,29)/t20-/m0/s1
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22n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300396
PNG
(US10130619, Example 106)
Show SMILES COc1cc(ccc1O[C@@H](CN(C)C)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1F
Show InChI InChI=1S/C25H24FN5O3S/c1-31(2)15-22(16-7-5-4-6-8-16)34-20-10-9-17(13-21(20)33-3)23(32)28-25-30-29-24(35-25)18-11-12-27-14-19(18)26/h4-14,22H,15H2,1-3H3,(H,28,30,32)/t22-/m0/s1
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22n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300411
PNG
(US10130619, Example 158)
Show SMILES COc1cc(ccc1OC1Cc2ccccc2C1)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C24H20N4O3S/c1-30-21-14-18(6-7-20(21)31-19-12-16-4-2-3-5-17(16)13-19)22(29)26-24-28-27-23(32-24)15-8-10-25-11-9-15/h2-11,14,19H,12-13H2,1H3,(H,26,28,29)
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22n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300422
PNG
(US10130619, Example 197)
Show SMILES COc1cc(ccc1O[C@@H](CO)c1ccc(F)cc1)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C23H19FN4O4S/c1-31-19-12-16(4-7-18(19)32-20(13-29)14-2-5-17(24)6-3-14)21(30)26-23-28-27-22(33-23)15-8-10-25-11-9-15/h2-12,20,29H,13H2,1H3,(H,26,28,30)/t20-/m0/s1
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24n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300423
PNG
(US10130619, Example 198)
Show SMILES COc1cc(ccc1O[C@@H](CN(C)C)c1ccc(F)cc1)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C25H24FN5O3S/c1-31(2)15-22(16-4-7-19(26)8-5-16)34-20-9-6-18(14-21(20)33-3)23(32)28-25-30-29-24(35-25)17-10-12-27-13-11-17/h4-14,22H,15H2,1-3H3,(H,28,30,32)/t22-/m0/s1
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25n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300381
PNG
(US10130619, Example 80)
Show SMILES COc1cc(ccc1O[C@@H]1CCc2ccccc12)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C24H20N4O3S/c1-30-21-14-17(7-9-20(21)31-19-8-6-15-4-2-3-5-18(15)19)22(29)26-24-28-27-23(32-24)16-10-12-25-13-11-16/h2-5,7,9-14,19H,6,8H2,1H3,(H,26,28,29)/t19-/m1/s1
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27n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM299743
PNG
() | US10130619, Example 9)
Show SMILES COc1cc(ccc1O[C@@H](CCN1CCCC1)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C28H29N5O3S/c1-35-25-19-22(26(34)30-28-32-31-27(37-28)21-11-14-29-15-12-21)9-10-24(25)36-23(20-7-3-2-4-8-20)13-18-33-16-5-6-17-33/h2-4,7-12,14-15,19,23H,5-6,13,16-18H2,1H3,(H,30,32,34)/t23-/m0/s1
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29n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300374
PNG
(US10130619, Example 63)
Show SMILES C[C@H](Oc1ncc(cc1NCCCN(C)C)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C26H29N7O2S/c1-18(19-8-5-4-6-9-19)35-24-22(28-12-7-15-33(2)3)16-21(17-29-24)23(34)30-26-32-31-25(36-26)20-10-13-27-14-11-20/h4-6,8-11,13-14,16-18,28H,7,12,15H2,1-3H3,(H,30,32,34)/t18-/m0/s1
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31n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300389
PNG
(US10130619, Example 92)
Show SMILES COc1ccc(COc2ccc(cc2OC)C(=O)Nc2nnc(s2)-c2ccncc2)cc1
Show InChI InChI=1S/C23H20N4O4S/c1-29-18-6-3-15(4-7-18)14-31-19-8-5-17(13-20(19)30-2)21(28)25-23-27-26-22(32-23)16-9-11-24-12-10-16/h3-13H,14H2,1-2H3,(H,25,27,28)
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32n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300417
PNG
(US10130619, Example 180)
Show SMILES COc1ccc(CCCOc2ccc(cn2)C(=O)Nc2nnc(s2)-c2ccncc2)cc1
Show InChI InChI=1S/C23H21N5O3S/c1-30-19-7-4-16(5-8-19)3-2-14-31-20-9-6-18(15-25-20)21(29)26-23-28-27-22(32-23)17-10-12-24-13-11-17/h4-13,15H,2-3,14H2,1H3,(H,26,28,29)
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32n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300409
PNG
(US10130619, Example 154)
Show SMILES COc1cc(ccc1OC(C1CC1)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C25H22N4O3S/c1-31-21-15-19(23(30)27-25-29-28-24(33-25)18-11-13-26-14-12-18)9-10-20(21)32-22(17-7-8-17)16-5-3-2-4-6-16/h2-6,9-15,17,22H,7-8H2,1H3,(H,27,29,30)
