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Compile Data Set for Download or QSAR

Found 249 hits Enz. Inhib. hit(s) with Target = 'NADPH oxidase 1'   
Target
(Institution)
LigandTarget
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)
BDBM65837
PNG
(4-(4,5-diphenyl-1,3-dihydroimidazol-2-ylidene)-2-m...)
Show SMILES COc1cc(ccc1O)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2O2/c1-26-19-14-17(12-13-18(19)25)22-23-20(15-8-4-2-5-9-15)21(24-22)16-10-6-3-7-11-16/h2-14,25H,1H3,(H,23,24)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM65850
PNG
((10-methylphenothiazin-3-yl)amine | 10-methyl-3-ph...)
Show SMILES CN1c2ccccc2Sc2cc(N)ccc12
Show InChI InChI=1S/C13H12N2S/c1-15-10-4-2-3-5-12(10)16-13-8-9(14)6-7-11(13)15/h2-8H,14H2,1H3
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM39486
PNG
(1-(3-chlorophenyl)-3-[4-(dimethylamino)phenyl]urea...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C15H16ClN3O/c1-19(2)14-8-6-12(7-9-14)17-15(20)18-13-5-3-4-11(16)10-13/h3-10H,1-2H3,(H2,17,18,20)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50686
PNG
(4-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazin...)
Show SMILES CC(N=Nc1ccc(cc1)C(O)=O)c1ccc2Sc3ccccc3Nc2c1
Show InChI InChI=1S/C21H17N3O2S/c1-13(23-24-16-9-6-14(7-10-16)21(25)26)15-8-11-20-18(12-15)22-17-4-2-3-5-19(17)27-20/h2-13,22H,1H3,(H,25,26)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM39524
PNG
((10H-Phenothiazin-2-yl)-carbamic acid ethyl ester ...)
Show SMILES CCOC(=O)Nc1ccc2Sc3ccccc3Nc2c1
Show InChI InChI=1S/C15H14N2O2S/c1-2-19-15(18)16-10-7-8-14-12(9-10)17-11-5-3-4-6-13(11)20-14/h3-9,17H,2H2,1H3,(H,16,18)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67476
PNG
(1-[4-(dimethylamino)phenyl]-3-(4-methylsulfanylphe...)
Show SMILES CSc1ccc(NC(=O)Nc2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C16H19N3OS/c1-19(2)14-8-4-12(5-9-14)17-16(20)18-13-6-10-15(21-3)11-7-13/h4-11H,1-3H3,(H2,17,18,20)
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The Scripps Research Institute Molecular Screening Center

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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50046
PNG
(1-(3-acetylphenyl)-3-[4-(diethylamino)phenyl]urea ...)
Show SMILES CCN(CC)c1ccc(NC(=O)Nc2cccc(c2)C(C)=O)cc1
Show InChI InChI=1S/C19H23N3O2/c1-4-22(5-2)18-11-9-16(10-12-18)20-19(24)21-17-8-6-7-15(13-17)14(3)23/h6-13H,4-5H2,1-3H3,(H2,20,21,24)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
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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The Scripps Research Institute Molecular Screening Center

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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
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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The Scripps Research Institute Molecular Screening Center

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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM49143
PNG
(1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)ure...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C16H19N3O2/c1-19(2)14-8-4-12(5-9-14)17-16(20)18-13-6-10-15(21-3)11-7-13/h4-11H,1-3H3,(H2,17,18,20)
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The Scripps Research Institute Molecular Screening Center

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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM65848
PNG
(1-[4-(diethylamino)phenyl]-3-phenyl-urea | 1-[4-(d...)
Show SMILES CCN(CC)c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C17H21N3O/c1-3-20(4-2)16-12-10-15(11-13-16)19-17(21)18-14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3,(H2,18,19,21)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67477
PNG
(2-chloranyl-7-methoxy-10H-phenothiazine | 2-chloro...)
Show SMILES COc1ccc2Nc3cc(Cl)ccc3Sc2c1
Show InChI InChI=1S/C13H10ClNOS/c1-16-9-3-4-10-13(7-9)17-12-5-2-8(14)6-11(12)15-10/h2-7,15H,1H3
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM46746
PNG
(1-(1,2,3-benzothiadiazol-5-yl)-3-[4-(dimethylamino...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc3snnc3c2)cc1
Show InChI InChI=1S/C15H15N5OS/c1-20(2)12-6-3-10(4-7-12)16-15(21)17-11-5-8-14-13(9-11)18-19-22-14/h3-9H,1-2H3,(H2,16,17,21)
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The Scripps Research Institute Molecular Screening Center

