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PubChem AID 2808

Compile data set for download or QSAR
Found 105 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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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/Q2KK998G
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

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/Q2KK998G
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


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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/Q2KK998G
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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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2KK998G
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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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/Q2KK998G
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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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2KK998G
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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The Scripps Research Institute Molecular Screening Center

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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/Q2KK998G
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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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2KK998G
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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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2KK998G
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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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/Q2KK998G
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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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/Q2KK998G
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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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/Q2KK998G
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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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2KK998G
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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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2KK998G
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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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/Q2KK998G
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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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67540
PNG
(4-(1,3-dihydrophenanthr[9,10-d]imidazol-2-ylidene)...)
Show SMILES COc1cc(ccc1O)-c1nc2c([nH]1)c1ccccc1c1ccccc21
Show InChI InChI=1S/C22H16N2O2/c1-26-19-12-13(10-11-18(19)25)22-23-20-16-8-4-2-6-14(16)15-7-3-5-9-17(15)21(20)24-22/h2-12,25H,1H3,(H,23,24)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67474
PNG
(7-nitro-2-(trifluoromethyl)-10H-phenothiazine | SR...)
Show SMILES [O-][N+](=O)c1ccc2Nc3cc(ccc3Sc2c1)C(F)(F)F
Show InChI InChI=1S/C13H7F3N2O2S/c14-13(15,16)7-1-4-11-10(5-7)17-9-3-2-8(18(19)20)6-12(9)21-11/h1-6,17H
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67521
PNG
(3,5,6-trichloro-4-[1-(4-hydroxyphenyl)ethenylhydra...)
Show SMILES CC(N=Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl)c1ccc(O)cc1
Show InChI InChI=1S/C14H10Cl3N3O3/c1-6(7-2-4-8(21)5-3-7)19-20-11-9(15)12(14(22)23)18-13(17)10(11)16/h2-6,21H,1H3,(H,22,23)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67486
PNG
(2-chloranyl-7-(4-methylphenyl)sulfonyl-10H-phenoth...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1ccc2Nc3cc(Cl)ccc3Sc2c1
Show InChI InChI=1S/C19H14ClNO2S2/c1-12-2-5-14(6-3-12)25(22,23)15-7-8-16-19(11-15)24-18-9-4-13(20)10-17(18)21-16/h2-11,21H,1H3
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67495
PNG
(4-(4,5-diphenyl-1H-imidazol-2-yl)-N,N-dimethyl-ani...)
Show SMILES CN(C)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H21N3/c1-26(2)20-15-13-19(14-16-20)23-24-21(17-9-5-3-6-10-17)22(25-23)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,24,25)
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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67487
PNG
(4-[4,5-bis(4-methoxyphenyl)-1,3-dihydroimidazol-2-...)
Show SMILES COc1ccc(cc1)-c1nc([nH]c1-c1ccc(OC)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C23H20N2O3/c1-27-19-11-5-15(6-12-19)21-22(16-7-13-20(28-2)14-8-16)25-23(24-21)17-3-9-18(26)10-4-17/h3-14,26H,1-2H3,(H,24,25)
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67488
PNG
(N-[(E)-(phenylmethylene)amino]aniline | N-[(E)-(ph...)
Show SMILES C(N=Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C13H12N2/c1-3-7-12(8-4-1)11-14-15-13-9-5-2-6-10-13/h1-10H,11H2
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50130273
PNG
(2-(4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]-1...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
Show InChI InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67465
PNG
(2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazole | SR-0...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H15N3O2/c25-24(26)18-13-11-17(12-14-18)21-22-19(15-7-3-1-4-8-15)20(23-21)16-9-5-2-6-10-16/h1-14H,(H,22,23)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50051887
PNG
(2,4,5-triphenyl-1H-imidazole | CHEMBL34173 | cid_1...)