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33n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300403
PNG
(US10130619, Example 121)
Show SMILES COc1cc(ccc1Cn1ccc2ccccc12)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C24H19N5O2S/c1-31-21-14-18(6-7-19(21)15-29-13-10-16-4-2-3-5-20(16)29)22(30)26-24-28-27-23(32-24)17-8-11-25-12-9-17/h2-14H,15H2,1H3,(H,26,28,30)
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35n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300370
PNG
(US10130619, Example 46)
Show SMILES COc1cc(cnc1O[C@@H](C)c1ccccn1)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C21H18N6O3S/c1-13(16-5-3-4-8-23-16)30-19-17(29-2)11-15(12-24-19)18(28)25-21-27-26-20(31-21)14-6-9-22-10-7-14/h3-13H,1-2H3,(H,25,27,28)/t13-/m0/s1
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35n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300384
PNG
(US10130619, Example 85)
Show SMILES CC(Oc1ccc(cc1OCCN(C)C)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C26H27N5O3S/c1-18(19-7-5-4-6-8-19)34-22-10-9-21(17-23(22)33-16-15-31(2)3)24(32)28-26-30-29-25(35-26)20-11-13-27-14-12-20/h4-14,17-18H,15-16H2,1-3H3,(H,28,30,32)
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37n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300399
PNG
(US10130619, Example 114)
Show SMILES COc1cc(cnc1O[C@@H](CN(C)C)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncn1
Show InChI InChI=1S/C23H23N7O3S/c1-30(2)13-19(15-7-5-4-6-8-15)33-21-18(32-3)11-16(12-25-21)20(31)27-23-29-28-22(34-23)17-9-10-24-14-26-17/h4-12,14,19H,13H2,1-3H3,(H,27,29,31)/t19-/m0/s1
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37n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300418
PNG
(US10130619, Example 182)
Show SMILES Cc1cc(cnc1O[C@@H](CN1CCOCC1)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C26H26N6O3S/c1-18-15-21(23(33)29-26-31-30-25(36-26)20-7-9-27-10-8-20)16-28-24(18)35-22(19-5-3-2-4-6-19)17-32-11-13-34-14-12-32/h2-10,15-16,22H,11-14,17H2,1H3,(H,29,31,33)/t22-/m0/s1
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37n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300382
PNG
(US10130619, Example 82)
Show SMILES COc1cc(ccc1OC1CCCc2ccccc12)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C25H22N4O3S/c1-31-22-15-18(23(30)27-25-29-28-24(33-25)17-11-13-26-14-12-17)9-10-21(22)32-20-8-4-6-16-5-2-3-7-19(16)20/h2-3,5,7,9-15,20H,4,6,8H2,1H3,(H,27,29,30)
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38n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300365
PNG
() | US10130619, Example 37)
Show SMILES C[C@H](Oc1ncc(cc1OCC1CCOCC1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C27H27N5O4S/c1-18(20-5-3-2-4-6-20)36-25-23(35-17-19-9-13-34-14-10-19)15-22(16-29-25)24(33)30-27-32-31-26(37-27)21-7-11-28-12-8-21/h2-8,11-12,15-16,18-19H,9-10,13-14,17H2,1H3,(H,30,32,33)/t18-/m0/s1
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38n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300408
PNG
(US10130619, Example 152)
Show SMILES COc1cc(ccc1OC1COc2ccccc12)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C23H18N4O4S/c1-29-19-12-15(6-7-18(19)31-20-13-30-17-5-3-2-4-16(17)20)21(28)25-23-27-26-22(32-23)14-8-10-24-11-9-14/h2-12,20H,13H2,1H3,(H,25,27,28)
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38n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300364
PNG
() | US10130619, Example 34)
Show SMILES CC(Cc1ccccc1)Oc1ccc(cn1)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C22H19N5O2S/c1-15(13-16-5-3-2-4-6-16)29-19-8-7-18(14-24-19)20(28)25-22-27-26-21(30-22)17-9-11-23-12-10-17/h2-12,14-15H,13H2,1H3,(H,25,27,28)
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45n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300401
PNG
(US10130619, Example 116)
Show SMILES COc1cc(ccc1O[C@@H](C)Cc1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C24H22N4O3S/c1-16(14-17-6-4-3-5-7-17)31-20-9-8-19(15-21(20)30-2)22(29)26-24-28-27-23(32-24)18-10-12-25-13-11-18/h3-13,15-16H,14H2,1-2H3,(H,26,28,29)/t16-/m0/s1
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46n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300424
PNG
(US10130619, Example 199)
