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Compile Data Set for Download or QSAR

Found 43 hits of ic50 for UniProtKB: P04839   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM42323
PNG
(1-(10H-phenothiazin-2-yl)ethanone | MLS000047624 |...)
Show SMILES CC(=O)c1ccc2Sc3ccccc3Nc2c1
Show InChI InChI=1S/C14H11NOS/c1-9(16)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)17-14/h2-8,15H,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institut...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25719HD
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM65841
PNG
(2-(trifluoromethyl)-10H-phenothiazine | SR-0100044...)
Show SMILES FC(F)(F)c1ccc2Sc3ccccc3Nc2c1
Show InChI InChI=1S/C13H8F3NS/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)18-12/h1-7,17H
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n/an/a 9.00E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institut...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25719HD
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM71623
PNG
(3,5-bis(chloranyl)-N-[(E)-[4-(dimethylamino)phenyl...)
Show SMILES CN(C)c1ccc(CN=Nc2c(Cl)cncc2Cl)cc1
Show InChI InChI=1S/C14H14Cl2N4/c1-20(2)11-5-3-10(4-6-11)7-18-19-14-12(15)8-17-9-13(14)16/h3-6,8-9H,7H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institut...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25719HD
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM67509
PNG
(2,6-dibromo-4-[[(3,5-dichloro-4-pyridinyl)hydrazo]...)
Show SMILES Oc1c(Br)cc(CN=Nc2c(Cl)cncc2Cl)cc1Br
Show InChI InChI=1S/C12H7Br2Cl2N3O/c13-7-1-6(2-8(14)12(7)20)3-18-19-11-9(15)4-17-5-10(11)16/h1-2,4-5,20H,3H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institut...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25719HD
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244067
PNG
(US9428478, TG6-120-4)
Show SMILES CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H23N3O3/c1-15(24)16-2-4-17(5-3-16)21-14-20(26)23-12-10-22(11-13-23)18-6-8-19(25)9-7-18/h2-9,21,25H,10-14H2,1H3
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244061
PNG
(US9428478, TG6-144-2)
Show SMILES CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccc(N)cc2)cc1
Show InChI InChI=1S/C20H24N4O2/c1-15(25)16-2-6-18(7-3-16)22-14-20(26)24-12-10-23(11-13-24)19-8-4-17(21)5-9-19/h2-9,22H,10-14,21H2,1H3
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244081
PNG
(US9428478, TG6-222)
Show SMILES COC(=O)c1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccc(OC)cc1
Show InChI InChI=1S/C22H23N3O4/c1-28-18-6-4-17(5-7-18)24-9-11-25(12-10-24)21(26)20-14-16-13-15(22(27)29-2)3-8-19(16)23-20/h3-8,13-14,23H,9-12H2,1-2H3
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Emory University