Show SMILES c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H16N2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15H,(H,22,23)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67466
PNG
(4-(4,5-diphenyl-1,3-dihydroimidazol-2-ylidene)-1-c...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H16N2O/c24-18-13-11-17(12-14-18)21-22-19(15-7-3-1-4-8-15)20(23-21)16-9-5-2-6-10-16/h1-14,24H,(H,22,23)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67485
PNG
(3,5-bis(chloranyl)-N-[(E)-(phenylmethylidene)amino...)
Show SMILES Clc1cncc(Cl)c1N=NCc1ccccc1
Show InChI InChI=1S/C12H9Cl2N3/c13-10-7-15-8-11(14)12(10)17-16-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67490
PNG
(2-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazole | SR...)
Show SMILES COc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2O/c1-25-19-14-12-18(13-15-19)22-23-20(16-8-4-2-5-9-16)21(24-22)17-10-6-3-7-11-17/h2-15H,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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67505
PNG
(2-(2-nitrophenyl)-4,5-diphenyl-1H-imidazole | SR-0...)
Show SMILES [O-][N+](=O)c1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H15N3O2/c25-24(26)18-14-8-7-13-17(18)21-22-19(15-9-3-1-4-10-15)20(23-21)16-11-5-2-6-12-16/h1-14H,(H,22,23)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67525
PNG
((2-fluorophenyl) 3-chloranyl-1-benzothiophene-2-ca...)
Show SMILES Fc1ccccc1OC(=O)c1sc2ccccc2c1Cl
Show InChI InChI=1S/C15H8ClFO2S/c16-13-9-5-1-4-8-12(9)20-14(13)15(18)19-11-7-3-2-6-10(11)17/h1-8H
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM78433
PNG
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67462
PNG
(2-(3-methoxyphenyl)-4,5-diphenyl-1H-imidazole | SR...)
Show SMILES COc1cccc(c1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2O/c1-25-19-14-8-13-18(15-19)22-23-20(16-9-4-2-5-10-16)21(24-22)17-11-6-3-7-12-17/h2-15H,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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67463
PNG
(N,N'-bis(4-fluorophenyl)butanediamide | N,N'-bis(4...)
Show SMILES Fc1ccc(NC(=O)CCC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H14F2N2O2/c17-11-1-5-13(6-2-11)19-15(21)9-10-16(22)20-14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H,19,21)(H,20,22)
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67469
PNG
(2-methyl-4,5-diphenyl-1H-imidazole | SR-0100068313...)
Show SMILES Cc1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-12-17-15(13-8-4-2-5-9-13)16(18-12)14-10-6-3-7-11-14/h2-11H,1H3,(H,17,18)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67481
PNG
(1-(4-benzoxyphenyl)-3-(4-piperidinophenyl)urea | 1...)
Show SMILES O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C25H27N3O2/c29-25(26-21-9-13-23(14-10-21)28-17-5-2-6-18-28)27-22-11-15-24(16-12-22)30-19-20-7-3-1-4-8-20/h1,3-4,7-16H,2,5-6,17-19H2,(H2,26,27,29)
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67483
PNG
((3,5-dichloro-4-pyridyl)-[(E)-(3-nitrobenzylidene)...)
Show SMILES [O-][N+](=O)c1cccc([CH-]\N=[NH+]\c2c(Cl)cncc2Cl)c1
Show InChI InChI=1S/C12H7Cl2N4O2/c13-10-6-15-7-11(14)12(10)17-16-5-8-2-1-3-9(4-8)18(19)20/h1-7H/q-1/p+1/b17-16+
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67493
PNG
(2-(3,4-dimethoxyphenyl)-4,5-bis(4-methoxyphenyl)-1...)
Show SMILES COc1ccc(cc1)-c1nc([nH]c1-c1ccc(OC)cc1)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C25H24N2O4/c1-28-19-10-5-16(6-11-19)23-24(17-7-12-20(29-2)13-8-17)27-25(26-23)18-9-14-21(30-3)22(15-18)31-4/h5-15H,1-4H3,(H,26,27)
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67496
PNG
(2-(2-methylphenyl)-4,5-diphenyl-1H-imidazole | 2-(...)