Show SMILES COc1cc(ccc1O[C@H](CO)c1ccc(F)cc1)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C23H19FN4O4S/c1-31-19-12-16(4-7-18(19)32-20(13-29)14-2-5-17(24)6-3-14)21(30)26-23-28-27-22(33-23)15-8-10-25-11-9-15/h2-12,20,29H,13H2,1H3,(H,26,28,30)/t20-/m1/s1
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47n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300405
PNG
(US10130619, Example 136)
Show SMILES O=C(Nc1nnc(s1)-c1ccncc1)c1ccc(OC2CCc3ccccc23)nc1
Show InChI InChI=1S/C22H17N5O2S/c28-20(25-22-27-26-21(30-22)15-9-11-23-12-10-15)16-6-8-19(24-13-16)29-18-7-5-14-3-1-2-4-17(14)18/h1-4,6,8-13,18H,5,7H2,(H,25,27,28)
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47n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300359
PNG
() | US10130619, Example 10)
Show SMILES COc1cc(ccc1O[C@@H](CN1CCCC1)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C27H27N5O3S/c1-34-23-17-21(25(33)29-27-31-30-26(36-27)20-11-13-28-14-12-20)9-10-22(23)35-24(18-32-15-5-6-16-32)19-7-3-2-4-8-19/h2-4,7-14,17,24H,5-6,15-16,18H2,1H3,(H,29,31,33)/t24-/m0/s1
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49n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300375
PNG
(US10130619, Example 65)
Show SMILES C[C@H](Oc1ncc(cc1NCCO)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C23H22N6O3S/c1-15(16-5-3-2-4-6-16)32-21-19(25-11-12-30)13-18(14-26-21)20(31)27-23-29-28-22(33-23)17-7-9-24-10-8-17/h2-10,13-15,25,30H,11-12H2,1H3,(H,27,29,31)/t15-/m0/s1
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51n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300390
PNG
(US10130619, Example 93)
Show SMILES COc1cc(ccc1OCc1ccccc1F)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C22H17FN4O3S/c1-29-19-12-15(6-7-18(19)30-13-16-4-2-3-5-17(16)23)20(28)25-22-27-26-21(31-22)14-8-10-24-11-9-14/h2-12H,13H2,1H3,(H,25,27,28)
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52n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300419
PNG
(US10130619, Example 183)
Show SMILES COCC(Oc1ccc(cc1OC)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C24H22N4O4S/c1-30-15-21(16-6-4-3-5-7-16)32-19-9-8-18(14-20(19)31-2)22(29)26-24-28-27-23(33-24)17-10-12-25-13-11-17/h3-14,21H,15H2,1-2H3,(H,26,28,29)
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55n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300421
PNG
(US10130619, Example 187)
Show SMILES FC1(F)CCN(C[C@H](Oc2ccc(cn2)C(=O)Nc2nnc(s2)-c2ccncc2)c2ccccc2)C1
Show InChI InChI=1S/C25H22F2N6O2S/c26-25(27)10-13-33(16-25)15-20(17-4-2-1-3-5-17)35-21-7-6-19(14-29-21)22(34)30-24-32-31-23(36-24)18-8-11-28-12-9-18/h1-9,11-12,14,20H,10,13,15-16H2,(H,30,32,34)/t20-/m0/s1
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55n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300379
PNG
(US10130619, Example 69)
Show SMILES C[C@H](Oc1ncc(cc1N1CCN(C)CC1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C26H27N7O2S/c1-18(19-6-4-3-5-7-19)35-24-22(33-14-12-32(2)13-15-33)16-21(17-28-24)23(34)29-26-31-30-25(36-26)20-8-10-27-11-9-20/h3-11,16-18H,12-15H2,1-2H3,(H,29,31,34)/t18-/m0/s1
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55n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300362
PNG
() | US10130619, Example 24)
Show SMILES CN1CCN(CC1)c1cc(cnc1OCc1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C25H25N7O2S/c1-31-11-13-32(14-12-31)21-15-20(16-27-23(21)34-17-18-5-3-2-4-6-18)22(33)28-25-30-29-24(35-25)19-7-9-26-10-8-19/h2-10,15-16H,11-14,17H2,1H3,(H,28,30,33)
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62n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300363
PNG
() | US10130619, Example 29)
Show SMILES CC(C)(O)[C@H](Oc1ncc(cc1Cl)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C23H20ClN5O3S/c1-23(2,31)18(14-6-4-3-5-7-14)32-20-17(24)12-16(13-26-20)19(30)27-22-29-28-21(33-22)15-8-10-25-11-9-15/h3-13,18,31H,1-2H3,(H,27,29,30)/t18-/m1/s1
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64n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300376
PNG
(US10130619, Example 66)