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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244069
PNG
(US9428478, TG6-161)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(C)=O
Show InChI InChI=1S/C22H23N3O3/c1-15(26)16-3-8-20-17(13-16)14-21(23-20)22(27)25-11-9-24(10-12-25)18-4-6-19(28-2)7-5-18/h3-8,13-14,23H,9-12H2,1-2H3
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244054
PNG
(US9428478, TG2-150)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C21H25N3O3/c1-16(25)17-3-5-18(6-4-17)22-15-21(26)24-13-11-23(12-14-24)19-7-9-20(27-2)10-8-19/h3-10,22H,11-15H2,1-2H3
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244082
PNG
(US9428478, TG6-223)
Show SMILES CNC(=O)c1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccc(OC)cc1
Show InChI InChI=1S/C22H24N4O3/c1-23-21(27)15-3-8-19-16(13-15)14-20(24-19)22(28)26-11-9-25(10-12-26)17-4-6-18(29-2)7-5-17/h3-8,13-14,24H,9-12H2,1-2H3,(H,23,27)
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244086
PNG
(US9428478, TG6-236)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(O)=O
Show InChI InChI=1S/C21H21N3O4/c1-28-17-5-3-16(4-6-17)23-8-10-24(11-9-23)20(25)19-13-15-12-14(21(26)27)2-7-18(15)22-19/h2-7,12-13,22H,8-11H2,1H3,(H,26,27)
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244057
PNG
(US9428478, TG6-153)
Show SMILES CCOc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C22H27N3O3/c1-3-28-21-10-8-20(9-11-21)24-12-14-25(15-13-24)22(27)16-23-19-6-4-18(5-7-19)17(2)26/h4-11,23H,3,12-16H2,1-2H3
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244076
PNG
(US9428478, TG6-199)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C20H21N3O3/c1-26-17-5-2-15(3-6-17)22-8-10-23(11-9-22)20(25)19-13-14-12-16(24)4-7-18(14)21-19/h2-7,12-13,21,24H,8-11H2,1H3
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244070
PNG
(US9428478, TG6-179-2)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C21H23N3O3/c1-26-17-5-3-16(4-6-17)23-9-11-24(12-10-23)21(25)20-14-15-13-18(27-2)7-8-19(15)22-20/h3-8,13-14,22H,9-12H2,1-2H3
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244065
PNG
(US9428478, TG2-171-1)
Show SMILES CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccccc2O)cc1
Show InChI InChI=1S/C20H23N3O3/c1-15(24)16-6-8-17(9-7-16)21-14-20(26)23-12-10-22(11-13-23)18-4-2-3-5-19(18)25/h2-9,21,25H,10-14H2,1H3
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Emory University

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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244080
PNG
(US9428478, TG6-225)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C20H21N3O2/c1-25-17-8-6-16(7-9-17)22-10-12-23(13-11-22)20(24)19-14-15-4-2-3-5-18(15)21-19/h2-9,14,21H,10-13H2,1H3
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Emory University

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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244058
PNG
(US9428478, TG6-158)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(F)c(F)c1
Show InChI InChI=1S/C19H21F2N3O2/c1-26-16-5-3-15(4-6-16)23-8-10-24(11-9-23)19(25)13-22-14-2-7-17(20)18(21)12-14/h2-7,12,22H,8-11,13H2,1H3
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244055
PNG
(US9428478, TG6-140)
Show SMILES COc1ccc(cc1)N1CCN(CC1C)C(=O)CNc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C22H27N3O3/c1-16-15-24(12-13-25(16)20-8-10-21(28-3)11-9-20)22(27)14-23-19-6-4-18(5-7-19)17(2)26/h4-11,16,23H,12-15H2,1-3H3
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Emory University

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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244077
PNG
(US9428478, TG6-200)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1[nH]c2ccc(F)cc2c1C
Show InChI InChI=1S/C21H22FN3O2/c1-14-18-13-15(22)3-8-19(18)23-20(14)21(26)25-11-9-24(10-12-25)16-4-6-17(27-2)7-5-16/h3-8,13,23H,9-12H2,1-2H3
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244071
PNG
(US9428478, TG6-179-3)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1nc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C19H19FN4O2/c1-26-15-5-3-14(4-6-15)23-8-10-24(11-9-23)19(25)18-21-16-7-2-13(20)12-17(16)22-18/h2-7,12H,8-11H2,1H3,(H,21,22)
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244083
PNG
(US9428478, TG6-227)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(N)=O
Show InChI InChI=1S/C21H22N4O3/c1-28-17-5-3-16(4-6-17)24-8-10-25(11-9-24)21(27)19-13-15-12-14(20(22)26)2-7-18(15)23-19/h2-7,12-13,23H,8-11H2,1H3,(H2,22,26)
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244056
PNG
(US9428478, TG6-149)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(cc1)C(C)C
Show InChI InChI=1S/C22H29N3O2/c1-17(2)18-4-6-19(7-5-18)23-16-22(26)25-14-12-24(13-15-25)20-8-10-21(27-3)11-9-20/h4-11,17,23H,12-16H2,1-3H3
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244072
PNG
(US9428478, TG6-181)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1
Show InChI InChI=1S/C22H25N3O4/c1-27-17-6-4-16(5-7-17)24-8-10-25(11-9-24)22(26)19-12-15-13-20(28-2)21(29-3)14-18(15)23-19/h4-7,12-14,23H,8-11H2,1-3H3
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Emory University