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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67146
PNG
((7-amino-10-methyl-3-phenothiazinyl)-phenylmethano...)
Show SMILES CN1c2ccc(N)cc2Sc2cc(ccc12)C(=O)c1ccccc1
Show InChI InChI=1S/C20H16N2OS/c1-22-16-9-7-14(20(23)13-5-3-2-4-6-13)11-18(16)24-19-12-15(21)8-10-17(19)22/h2-12H,21H2,1H3
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The Scripps Research Institute Molecular Screening Center

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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67504
PNG
(1-(4-fluorophenyl)-3-(phenylcarbamothioylamino)thi...)
Show SMILES Fc1ccc(NC(=S)NNC(=S)Nc2ccccc2)cc1
Show InChI InChI=1S/C14H13FN4S2/c15-10-6-8-12(9-7-10)17-14(21)19-18-13(20)16-11-4-2-1-3-5-11/h1-9H,(H2,16,18,20)(H2,17,19,21)
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The Scripps Research Institute Molecular Screening Center

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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM65839
PNG
(1-(4-benzoxyphenyl)-3-[4-(dimethylamino)phenyl]ure...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C22H23N3O2/c1-25(2)20-12-8-18(9-13-20)23-22(26)24-19-10-14-21(15-11-19)27-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H2,23,24,26)
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Assay Description
Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institut...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67479
PNG
(1-(4-benzoxyphenyl)-3-[4-(diethylamino)phenyl]urea...)
Show SMILES CCN(CC)c1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H27N3O2/c1-3-27(4-2)22-14-10-20(11-15-22)25-24(28)26-21-12-16-23(17-13-21)29-18-19-8-6-5-7-9-19/h5-17H,3-4,18H2,1-2H3,(H2,25,26,28)
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The Scripps Research Institute Molecular Screening Center

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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67533
PNG
(3-fluoranyl-10H-phenothiazine | 3-fluoro-10H-pheno...)
Show SMILES Fc1ccc2Nc3ccccc3Sc2c1
Show InChI InChI=1S/C12H8FNS/c13-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)14-10/h1-7,14H
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Assay Description
Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institut...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67532
PNG
(2-(methylthio)-10H-phenothiazine | 2-methylsulfany...)
Show SMILES CSc1ccc2Sc3ccccc3Nc2c1
Show InChI InChI=1S/C13H11NS2/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
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Assay Description
Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institut...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NADPH oxidase 1


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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50050
PNG
(1-(4-acetylphenyl)-3-[4-(diethylamino)phenyl]urea ...)
Show SMILES CCN(CC)c1ccc(NC(=O)Nc2ccc(cc2)C(C)=O)cc1
Show InChI InChI=1S/C19H23N3O2/c1-4-22(5-2)18-12-10-17(11-13-18)21-19(24)20-16-8-6-15(7-9-16)14(3)23/h6-13H,4-5H2,1-3H3,(H2,20,21,24)
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The Scripps Research Institute Molecular Screening Center