Show SMILES C[C@H](Oc1ncc(cc1NCc1cn(C)cn1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C26H24N8O2S/c1-17(18-6-4-3-5-7-18)36-24-22(28-14-21-15-34(2)16-30-21)12-20(13-29-24)23(35)31-26-33-32-25(37-26)19-8-10-27-11-9-19/h3-13,15-17,28H,14H2,1-2H3,(H,31,33,35)/t17-/m0/s1
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66n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300404
PNG
(US10130619, Example 134)
Show SMILES CCC(Oc1ccc(cn1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C22H19N5O2S/c1-2-18(15-6-4-3-5-7-15)29-19-9-8-17(14-24-19)20(28)25-22-27-26-21(30-22)16-10-12-23-13-11-16/h3-14,18H,2H2,1H3,(H,25,27,28)
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71n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300378
PNG
(US10130619, Example 68)
Show SMILES C[C@H](Oc1ncc(cc1NCCN1CCOCC1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C27H29N7O3S/c1-19(20-5-3-2-4-6-20)37-25-23(29-11-12-34-13-15-36-16-14-34)17-22(18-30-25)24(35)31-27-33-32-26(38-27)21-7-9-28-10-8-21/h2-10,17-19,29H,11-16H2,1H3,(H,31,33,35)/t19-/m0/s1
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72n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300392
PNG
(US10130619, Example 98)
Show SMILES COc1cc(ccc1OCc1cc(on1)C1CC1)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C22H19N5O4S/c1-29-19-10-15(4-5-17(19)30-12-16-11-18(31-27-16)13-2-3-13)20(28)24-22-26-25-21(32-22)14-6-8-23-9-7-14/h4-11,13H,2-3,12H2,1H3,(H,24,26,28)
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74n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300385
PNG
(US10130619, Example 86)
Show SMILES COCCOc1cc(ccc1OC(C)c1ccccc1)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C25H24N4O4S/c1-17(18-6-4-3-5-7-18)33-21-9-8-20(16-22(21)32-15-14-31-2)23(30)27-25-29-28-24(34-25)19-10-12-26-13-11-19/h3-13,16-17H,14-15H2,1-2H3,(H,27,29,30)
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74n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300377
PNG
(US10130619, Example 67)
Show SMILES C[C@H](Oc1ncc(cc1NC1CCN(C)CC1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C27H29N7O2S/c1-18(19-6-4-3-5-7-19)36-25-23(30-22-10-14-34(2)15-11-22)16-21(17-29-25)24(35)31-27-33-32-26(37-27)20-8-12-28-13-9-20/h3-9,12-13,16-18,22,30H,10-11,14-15H2,1-2H3,(H,31,33,35)/t18-/m0/s1
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75n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300398
PNG
(US10130619, Example 111)
Show SMILES COc1cc(ccc1OCc1ccccc1)C(=O)Nc1nnc(s1)-c1ccncn1
Show InChI InChI=1S/C21H17N5O3S/c1-28-18-11-15(7-8-17(18)29-12-14-5-3-2-4-6-14)19(27)24-21-26-25-20(30-21)16-9-10-22-13-23-16/h2-11,13H,12H2,1H3,(H,24,26,27)
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75n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300369
PNG
(US10130619, Example 45)
Show SMILES Cc1nc(OCc2ccccc2)ccc1C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C21H17N5O2S/c1-14-17(7-8-18(23-14)28-13-15-5-3-2-4-6-15)19(27)24-21-26-25-20(29-21)16-9-11-22-12-10-16/h2-12H,13H2,1H3,(H,24,26,27)
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77n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300388
PNG
(US10130619, Example 91)
Show SMILES COc1cc(ccc1OCc1cc(C)on1)C(=O)Nc1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C20H17N5O4S/c1-12-9-15(25-29-12)11-28-16-4-3-14(10-17(16)27-2)18(26)22-20-24-23-19(30-20)13-5-7-21-8-6-13/h3-10H,11H2,1-2H3,(H,22,24,26)
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78n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM300406
PNG
(US10130619, Example 149)
Show SMILES C[C@H](Nc1ccc(cn1)C(=O)Nc1nnc(s1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C21H18N6OS/c1-14(15-5-3-2-4-6-15)24-18-8-7-17(13-23-18)19(28)25-21-27-26-20(29-21)16-9-11-22-12-10-16/h2-14H,1H3,(H,23,24)(H,25,27,28)/t14-/m0/s1
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US Patent
78n/an/an/an/an/an/an/an/a



GENKYOTEX SUISSE SA

US Patent


Assay Description
All solutions were placed on ice and protected from light. The final concentration in the 1x hNOX1 membrane fluorescent assay buffer was PBS pH7, 6 &...


US Patent US10130619 (2018)


Article DOI: 10.1021/jm049353p
More data for this
Ligand-Target Pair
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