Show SMILES Cc1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-16-10-8-9-15-19(16)22-23-20(17-11-4-2-5-12-17)21(24-22)18-13-6-3-7-14-18/h2-15H,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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67518
PNG
(2,5-diphenyl-1,3,4-thiadiazole | SR-03000000740-1 ...)
Show SMILES c1ccc(cc1)-c1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C14H10N2S/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10H
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67526
PNG
(3-chloro-1-benzothiophene-2-carboxylic acid [4-(1,...)
Show SMILES Clc1c(sc2ccccc12)C(=O)Oc1ccc(cc1)-c1nnco1
Show InChI InChI=1S/C17H9ClN2O3S/c18-14-12-3-1-2-4-13(12)24-15(14)17(21)23-11-7-5-10(6-8-11)16-20-19-9-22-16/h1-9H
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67536
PNG
((3-methoxyphenyl) 3-chloranyl-1-benzothiophene-2-c...)
Show SMILES COc1cccc(OC(=O)c2sc3ccccc3c2Cl)c1
Show InChI InChI=1S/C16H11ClO3S/c1-19-10-5-4-6-11(9-10)20-16(18)15-14(17)12-7-2-3-8-13(12)21-15/h2-9H,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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67546
PNG
(N,N'-bis(4-chlorophenyl)butanedithioamide | SR-010...)
Show SMILES Clc1ccc(NC(=S)CCC(=S)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H14Cl2N2S2/c17-11-1-5-13(6-2-11)19-15(21)9-10-16(22)20-14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H,19,21)(H,20,22)
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67459
PNG
(1-(4-benzoxyphenyl)-3-(4-nitrophenyl)urea | 1-(4-n...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C20H17N3O4/c24-20(21-16-6-10-18(11-7-16)23(25)26)22-17-8-12-19(13-9-17)27-14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,21,22,24)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50097447
PNG
(1-Phenyl-3-(4-phenyl-thiazol-2-yl)-urea | CHEMBL35...)
Show SMILES O=C(Nc1nc(cs1)-c1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C16H13N3OS/c20-15(17-13-9-5-2-6-10-13)19-16-18-14(11-21-16)12-7-3-1-4-8-12/h1-11H,(H2,17,18,19,20)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67478
PNG
(2,4,5-triphenyl-1,3-oxazole | 2,4,5-triphenyloxazo...)
Show SMILES c1ccc(cc1)-c1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H15NO/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18/h1-15H
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67482
PNG
(2-hydroxy-N-[4-[(4-phenylmethoxyphenyl)carbamoylam...)
Show SMILES Oc1ccccc1C(=O)Nc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H23N3O4/c31-25-9-5-4-8-24(25)26(32)28-20-10-12-21(13-11-20)29-27(33)30-22-14-16-23(17-15-22)34-18-19-6-2-1-3-7-19/h1-17,31H,18H2,(H,28,32)(H2,29,30,33)
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67492
PNG
(2-(trifluoromethyl)-10H-phenothiazine 5-oxide | SR...)
Show SMILES FC(F)(F)c1ccc2c(Nc3ccccc3S2=O)c1
Show InChI InChI=1S/C13H8F3NOS/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)19(12)18/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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67497
PNG
((3-nitrophenyl) 3-chloranyl-1-benzothiophene-2-car...)
Show SMILES [O-][N+](=O)c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1
Show InChI InChI=1S/C15H8ClNO4S/c16-13-11-6-1-2-7-12(11)22-14(13)15(18)21-10-5-3-4-9(8-10)17(19)20/h1-8H
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67499
PNG
((2-acetamidophenyl) 3,6-bis(chloranyl)-1-benzothio...)
Show SMILES CC(=O)Nc1ccccc1OC(=O)c1sc2cc(Cl)ccc2c1Cl
Show InChI InChI=1S/C17H11Cl2NO3S/c1-9(21)20-12-4-2-3-5-13(12)23-17(22)16-15(19)11-7-6-10(18)8-14(11)24-16/h2-8H,1H3,(H,20,21)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67503
PNG
((4-nitrophenyl) 3-chloranyl-1-benzothiophene-2-car...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1
Show InChI InChI=1S/C15H8ClNO4S/c16-13-11-3-1-2-4-12(11)22-14(13)15(18)21-10-7-5-9(6-8-10)17(19)20/h1-8H
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67520
PNG
(1-[(2-ketoindol-3-yl)amino]-3-phenyl-thiourea | 1-...)
Show SMILES O=C1N=c2ccccc2=C1NNC(=S)Nc1ccccc1
Show InChI InChI=1S/C15H12N4OS/c20-14-13(11-8-4-5-9-12(11)17-14)18-19-15(21)16-10-6-2-1-3-7-10/h1-9H,(H2,16,19,21)(H,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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67522
PNG
(3,5,6-trichloro-4-[1-(2,3-dihydro-1,4-benzodioxin-...)
Show SMILES CC(N=Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl)c1ccc2OCCOc2c1
Show InChI InChI=1S/C16H12Cl3N3O4/c1-7(8-2-3-9-10(6-8)26-5-4-25-9)21-22-13-11(17)14(16(23)24)20-15(19)12(13)18/h2-3,6-7H,4-5H2,1H3,(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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67523
PNG
(2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole | SR-...)
Show SMILES Clc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H15ClN2/c22-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-14H,(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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67530
PNG
(3,5,6-trichloro-4-[(2E)-2-(phenylmethylene)hydrazi...)
Show SMILES OC(=O)c1nc(Cl)c(Cl)c(N=NCc2ccccc2)c1Cl
Show InChI InChI=1S/C13H8Cl3N3O2/c14-8-10(9(15)12(16)18-11(8)13(20)21)19-17-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,20,21)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67534
PNG
((Z)-N-(2,4,6-trichlorophenyl)benzenecarbohydrazono...)
Show SMILES ClC(N=Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1
Show InChI InChI=1S/C13H8Cl4N2/c14-9-6-10(15)12(11(16)7-9)18-19-13(17)8-4-2-1-3-5-8/h1-7,13H
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67541
PNG
((3,5-dichloro-4-pyridyl)-[(E)-[4-(trifluoromethoxy...)
Show SMILES FC(F)(F)Oc1ccc(CN=Nc2c(Cl)cncc2Cl)cc1
Show InChI InChI=1S/C13H8Cl2F3N3O/c14-10-6-19-7-11(15)12(10)21-20-5-8-1-3-9(4-2-8)22-13(16,17)18/h1-4,6-7H,5H2
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67542
PNG
(1-(1-besylindolin-5-yl)-3-(4-methoxyphenyl)urea | ...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3N(CCc3c2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H21N3O4S/c1-29-19-10-7-17(8-11-19)23-22(26)24-18-9-12-21-16(15-18)13-14-25(21)30(27,28)20-5-3-2-4-6-20/h2-12,15H,13-14H2,1H3,(H2,23,24,26)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67461
PNG
(2-(4-nitrophenyl)-N-(4-phenoxyphenyl)acetamide | 2...)
Show SMILES [O-][N+](=O)c1ccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C20H16N2O4/c23-20(14-15-6-10-17(11-7-15)22(24)25)21-16-8-12-19(13-9-16)26-18-4-2-1-3-5-18/h1-13H,14H2,(H,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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67470
PNG
(2-phenyl-N'-(2-phenylacetyl)acetohydrazide | 2-phe...)
Show SMILES O=C(Cc1ccccc1)NNC(=O)Cc1ccccc1
Show InChI InChI=1S/C16H16N2O2/c19-15(11-13-7-3-1-4-8-13)17-18-16(20)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67471
PNG
(2-(4-methylphenyl)-4,5-diphenyl-1H-imidazole | 4,5...)
Show SMILES Cc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-16-12-14-19(15-13-16)22-23-20(17-8-4-2-5-9-17)21(24-22)18-10-6-3-7-11-18/h2-15H,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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67475
PNG
(1-(4-chlorophenyl)-3-[(4-chlorophenyl)carbamoylami...)
Show SMILES Clc1ccc(NC(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C14H12Cl2N4O2/c15-9-1-5-11(6-2-9)17-13(21)19-20-14(22)18-12-7-3-10(16)4-8-12/h1-8H,(H2,17,19,21)(H2,18,20,22)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67498
PNG
(2-(3-nitrophenyl)-4,5-diphenyl-1H-imidazole | SR-0...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H15N3O2/c25-24(26)18-13-7-12-17(14-18)21-22-19(15-8-3-1-4-9-15)20(23-21)16-10-5-2-6-11-16/h1-14H,(H,22,23)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67515
PNG
(3,5,6-trichloro-4-[(2E)-2-[(3,4,5-trimethoxyphenyl...)
Show SMILES COc1cc(CN=Nc2c(Cl)c(Cl)nc(C(O)=O)c2Cl)cc(OC)c1OC
Show InChI InChI=1S/C16H14Cl3N3O5/c1-25-8-4-7(5-9(26-2)14(8)27-3)6-20-22-12-10(17)13(16(23)24)21-15(19)11(12)18/h4-5H,6H2,1-3H3,(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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67524
PNG
(6-(4,5-diphenyl-1,3-dihydroimidazol-2-ylidene)-1-c...)
Show SMILES Oc1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H16N2O/c24-18-14-8-7-13-17(18)21-22-19(15-9-3-1-4-10-15)20(23-21)16-11-5-2-6-12-16/h1-14,24H,(H,22,23)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67538
PNG
((E)-N-(3,5-dinitrophenoxy)-1-phenyl-methanimine | ...)
Show SMILES [O-][N+](=O)c1cc(O[N-][CH+]c2ccccc2)cc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H9N3O5/c17-15(18)11-6-12(16(19)20)8-13(7-11)21-14-9-10-4-2-1-3-5-10/h1-9H
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67543
PNG
(2-(4-fluorophenyl)-4,5-diphenyl-1H-imidazole | SR-...)
Show SMILES Fc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H15FN2/c22-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-14H,(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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67460
PNG
(5-(4,5-diphenyl-1H-imidazol-2-yl)-2-methoxy-phenol...)
Show SMILES COc1ccc(cc1O)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2O2/c1-26-19-13-12-17(14-18(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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67468
PNG
(3-chloro-1-benzothiophene-2-carboxylic acid [3-(1-...)
Show SMILES Clc1c(sc2ccccc12)C(=O)Oc1cccc(c1)-n1cnnn1
Show InChI InChI=1S/C16H9ClN4O2S/c17-14-12-6-1-2-7-13(12)24-15(14)16(22)23-11-5-3-4-10(8-11)21-9-18-19-20-21/h1-9H
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50051909
PNG
(2-Furan-2-yl-4,5-diphenyl-1H-imidazole | CHEMBL284...)
Show SMILES c1coc(c1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H14N2O/c1-3-8-14(9-4-1)17-18(15-10-5-2-6-11-15)21-19(20-17)16-12-7-13-22-16/h1-13H,(H,20,21)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67510
PNG
((4-methoxyphenyl) 3-chloranyl-1-benzothiophene-2-c...)
Show SMILES COc1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1
Show InChI InChI=1S/C16H11ClO3S/c1-19-10-6-8-11(9-7-10)20-16(18)15-14(17)12-4-2-3-5-13(12)21-15/h2-9H,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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67512
PNG
((2-nitrophenyl) 3-chloranyl-6-methoxy-1-benzothiop...)
Show SMILES COc1ccc2c(Cl)c(sc2c1)C(=O)Oc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C16H10ClNO5S/c1-22-9-6-7-10-13(8-9)24-15(14(10)17)16(19)23-12-5-3-2-4-11(12)18(20)21/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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67513
PNG
((2-chlorophenyl) 3-chloranyl-6-methoxy-1-benzothio...)
Show SMILES COc1ccc2c(Cl)c(sc2c1)C(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C16H10Cl2O3S/c1-20-9-6-7-10-13(8-9)22-15(14(10)18)16(19)21-12-5-3-2-4-11(12)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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67458
PNG
(1-(2-methoxy-4-nitro-phenyl)-3-(4-phenoxyphenyl)ur...)
Show SMILES COc1cc(ccc1NC(=O)Nc1ccc(Oc2ccccc2)cc1)[N+]([O-])=O
Show InChI InChI=1S/C20H17N3O5/c1-27-19-13-15(23(25)26)9-12-18(19)22-20(24)21-14-7-10-17(11-8-14)28-16-5-3-2-4-6-16/h2-13H,1H3,(H2,21,22,24)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67484
PNG
(3,5-dichloro-N-[(E)-(2,6-dichlorophenyl)methyliden...)
Show SMILES Clc1cccc(Cl)c1CN=Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C12H7Cl4N3/c13-8-2-1-3-9(14)7(8)4-18-19-12-10(15)5-17-6-11(12)16/h1-3,5-6H,4H2
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67519
PNG
(2-(2-phenyl-4-pyridin-2-yl-1H-imidazol-5-yl)pyridi...)
Show SMILES c1ccc(cc1)-c1nc(c([nH]1)-c1ccccn1)-c1ccccn1
Show InChI InChI=1S/C19H14N4/c1-2-8-14(9-3-1)19-22-17(15-10-4-6-12-20-15)18(23-19)16-11-5-7-13-21-16/h1-13H,(H,22,23)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67527
PNG
(3,5,6-trichloro-4-[1-[4-(4-morpholinyl)phenyl]ethe...)
Show SMILES CC(N=Nc1c(Cl)c(Cl)nc(C(O)=O)c1Cl)c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C18H17Cl3N4O3/c1-10(11-2-4-12(5-3-11)25-6-8-28-9-7-25)23-24-15-13(19)16(18(26)27)22-17(21)14(15)20/h2-5,10H,6-9H2,1H3,(H,26,27)
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67528
PNG
((4-nitrophenyl) 1-benzothiophene-2-carboxylate | 1...)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)c2cc3ccccc3s2)cc1
Show InChI InChI=1S/C15H9NO4S/c17-15(14-9-10-3-1-2-4-13(10)21-14)20-12-7-5-11(6-8-12)16(18)19/h1-9H
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67455
PNG
((3,5-dichloro-4-pyridyl)-[(E)-(2,3,4-trimethoxyben...)
Show SMILES COc1ccc(CN=Nc2c(Cl)cncc2Cl)c(OC)c1OC
Show InChI InChI=1S/C15H15Cl2N3O3/c1-21-12-5-4-9(14(22-2)15(12)23-3)6-19-20-13-10(16)7-18-8-11(13)17/h4-5,7-8H,6H2,1-3H3
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM32343
PNG
((3,5-dichloro-4-pyridyl)-(4-pyridylmethyleneamino)...)
Show SMILES Clc1cncc(Cl)c1N=NCc1ccncc1
Show InChI InChI=1S/C11H8Cl2N4/c12-9-6-15-7-10(13)11(9)17-16-5-8-1-3-14-4-2-8/h1-4,6-7H,5H2
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67464
PNG
((2-methoxyphenyl) 3-chloranyl-1-benzothiophene-2-c...)
Show SMILES COc1ccccc1OC(=O)c1sc2ccccc2c1Cl
Show InChI InChI=1S/C16H11ClO3S/c1-19-11-7-3-4-8-12(11)20-16(18)15-14(17)10-6-2-5-9-13(10)21-15/h2-9H,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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67480
PNG
(N'-(2,6-dichlorophenyl)benzohydrazide | N'-[2,6-bi...)
Show SMILES Clc1cccc(Cl)c1NNC(=O)c1ccccc1
Show InChI InChI=1S/C13H10Cl2N2O/c14-10-7-4-8-11(15)12(10)16-17-13(18)9-5-2-1-3-6-9/h1-8,16H,(H,17,18)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67489
PNG
(1-(4-chlorophenyl)-3-(4-phenoxyphenyl)urea | SR-03...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C19H15ClN2O2/c20-14-6-8-15(9-7-14)21-19(23)22-16-10-12-18(13-11-16)24-17-4-2-1-3-5-17/h1-13H,(H2,21,22,23)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67491
PNG
(2,4,5-tris(4-methoxyphenyl)-1H-imidazole | SR-0300...)
Show SMILES COc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(OC)cc1)-c1ccc(OC)cc1
Show InChI InChI=1S/C24H22N2O3/c1-27-19-10-4-16(5-11-19)22-23(17-6-12-20(28-2)13-7-17)26-24(25-22)18-8-14-21(29-3)15-9-18/h4-15H,1-3H3,(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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67494
PNG
(N-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]acetami...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H19N3O/c1-16(27)24-20-14-12-19(13-15-20)23-25-21(17-8-4-2-5-9-17)22(26-23)18-10-6-3-7-11-18/h2-15H,1H3,(H,24,27)(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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67501
PNG
(3-chloro-1-benzothiophene-2-carboxylic acid 1-naph...)
Show SMILES Clc1c(sc2ccccc12)C(=O)Oc1cccc2ccccc12
Show InChI InChI=1S/C19H11ClO2S/c20-17-14-9-3-4-11-16(14)23-18(17)19(21)22-15-10-5-7-12-6-1-2-8-13(12)15/h1-11H
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67502
PNG
((2-nitrophenyl) 3-chloranyl-1-benzothiophene-2-car...)
Show SMILES [O-][N+](=O)c1ccccc1OC(=O)c1sc2ccccc2c1Cl
Show InChI InChI=1S/C15H8ClNO4S/c16-13-9-5-1-4-8-12(9)22-14(13)15(18)21-11-7-3-2-6-10(11)17(19)20/h1-8H
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67511
PNG
(3-chloro-1-benzothiophene-2-carboxylic acid phenyl...)
Show SMILES Clc1c(sc2ccccc12)C(=O)Oc1ccccc1
Show InChI InChI=1S/C15H9ClO2S/c16-13-11-8-4-5-9-12(11)19-14(13)15(17)18-10-6-2-1-3-7-10/h1-9H
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67529
PNG
((2-methoxyphenyl) 1-benzothiophene-2-carboxylate |...)
Show SMILES COc1ccccc1OC(=O)c1cc2ccccc2s1
Show InChI InChI=1S/C16H12O3S/c1-18-12-7-3-4-8-13(12)19-16(17)15-10-11-6-2-5-9-14(11)20-15/h2-10H,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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67531
PNG
(1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphe...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3N(CCc3c2)C(C)=O)cc1
Show InChI InChI=1S/C18H19N3O3/c1-12(22)21-10-9-13-11-15(5-8-17(13)21)20-18(23)19-14-3-6-16(24-2)7-4-14/h3-8,11H,9-10H2,1-2H3,(H2,19,20,23)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67535
PNG
((3-fluorophenyl) 3-chloranyl-1-benzothiophene-2-ca...)
Show SMILES Fc1cccc(OC(=O)c2sc3ccccc3c2Cl)c1
Show InChI InChI=1S/C15H8ClFO2S/c16-13-11-6-1-2-7-12(11)20-14(13)15(18)19-10-5-3-4-9(17)8-10/h1-8H
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67545
PNG
(N,N-dimethyl-3-(10-phenothiazinyl)-1-propanamine;h...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67457
PNG
(N,N'-diphenylbutanediamide | N,N'-diphenylsuccinam...)
Show SMILES O=C(CCC(=O)Nc1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C16H16N2O2/c19-15(17-13-7-3-1-4-8-13)11-12-16(20)18-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)(H,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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67472
PNG
(2-(3,4-dimethoxyphenyl)-4,5-diphenyl-1H-imidazole ...)
Show SMILES COc1ccc(cc1OC)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H20N2O2/c1-26-19-14-13-18(15-20(19)27-2)23-24-21(16-9-5-3-6-10-16)22(25-23)17-11-7-4-8-12-17/h3-15H,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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67473
PNG
(3-chloranyl-1-benzothiophene-2-carboxylic acid | 3...)
Show SMILES OC(=O)c1sc2ccccc2c1Cl
Show InChI InChI=1S/C9H5ClO2S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12)
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67500
PNG
((2-acetamidophenyl) 3-chloranyl-1-benzothiophene-2...)
Show SMILES CC(=O)Nc1ccccc1OC(=O)c1sc2ccccc2c1Cl
Show InChI InChI=1S/C17H12ClNO3S/c1-10(20)19-12-7-3-4-8-13(12)22-17(21)16-15(18)11-6-2-5-9-14(11)23-16/h2-9H,1H3,(H,19,20)
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67507
PNG
(2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole | SR-...)
Show SMILES Clc1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H15ClN2/c22-18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16/h1-14H,(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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67508
PNG
((4-chlorophenyl) 3-chloranyl-1-benzothiophene-2-ca...)
Show SMILES Clc1c(sc2ccccc12)C(=O)Oc1ccc(Cl)cc1
Show InChI InChI=1S/C15H8Cl2O2S/c16-9-5-7-10(8-6-9)19-15(18)14-13(17)11-3-1-2-4-12(11)20-14/h1-8H
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67514
PNG
(N-[4-[(E)-[(2,4,6-trichlorophenyl)hydrazinylidene]...)
Show SMILES CC(=O)Nc1ccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C15H12Cl3N3O/c1-9(22)20-12-4-2-10(3-5-12)8-19-21-15-13(17)6-11(16)7-14(15)18/h2-7H,8H2,1H3,(H,20,22)
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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/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67516
PNG
(3,5,6-trichloro-4-[(2E)-2-[(4-morpholin-4-yl-3-nit...)
Show SMILES OC(=O)c1nc(Cl)c(Cl)c(\[NH+]=N\[CH-]c2ccc(N3CCOCC3)c(c2)[N+]([O-])=O)c1Cl
Show InChI InChI=1S/C17H13Cl3N5O5/c18-12-14(13(19)16(20)22-15(12)17(26)27)23-21-8-9-1-2-10(11(7-9)25(28)29)24-3-5-30-6-4-24/h1-2,7-8H,3-6H2,(H,26,27)/q-1/p+1/b23-21+
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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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67517
PNG
(2-(4-iodophenyl)-4,5-diphenyl-1H-imidazole | SR-03...)
Show SMILES Ic1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H15IN2/c22-18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)20(24-21)16-9-5-2-6-10-16/h1-14H,(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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM67539
PNG
(1-(1-pyridin-4-ylethenyl)-2-(2,3,5,6-tetrafluoro-4...)
Show SMILES CC(N=Nc1c(F)c(F)nc(F)c1F)c1ccncc1
Show InChI InChI=1S/C12H8F4N4/c1-6(7-2-4-17-5-3-7)19-20-10-8(13)11(15)18-12(16)9(10)14/h2-6H,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)


BindingDB Entry DOI: 10.7270/Q2KK998G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%