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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67467
PNG
(2-chloranyl-10H-phenothiazine | 2-chloro-10H-pheno...)
Show SMILES Clc1ccc2Sc3ccccc3Nc2c1
Show InChI InChI=1S/C12H8ClNS/c13-8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)15-12/h1-7,14H
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Assay Description
Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institut...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50672
PNG
(3-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazin...)
Show SMILES CC(N=Nc1cccc(c1)C(O)=O)c1ccc2Sc3ccccc3Nc2c1
Show InChI InChI=1S/C21H17N3O2S/c1-13(23-24-16-6-4-5-15(11-16)21(25)26)14-9-10-20-18(12-14)22-17-7-2-3-8-19(17)27-20/h2-13,22H,1H3,(H,25,26)
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Assay Description
Data Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institut...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
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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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67547
PNG
(1-[[anilino(sulfanylidene)methyl]amino]-3-phenylth...)
Show SMILES S=C(NNC(=S)Nc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C14H14N4S2/c19-13(15-11-7-3-1-4-8-11)17-18-14(20)16-12-9-5-2-6-10-12/h1-10H,(H2,15,17,19)(H2,16,18,20)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50012855
PNG
(10H-Phenothiazin | 10H-phenothiazine | CHEMBL828 |...)
Show SMILES N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM41688
PNG
(1-[4-(diethylamino)phenyl]-3-[2-(trifluoromethyl)p...)
Show SMILES CCN(CC)c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C18H20F3N3O/c1-3-24(4-2)14-11-9-13(10-12-14)22-17(25)23-16-8-6-5-7-15(16)18(19,20)21/h5-12H,3-4H2,1-2H3,(H2,22,23,25)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM65840
PNG
(6,11-dihydroquinoxalino[2,3-b]quinoxaline | ML090 ...)
Show SMILES N1c2ccccc2Nc2nc3ccccc3nc12
Show InChI InChI=1S/C14H10N4/c1-2-6-10-9(5-1)15-13-14(16-10)18-12-8-4-3-7-11(12)17-13/h1-8H,(H,15,17)(H,16,18)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67537
PNG
(1-(10H-phenothiazin-2-yl)ethanol | SR-03000000760-...)
Show SMILES CC(O)c1ccc2Sc3ccccc3Nc2c1
Show InChI InChI=1S/C14H13NOS/c1-9(16)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)17-14/h2-9,15-16H,1H3
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50012855
PNG
(10H-Phenothiazin | 10H-phenothiazine | CHEMBL828 |...)
Show SMILES N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM65837
PNG
(4-(4,5-diphenyl-1,3-dihydroimidazol-2-ylidene)-2-m...)
Show SMILES COc1cc(ccc1O)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2O2/c1-26-19-14-17(12-13-18(19)25)22-23-20(15-8-4-2-5-9-15)21(24-22)16-10-6-3-7-11-16/h2-14,25H,1H3,(H,23,24)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM65954
PNG
(4-hydroxy-N-[(E)-1-(10H-phenothiazin-2-yl)ethylide...)
Show SMILES CC(=NNC(=O)c1ccc(O)cc1)c1ccc2Sc3ccccc3Nc2c1
Show InChI InChI=1S/C21H17N3O2S/c1-13(23-24-21(26)14-6-9-16(25)10-7-14)15-8-11-20-18(12-15)22-17-4-2-3-5-19(17)27-20/h2-12,22,25H,1H3,(H,24,26)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM49143
PNG
(1-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)ure...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)N(C)C)cc1
Show InChI InChI=1S/C16H19N3O2/c1-19(2)14-8-4-12(5-9-14)17-16(20)18-13-6-10-15(21-3)11-7-13/h4-11H,1-3H3,(H2,17,18,20)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM65845
PNG
(1-[4-(dimethylamino)phenyl]-3-(1-naphthalenyl)urea...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H19N3O/c1-22(2)16-12-10-15(11-13-16)20-19(23)21-18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,1-2H3,(H2,20,21,23)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67504
PNG
(1-(4-fluorophenyl)-3-(phenylcarbamothioylamino)thi...)
Show SMILES Fc1ccc(NC(=S)NNC(=S)Nc2ccccc2)cc1
Show InChI InChI=1S/C14H13FN4S2/c15-10-6-8-12(9-7-10)17-14(21)19-18-13(20)16-11-4-2-1-3-5-11/h1-9H,(H2,16,18,20)(H2,17,19,21)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67506
PNG
(4-(4,5-diphenyl-1,3-dihydroimidazol-2-ylidene)-2,6...)
Show SMILES COc1cc(cc(OC)c1O)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H20N2O3/c1-27-18-13-17(14-19(28-2)22(18)26)23-24-20(15-9-5-3-6-10-15)21(25-23)16-11-7-4-8-12-16/h3-14,26H,1-2H3,(H,24,25)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50686
PNG
(4-[2-[1-(10H-phenothiazin-2-yl)ethylidene]hydrazin...)
Show SMILES CC(N=Nc1ccc(cc1)C(O)=O)c1ccc2Sc3ccccc3Nc2c1
Show InChI InChI=1S/C21H17N3O2S/c1-13(23-24-16-9-6-14(7-10-16)21(25)26)15-8-11-20-18(12-15)22-17-4-2-3-5-19(17)27-20/h2-13,22H,1H3,(H,25,26)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM66093
PNG
(N-(2,6-difluorophenyl)-10-phenothiazinecarboxamide...)
Show SMILES Fc1cccc(F)c1NC(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H12F2N2OS/c20-12-6-5-7-13(21)18(12)22-19(24)23-14-8-1-3-10-16(14)25-17-11-4-2-9-15(17)23/h1-11H,(H,22,24)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM66101
PNG
(2-chloranyl-N-(10-methylphenothiazin-3-yl)ethanami...)
Show SMILES CN1c2ccccc2Sc2cc(NC(=O)CCl)ccc12
Show InChI InChI=1S/C15H13ClN2OS/c1-18-11-4-2-3-5-13(11)20-14-8-10(6-7-12(14)18)17-15(19)9-16/h2-8H,9H2,1H3,(H,17,19)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM65842
PNG
(1-(4-chloranyl-2-methyl-phenyl)-3-[(4-fluorophenyl...)
Show SMILES Cc1cc(Cl)ccc1NC(=S)NNC(=S)Nc1ccc(F)cc1
Show InChI InChI=1S/C15H14ClFN4S2/c1-9-8-10(16)2-7-13(9)19-15(23)21-20-14(22)18-12-5-3-11(17)4-6-12/h2-8H,1H3,(H2,18,20,22)(H2,19,21,23)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67550
PNG
(1-(4-chlorophenyl)-3-(phenylcarbamothioylamino)thi...)
Show SMILES Clc1ccc(NC(=S)NNC(=S)Nc2ccccc2)cc1
Show InChI InChI=1S/C14H13ClN4S2/c15-10-6-8-12(9-7-10)17-14(21)19-18-13(20)16-11-4-2-1-3-5-11/h1-9H,(H2,16,18,20)(H2,17,19,21)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM66098
PNG
(3-azido-10-methyl-phenothiazine | 3-azido-10-methy...)
Show SMILES C[n+]1c2ccccc2sc2c\c(ccc12)=N\N=[N-]
Show InChI InChI=1S/C13H10N4S/c1-17-10-4-2-3-5-12(10)18-13-8-9(15-16-14)6-7-11(13)17/h2-8H,1H3
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67506
PNG
(4-(4,5-diphenyl-1,3-dihydroimidazol-2-ylidene)-2,6...)
Show SMILES COc1cc(cc(OC)c1O)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H20N2O3/c1-27-18-13-17(14-19(28-2)22(18)26)23-24-20(15-9-5-3-6-10-15)21(25-23)16-11-7-4-8-12-16/h3-14,26H,1-2H3,(H,24,25)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50012881
PNG
(2-Methoxy-10H-phenothiazine | CHEMBL64404 | cid_74...)
Show SMILES COc1ccc2Sc3ccccc3Nc2c1
Show InChI InChI=1S/C13H11NOS/c1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h2-8,14H,1H3
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM39524
PNG
((10H-Phenothiazin-2-yl)-carbamic acid ethyl ester ...)
Show SMILES CCOC(=O)Nc1ccc2Sc3ccccc3Nc2c1
Show InChI InChI=1S/C15H14N2O2S/c1-2-19-15(18)16-10-7-8-14-12(9-10)17-11-5-3-4-6-13(11)20-14/h3-9,17H,2H2,1H3,(H,16,18)
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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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM65843
PNG
(3-methoxy-10H-phenothiazine | SR-01000025134 | SR-...)
Show SMILES COc1ccc2Nc3ccccc3Sc2c1
Show InChI InChI=1S/C13H11NOS/c1-15-9-6-7-11-13(8-9)16-12-5-3-2-4-10(12)14-11/h2-8,14H,1H3
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UniProtKB/SwissProt

antibodypedia
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n/an/a 936n/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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM65842
PNG
(1-(4-chloranyl-2-methyl-phenyl)-3-[(4-fluorophenyl...)
Show SMILES Cc1cc(Cl)ccc1NC(=S)NNC(=S)Nc1ccc(F)cc1
Show InChI InChI=1S/C15H14ClFN4S2/c1-9-8-10(16)2-7-13(9)19-15(23)21-20-14(22)18-12-5-3-11(17)4-6-12/h2-8H,1H3,(H2,18,20,22)(H2,19,21,23)
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n/an/a 960n/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)

More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM65842
PNG
(1-(4-chloranyl-2-methyl-phenyl)-3-[(4-fluorophenyl...)
Show SMILES Cc1cc(Cl)ccc1NC(=S)NNC(=S)Nc1ccc(F)cc1
Show InChI InChI=1S/C15H14ClFN4S2/c1-9-8-10(16)2-7-13(9)19-15(23)21-20-14(22)18-12-5-3-11(17)4-6-12/h2-8H,1H3,(H2,18,20,22)(H2,19,21,23)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PCBioAssay
n/an/a 960n/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)

More data for this
Ligand-Target Pair
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