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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244089
PNG
(US9428478, TG6-242)
Show SMILES CCOc1ccc(cc1)N1CCN(CC1)C(=O)c1nc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C20H21FN4O2/c1-2-27-16-6-4-15(5-7-16)24-9-11-25(12-10-24)20(26)19-22-17-8-3-14(21)13-18(17)23-19/h3-8,13H,2,9-12H2,1H3,(H,22,23)
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Emory University

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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244087
PNG
(US9428478, TG6-238)
Show SMILES CCOc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(C)=O
Show InChI InChI=1S/C23H25N3O3/c1-3-29-20-7-5-19(6-8-20)25-10-12-26(13-11-25)23(28)22-15-18-14-17(16(2)27)4-9-21(18)24-22/h4-9,14-15,24H,3,10-13H2,1-2H3
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US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244075
PNG
(US9428478, TG6-190)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1[nH]c2ccc(cc2c1C)C(C)=O
Show InChI InChI=1S/C23H25N3O3/c1-15-20-14-17(16(2)27)4-9-21(20)24-22(15)23(28)26-12-10-25(11-13-26)18-5-7-19(29-3)8-6-18/h4-9,14,24H,10-13H2,1-3H3
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244060
PNG
(US9428478, TG6-143-2)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CN(CC(=O)N1CCN(CC1)c1ccc(OC)cc1)c1ccc(cc1)C(C)C
Show InChI InChI=1S/C35H45N5O4/c1-27(2)28-5-7-31(8-6-28)40(25-34(41)38-21-17-36(18-22-38)29-9-13-32(43-3)14-10-29)26-35(42)39-23-19-37(20-24-39)30-11-15-33(44-4)16-12-30/h5-16,27H,17-26H2,1-4H3
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US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244088
PNG
(US9428478, TG6-239)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cnc2cc(ccc2c1O)C(C)=O
Show InChI InChI=1S/C23H23N3O4/c1-15(27)16-3-8-19-21(13-16)24-14-20(22(19)28)23(29)26-11-9-25(10-12-26)17-4-6-18(30-2)7-5-17/h3-8,13-14H,9-12H2,1-2H3,(H,24,28)
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Emory University

