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Compile Data Set for Download or QSAR

Found 230 hits Enz. Inhib. hit(s) with Target = 'NADPH oxidase 1' AND taxid = 9606   
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)
BDBM50359528
PNG
(CHEMBL1927149)
Show SMILES Clc1ccccc1CN1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O
Show InChI InChI=1S/C23H20Cl2N4O2/c24-16-7-2-1-6-15(16)13-27-10-5-11-28-20(14-27)22-18(12-21(28)30)26-29(23(22)31)19-9-4-3-8-17(19)25/h1-4,6-9,12,26H,5,10-11,13-14H2
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87n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50359530
PNG
(CHEMBL1927151)
Show SMILES Clc1ccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)cc1
Show InChI InChI=1S/C23H20Cl2N4O2/c24-16-8-6-15(7-9-16)13-27-10-3-11-28-20(14-27)22-18(12-21(28)30)26-29(23(22)31)19-5-2-1-4-17(19)25/h1-2,4-9,12,26H,3,10-11,13-14H2
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95n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50359523
PNG
(CHEMBL1927147)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
Show InChI InChI=1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2
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101n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50359529
PNG
(CHEMBL1927150)
Show SMILES Clc1cccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C23H20Cl2N4O2/c24-16-6-3-5-15(11-16)13-27-9-4-10-28-20(14-27)22-18(12-21(28)30)26-29(23(22)31)19-8-2-1-7-17(19)25/h1-3,5-8,11-12,26H,4,9-10,13-14H2
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104n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50359519
PNG
(CHEMBL1927157)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccn4)Cc3c2c1=O
Show InChI InChI=1S/C22H20ClN5O2/c23-16-7-1-2-8-18(16)28-22(30)21-17(25-28)12-20(29)27-11-5-10-26(14-19(21)27)13-15-6-3-4-9-24-15/h1-4,6-9,12,25H,5,10-11,13-14H2
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113n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50359532
PNG
(CHEMBL1927153)
Show SMILES COc1cccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C24H23ClN4O3/c1-32-17-7-4-6-16(12-17)14-27-10-5-11-28-21(15-27)23-19(13-22(28)30)26-29(24(23)31)20-9-3-2-8-18(20)25/h2-4,6-9,12-13,26H,5,10-11,14-15H2,1H3
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113n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50359525
PNG
(CHEMBL1927146)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCNCc3c2c1=O
Show InChI InChI=1S/C16H15ClN4O2/c17-10-4-1-2-5-12(10)21-16(23)15-11(19-21)8-14(22)20-7-3-6-18-9-13(15)20/h1-2,4-5,8,18-19H,3,6-7,9H2
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119n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50359531
PNG
(CHEMBL1927152)
Show SMILES COc1ccccc1CN1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O
Show InChI InChI=1S/C24H23ClN4O3/c1-32-21-10-5-2-7-16(21)14-27-11-6-12-28-20(15-27)23-18(13-22(28)30)26-29(24(23)31)19-9-4-3-8-17(19)25/h2-5,7-10,13,26H,6,11-12,14-15H2,1H3
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133n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50359524
PNG
(CHEMBL1927145)
Show SMILES CC(C)(C)OC(=O)N1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O
Show InChI InChI=1S/C21H23ClN4O4/c1-21(2,3)30-20(29)24-9-6-10-25-16(12-24)18-14(11-17(25)27)23-26(19(18)28)15-8-5-4-7-13(15)22/h4-5,7-8,11,23H,6,9-10,12H2,1-3H3
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148n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50330722
PNG
(2-(2-chlorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C19H15ClN4O2/c1-12-18-15(10-17(25)23(12)11-13-6-4-5-9-21-13)22-24(19(18)26)16-8-3-2-7-14(16)20/h2-10,22H,11H2,1H3
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165n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50359522
PNG
(CHEMBL1927160)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCOCc3c2c1=O
Show InChI InChI=1S/C15H12ClN3O3/c16-9-3-1-2-4-11(9)19-15(21)14-10(17-19)7-13(20)18-5-6-22-8-12(14)18/h1-4,7,17H,5-6,8H2
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173n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50359533
PNG
(CHEMBL1927154)
Show SMILES COc1ccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)cc1
Show InChI InChI=1S/C24H23ClN4O3/c1-32-17-9-7-16(8-10-17)14-27-11-4-12-28-21(15-27)23-19(13-22(28)30)26-29(24(23)31)20-6-3-2-5-18(20)25/h2-3,5-10,13,26H,4,11-12,14-15H2,1H3
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184n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50359534
PNG
(CHEMBL1927155)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccoc4)Cc3c2c1=O
Show InChI InChI=1S/C21H19ClN4O3/c22-15-4-1-2-5-17(15)26-21(28)20-16(23-26)10-19(27)25-8-3-7-24(12-18(20)25)11-14-6-9-29-13-14/h1-2,4-6,9-10,13,23H,3,7-8,11-12H2
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200n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50359518
PNG
(CHEMBL1927156)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4cccnc4)Cc3c2c1=O
Show InChI InChI=1S/C22H20ClN5O2/c23-16-6-1-2-7-18(16)28-22(30)21-17(25-28)11-20(29)27-10-4-9-26(14-19(21)27)13-15-5-3-8-24-12-15/h1-3,5-8,11-12,25H,4,9-10,13-14H2
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208n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50359521
PNG
(CHEMBL1927159)
Show SMILES COc1cccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3OC)c2=O)c1
Show InChI InChI=1S/C25H26N4O4/c1-32-18-8-5-7-17(13-18)15-27-11-6-12-28-21(16-27)24-19(14-23(28)30)26-29(25(24)31)20-9-3-4-10-22(20)33-2/h3-5,7-10,13-14,26H,6,11-12,15-16H2,1-2H3
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212n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50359520
PNG
(CHEMBL1927158)
Show SMILES COc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccn4)Cc3c2c1=O
Show InChI InChI=1S/C23H23N5O3/c1-31-20-9-3-2-8-18(20)28-23(30)22-17(25-28)13-21(29)27-12-6-11-26(15-19(22)27)14-16-7-4-5-10-24-16/h2-5,7-10,13,25H,6,11-12,14-15H2,1H3
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217n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50359527
PNG
(CHEMBL1927148)
Show SMILES COc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
Show InChI InChI=1S/C24H24N4O3/c1-31-21-11-6-5-10-19(21)28-24(30)23-18(25-28)14-22(29)27-13-7-12-26(16-20(23)27)15-17-8-3-2-4-9-17/h2-6,8-11,14,25H,7,12-13,15-16H2,1H3
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218n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens)
BDBM50359526
PNG
(CHEMBL1926690)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCN(Cc4ccccc4)Cc3c2c1=O
Show InChI InChI=1S/C22H19ClN4O2/c23-16-8-4-5-9-18(16)27-22(29)21-17(24-27)12-20(28)26-11-10-25(14-19(21)26)13-15-6-2-1-3-7-15/h1-9,12,24H,10-11,13-14H2
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398n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX1 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...


Citation and Details
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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n/an/a 10n/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)
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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n/an/a 44n/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)
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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n/an/a 48n/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)
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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n/an/a 53n/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)
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

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)
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

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

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)
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

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)
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

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)
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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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...


Citation and Details
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

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)
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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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)
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

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

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)
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

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)
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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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)
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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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)
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...


Citation and Details
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

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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)

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

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


Citation and Details
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
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