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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244092
PNG
(US9428478, TG6-251-1)
Show SMILES CC(C)Oc1ccc(cc1)N1CCN(CC1)C(=O)c1nc2cc(ccc2[nH]1)C(N)=O
Show InChI InChI=1S/C22H25N5O3/c1-14(2)30-17-6-4-16(5-7-17)26-9-11-27(12-10-26)22(29)21-24-18-8-3-15(20(23)28)13-19(18)25-21/h3-8,13-14H,9-12H2,1-2H3,(H2,23,28)(H,24,25)
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244059
PNG
(US9428478, TG6-167-2)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1cccc(F)c1
Show InChI InChI=1S/C19H22FN3O2/c1-25-18-7-5-17(6-8-18)22-9-11-23(12-10-22)19(24)14-21-16-4-2-3-15(20)13-16/h2-8,13,21H,9-12,14H2,1H3
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244085
PNG
(US9428478, TG6-235)
Show SMILES COC(=O)C1CN(CCN1C(=O)c1cc2cc(F)ccc2n1)c1ccc(OC)cc1
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244084
PNG
(US9428478, TG6-228)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1nc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C20H22N4O3/c1-26-15-5-3-14(4-6-15)23-9-11-24(12-10-23)20(25)19-21-17-8-7-16(27-2)13-18(17)22-19/h3-8,13H,9-12H2,1-2H3,(H,21,22)
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244091
PNG
(US9428478, TG6-251-2)
Show SMILES CC(C)Oc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(C)=O
Show InChI InChI=1S/C24H27N3O3/c1-16(2)30-21-7-5-20(6-8-21)26-10-12-27(13-11-26)24(29)23-15-19-14-18(17(3)28)4-9-22(19)25-23/h4-9,14-16,25H,10-13H2,1-3H3
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244064
PNG
(US9428478, TG6-197)
Show SMILES COc1ccc(cc1OC)N1CCN(CC1)C(=O)CNc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C22H27N3O4/c1-16(26)17-4-6-18(7-5-17)23-15-22(27)25-12-10-24(11-13-25)19-8-9-20(28-2)21(14-19)29-3/h4-9,14,23H,10-13,15H2,1-3H3
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244079
PNG
(US9428478, TG6-205-2)
Show SMILES Oc1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H18F3N3O3/c21-20(22,23)29-16-4-1-14(2-5-16)25-7-9-26(10-8-25)19(28)18-12-13-11-15(27)3-6-17(13)24-18/h1-6,11-12,24,27H,7-10H2
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244073
PNG
(US9428478, TG6-191)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1O
Show InChI InChI=1S/C21H20FN3O3/c1-28-16-5-3-15(4-6-16)24-8-10-25(11-9-24)21(27)18-13-23-19-7-2-14(22)12-17(19)20(18)26/h2-7,12-13H,8-11H2,1H3,(H,23,26)
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244093
PNG
(US9428478, TG6-254-1)
Show SMILES COc1ccc(cc1F)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(N)=O
Show InChI InChI=1S/C21H21FN4O3/c1-29-19-5-3-15(12-16(19)22)25-6-8-26(9-7-25)21(28)18-11-14-10-13(20(23)27)2-4-17(14)24-18/h2-5,10-12,24H,6-9H2,1H3,(H2,23,27)
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244090
PNG
(US9428478, TG6-252)
Show SMILES COc1ccc(cc1F)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(C)=O
Show InChI InChI=1S/C22H22FN3O3/c1-14(27)15-3-5-19-16(11-15)12-20(24-19)22(28)26-9-7-25(8-10-26)17-4-6-21(29-2)18(23)13-17/h3-6,11-13,24H,7-10H2,1-2H3
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244062
PNG
(US9428478, TG6-167-1)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(F)cc1
Show InChI InChI=1S/C19H22FN3O2/c1-25-18-8-6-17(7-9-18)22-10-12-23(13-11-22)19(24)14-21-16-4-2-15(20)3-5-16/h2-9,21H,10-14H2,1H3
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244066
PNG
(US9428478, TG2-181-1)
Show SMILES CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccccc2N)cc1
Show InChI InChI=1S/C20H24N4O2/c1-15(25)16-6-8-17(9-7-16)22-14-20(26)24-12-10-23(11-13-24)19-5-3-2-4-18(19)21/h2-9,22H,10-14,21H2,1H3
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US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244063
PNG
(US9428478, TG6-169)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccccc1F
Show InChI InChI=1S/C19H22FN3O2/c1-25-16-8-6-15(7-9-16)22-10-12-23(13-11-22)19(24)14-21-18-5-3-2-4-17(18)20/h2-9,21H,10-14H2,1H3
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244074
PNG
(US9428478, TG6-179-1)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C20H20FN3O2/c1-26-17-5-3-16(4-6-17)23-8-10-24(11-9-23)20(25)19-13-14-12-15(21)2-7-18(14)22-19/h2-7,12-13,22H,8-11H2,1H3
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(Homo sapiens (Human))
BDBM244094
PNG
(US9428478, TG6-254-2)
Show SMILES CNC(=O)c1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccc(OC)c(F)c1
Show InChI InChI=1S/C22H23FN4O3/c1-24-21(28)14-3-5-18-15(11-14)12-19(25-18)22(29)27-9-7-26(8-10-27)16-4-6-20(30-2)17(23)13-16/h3-6,11-13,25H,7-10H2,1-2H3,(H,24,28)
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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair