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Compile Data Set for Download or QSAR

Found 79 hits Enz. Inhib. hit(s) with all data for entry = 50032533   
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 4


(Homo sapiens (Human))
BDBM50330742
PNG
(2-(2-Chlorophenyl)-5-[(1-methyl-1H-pyrazol-3-yl)me...)
Show SMILES CN(Cc1ccccc1)Cc1n(Cc2ccn(C)n2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C26H25ClN6O2/c1-30(15-18-8-4-3-5-9-18)17-23-25-21(14-24(34)32(23)16-19-12-13-31(2)28-19)29-33(26(25)35)22-11-7-6-10-20(22)27/h3-14,29H,15-17H2,1-2H3
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47n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330740
PNG
(2-(2-chlorophenyl)-4-((4-(3-methoxyphenyl)piperazi...)
Show SMILES COc1cccc(c1)N1CCN(Cc2n(C)c(=O)cc3[nH]n(-c4ccccc4Cl)c(=O)c23)CC1
Show InChI InChI=1S/C25H26ClN5O3/c1-28-22(16-29-10-12-30(13-11-29)17-6-5-7-18(14-17)34-2)24-20(15-23(28)32)27-31(25(24)33)21-9-4-3-8-19(21)26/h3-9,14-15,27H,10-13,16H2,1-2H3
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65n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330744
PNG
(4-((2-chlorobenzyloxy)methyl)-2-(2-chlorophenyl)-5...)
Show SMILES Cn1c(COCc2ccccc2Cl)c2c(cc1=O)[nH]n(-c1ccccc1Cl)c2=O
Show InChI InChI=1S/C21H17Cl2N3O3/c1-25-18(12-29-11-13-6-2-3-7-14(13)22)20-16(10-19(25)27)24-26(21(20)28)17-9-5-4-8-15(17)23/h2-10,24H,11-12H2,1H3
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82n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330743
PNG
(4-(benzyloxymethyl)-2-(2-chlorophenyl)-5-(pyrazin-...)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n(Cc3cnccn3)c(COCc3ccccc3)c2c1=O
Show InChI InChI=1S/C25H20ClN5O3/c26-19-8-4-5-9-21(19)31-25(33)24-20(29-31)12-23(32)30(14-18-13-27-10-11-28-18)22(24)16-34-15-17-6-2-1-3-7-17/h1-13,29H,14-16H2
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95n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330738
PNG
(2-(2-chloro-4-fluorophenyl)-5-(2-(pyridin-2-yl)eth...)
Show SMILES Fc1ccc(c(Cl)c1)-n1[nH]c2cc(=O)n(CCc3ccccn3)c(CN3CCCC3)c2c1=O
Show InChI InChI=1S/C24H23ClFN5O2/c25-18-13-16(26)6-7-20(18)31-24(33)23-19(28-31)14-22(32)30(12-8-17-5-1-2-9-27-17)21(23)15-29-10-3-4-11-29/h1-2,5-7,9,13-14,28H,3-4,8,10-12,15H2
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114n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330745
PNG
(2-(2-chlorophenyl)-4-((4-fluorophenoxy)methyl)-5-m...)
Show SMILES Cn1c(COc2ccc(F)cc2)c2c(cc1=O)[nH]n(-c1ccccc1Cl)c2=O
Show InChI InChI=1S/C20H15ClFN3O3/c1-24-17(11-28-13-8-6-12(22)7-9-13)19-15(10-18(24)26)23-25(20(19)27)16-5-3-2-4-14(16)21/h2-10,23H,11H2,1H3
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114n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330746
PNG
(2-(2-chlorophenyl)-4-(2-fluorophenyl)-5-methyl-1H-...)
Show SMILES Cn1c(-c2ccccc2F)c2c(cc1=O)[nH]n(-c1ccccc1Cl)c2=O |(55.19,-34.39,;53.86,-35.16,;52.52,-34.4,;52.52,-32.86,;51.18,-32.11,;51.17,-30.57,;52.5,-29.78,;53.84,-30.55,;53.85,-32.09,;55.18,-32.86,;51.19,-35.17,;51.19,-36.71,;52.53,-37.49,;53.87,-36.71,;55.2,-37.48,;49.73,-37.19,;48.82,-35.94,;47.28,-35.94,;46.52,-37.27,;44.98,-37.28,;44.21,-35.94,;44.98,-34.6,;46.52,-34.6,;47.3,-33.27,;49.73,-34.7,;49.26,-33.23,)|
Show InChI InChI=1S/C19H13ClFN3O2/c1-23-16(25)10-14-17(18(23)11-6-2-4-8-13(11)21)19(26)24(22-14)15-9-5-3-7-12(15)20/h2-10,22H,1H3
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128n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330739
PNG
(2-(2-chlorophenyl)-4-((methyl(phenyl)amino)methyl)...)
Show SMILES CN(Cc1n(Cc2ccncc2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12)c1ccccc1
Show InChI InChI=1S/C26H22ClN5O2/c1-30(19-7-3-2-4-8-19)17-23-25-21(15-24(33)31(23)16-18-11-13-28-14-12-18)29-32(26(25)34)22-10-6-5-9-20(22)27/h2-15,29H,16-17H2,1H3
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151n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330737
PNG
(4-((4-fluorophenoxy)methyl)-5-(2-methoxyethyl)-2-(...)
Show SMILES COCCn1c(COc2ccc(F)cc2)c2c(cc1=O)[nH]n(CCN1CCOCC1)c2=O
Show InChI InChI=1S/C22H27FN4O5/c1-30-11-10-26-19(15-32-17-4-2-16(23)3-5-17)21-18(14-20(26)28)24-27(22(21)29)7-6-25-8-12-31-13-9-25/h2-5,14,24H,6-13,15H2,1H3
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153n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330718
PNG
(2-(2-chlorophenyl)-4-methyl-5-(3-phenylprop-2-ynyl...)
Show SMILES Cc1n(CC#Cc2ccccc2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C22H16ClN3O2/c1-15-21-18(24-26(22(21)28)19-12-6-5-11-17(19)23)14-20(27)25(15)13-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-12,14,24H,13H2,1H3
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158n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
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


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330736
PNG
(4-((benzyl(methyl)amino)methyl)-2-(2-chloro-4-fluo...)
Show SMILES COCCCn1c(CN(C)Cc2ccccc2)c2c(cc1=O)[nH]n(-c1ccc(F)cc1Cl)c2=O
Show InChI InChI=1S/C25H26ClFN4O3/c1-29(15-17-7-4-3-5-8-17)16-22-24-20(14-23(32)30(22)11-6-12-34-2)28-31(25(24)33)21-10-9-18(27)13-19(21)26/h3-5,7-10,13-14,28H,6,11-12,15-16H2,1-2H3
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165n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
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 NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330741
PNG
(2-(2-chlorophenyl)-4-((methyl(phenyl)amino)methyl)...)
Show SMILES CN(Cc1n(CCc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12)c1ccccc1
Show InChI InChI=1S/C27H24ClN5O2/c1-31(20-10-3-2-4-11-20)18-24-26-22(30-33(27(26)35)23-13-6-5-12-21(23)28)17-25(34)32(24)16-14-19-9-7-8-15-29-19/h2-13,15,17,30H,14,16,18H2,1H3
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172n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330734
PNG
(4-Methyl-2-(2-methylphenyl)-5-(pyridine-2-ylmethyl...)
Show SMILES Cc1ccccc1-n1[nH]c2cc(=O)n(Cc3ccccn3)c(C)c2c1=O
Show InChI InChI=1S/C20H18N4O2/c1-13-7-3-4-9-17(13)24-20(26)19-14(2)23(18(25)11-16(19)22-24)12-15-8-5-6-10-21-15/h3-11,22H,12H2,1-2H3
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173n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330709
PNG
(2-(2-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazo...)
Show SMILES Cc1n(C)c(=O)cc2[nH]n(-c3ccc(F)cc3Cl)c(=O)c12
Show InChI InChI=1S/C14H11ClFN3O2/c1-7-13-10(6-12(20)18(7)2)17-19(14(13)21)11-4-3-8(16)5-9(11)15/h3-6,17H,1-2H3
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213n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330704
PNG
(2-(2-chlorophenyl)-4,5-dimethyl-1H-pyrazolo[4,3-c]...)
Show SMILES Cc1n(C)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C14H12ClN3O2/c1-8-13-10(7-12(19)17(8)2)16-18(14(13)20)11-6-4-3-5-9(11)15/h3-7,16H,1-2H3
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215n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330729
PNG
(2-(2,5-dichlorobenzyl)-4-methyl-5-(pyridin-2-ylmet...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(Cc3cc(Cl)ccc3Cl)c(=O)c12
Show InChI InChI=1S/C20H16Cl2N4O2/c1-12-19-17(9-18(27)25(12)11-15-4-2-3-7-23-15)24-26(20(19)28)10-13-8-14(21)5-6-16(13)22/h2-9,24H,10-11H2,1H3
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218n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330719
PNG
(CHEMBL1276857 | N-(2-(2-chlorophenyl)-4-methyl-3,6...)
Show SMILES Cc1n(NC(=O)COc2ccc(F)cc2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C21H16ClFN4O4/c1-12-20-16(24-27(21(20)30)17-5-3-2-4-15(17)22)10-19(29)26(12)25-18(28)11-31-14-8-6-13(23)7-9-14/h2-10,24H,11H2,1H3,(H,25,28)
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218n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330716
PNG
(2-(2-chlorophenyl)-5-(2-(dimethylamino)ethyl)-4-me...)
Show SMILES CN(C)CCn1c(C)c2c(cc1=O)[nH]n(-c1ccccc1Cl)c2=O
Show InChI InChI=1S/C17H19ClN4O2/c1-11-16-13(10-15(23)21(11)9-8-20(2)3)19-22(17(16)24)14-7-5-4-6-12(14)18/h4-7,10,19H,8-9H2,1-3H3
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235n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330733
PNG
(2-(2-chloro-4-fluorophenyl)-4-methyl-5-(pyridin-2-...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccc(F)cc3Cl)c(=O)c12
Show InChI InChI=1S/C19H14ClFN4O2/c1-11-18-15(9-17(26)24(11)10-13-4-2-3-7-22-13)23-25(19(18)27)16-6-5-12(21)8-14(16)20/h2-9,23H,10H2,1H3
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235n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330723
PNG
(2-(2-chlorophenyl)-4-methyl-5-((6-morpholinopyridi...)
Show SMILES Cc1n(Cc2cccc(n2)N2CCOCC2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C23H22ClN5O3/c1-15-22-18(26-29(23(22)31)19-7-3-2-6-17(19)24)13-21(30)28(15)14-16-5-4-8-20(25-16)27-9-11-32-12-10-27/h2-8,13,26H,9-12,14H2,1H3
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236n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330703
PNG
(1-acetyl-2-(2-chlorophenyl)-4-methyl-5-(pyridin-3-...)
Show SMILES CC(=O)n1n(-c2ccccc2Cl)c(=O)c2c(C)n(Cc3cccnc3)c(=O)cc12 |(50.73,-44.13,;49.97,-42.79,;48.42,-42.78,;50.74,-41.46,;49.84,-40.21,;48.3,-40.21,;47.54,-41.54,;46,-41.55,;45.22,-40.21,;46,-38.87,;47.54,-38.88,;48.31,-37.54,;50.75,-38.97,;50.27,-37.5,;52.21,-39.45,;53.54,-38.67,;53.53,-37.13,;54.88,-39.43,;56.21,-38.66,;57.55,-39.42,;57.55,-40.96,;58.88,-41.73,;60.22,-40.95,;60.21,-39.4,;58.87,-38.64,;54.88,-40.99,;56.22,-41.75,;53.55,-41.76,;52.21,-40.99,)|
Show InChI InChI=1S/C21H17ClN4O3/c1-13-20-18(10-19(28)24(13)12-15-6-5-9-23-11-15)25(14(2)27)26(21(20)29)17-8-4-3-7-16(17)22/h3-11H,12H2,1-2H3
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240n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330732
PNG
(2-(4-chlorobenzyl)-4-methyl-5-(pyridin-2-ylmethyl)...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(Cc3ccc(Cl)cc3)c(=O)c12
Show InChI InChI=1S/C20H17ClN4O2/c1-13-19-17(10-18(26)24(13)12-16-4-2-3-9-22-16)23-25(20(19)27)11-14-5-7-15(21)8-6-14/h2-10,23H,11-12H2,1H3
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259n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330721
PNG
(4-((2-(2-chlorophenyl)-4-methyl-3,6-dioxo-2,3-dihy...)
Show SMILES Cc1n(Cc2ccc(cc2)S(N)(=O)=O)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C20H17ClN4O4S/c1-12-19-16(23-25(20(19)27)17-5-3-2-4-15(17)21)10-18(26)24(12)11-13-6-8-14(9-7-13)30(22,28)29/h2-10,23H,11H2,1H3,(H2,22,28,29)
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259n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330701
PNG
(1-(2-(3-methoxyphenyl)acetyl)-4-methyl-2-phenyl-5-...)
Show SMILES COc1cccc(CC(=O)n2n(-c3ccccc3)c(=O)c3c(C)n(Cc4cccnc4)c(=O)cc23)c1
Show InChI InChI=1S/C28H24N4O4/c1-19-27-24(16-25(33)30(19)18-21-9-7-13-29-17-21)32(31(28(27)35)22-10-4-3-5-11-22)26(34)15-20-8-6-12-23(14-20)36-2/h3-14,16-17H,15,18H2,1-2H3
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285n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330711
PNG
(3-(4,5-dimethyl-3,6-dioxo-5,6-dihydro-1H-pyrazolo[...)
Show SMILES Cc1n(C)c(=O)cc2[nH]n(-c3cccc(c3)C#N)c(=O)c12
Show InChI InChI=1S/C15H12N4O2/c1-9-14-12(7-13(20)18(9)2)17-19(15(14)21)11-5-3-4-10(6-11)8-16/h3-7,17H,1-2H3
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293n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330705
PNG
(2-(2-fluorophenyl)-4,5-dimethyl-1H-pyrazolo[4,3-c]...)
Show SMILES Cc1n(C)c(=O)cc2[nH]n(-c3ccccc3F)c(=O)c12
Show InChI InChI=1S/C14H12FN3O2/c1-8-13-10(7-12(19)17(8)2)16-18(14(13)20)11-6-4-3-5-9(11)15/h3-7,16H,1-2H3
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308n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330725
PNG
(2-(2-methoxyethyl)-4-methyl-5-(pyridin-2-ylmethyl)...)
Show SMILES COCCn1[nH]c2cc(=O)n(Cc3ccccn3)c(C)c2c1=O
Show InChI InChI=1S/C16H18N4O3/c1-11-15-13(18-20(16(15)22)7-8-23-2)9-14(21)19(11)10-12-5-3-4-6-17-12/h3-6,9,18H,7-8,10H2,1-2H3
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313n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330728
PNG
(2-(2-(4-chlorophenoxy)ethyl)-4-methyl-5-(pyridin-2...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(CCOc3ccc(Cl)cc3)c(=O)c12
Show InChI InChI=1S/C21H19ClN4O3/c1-14-20-18(12-19(27)25(14)13-16-4-2-3-9-23-16)24-26(21(20)28)10-11-29-17-7-5-15(22)6-8-17/h2-9,12,24H,10-11,13H2,1H3
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326n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330713
PNG
(CHEMBL1275631 | N-(3-(4,5-dimethyl-3,6-dioxo-5,6-d...)
Show SMILES CC(=O)Nc1cccc(c1)-n1[nH]c2cc(=O)n(C)c(C)c2c1=O
Show InChI InChI=1S/C16H16N4O3/c1-9-15-13(8-14(22)19(9)3)18-20(16(15)23)12-6-4-5-11(7-12)17-10(2)21/h4-8,18H,1-3H3,(H,17,21)
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328n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330727
PNG
(4-methyl-2-phenethyl-5-(pyridin-2-ylmethyl)-1H-pyr...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C21H20N4O2/c1-15-20-18(13-19(26)24(15)14-17-9-5-6-11-22-17)23-25(21(20)27)12-10-16-7-3-2-4-8-16/h2-9,11,13,23H,10,12,14H2,1H3
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334n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330712
PNG
(2-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazolo[4,3-c]...)
Show SMILES Cc1n(C)c(=O)cc2[nH]n(-c3cccc(Cl)c3)c(=O)c12
Show InChI InChI=1S/C14H12ClN3O2/c1-8-13-11(7-12(19)17(8)2)16-18(14(13)20)10-5-3-4-9(15)6-10/h3-7,16H,1-2H3
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340n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330731
PNG
(2-(2-chloro-4-fluorobenzyl)-4-methyl-5-(pyridin-2-...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(Cc3ccc(F)cc3Cl)c(=O)c12
Show InChI InChI=1S/C20H16ClFN4O2/c1-12-19-17(9-18(27)25(12)11-15-4-2-3-7-23-15)24-26(20(19)28)10-13-5-6-14(22)8-16(13)21/h2-9,24H,10-11H2,1H3
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342n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330688
PNG
(4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazo...)
Show SMILES Cc1n(Cc2cccnc2)c(=O)cc2[nH]n(-c3ccccc3)c(=O)c12
Show InChI InChI=1S/C19H16N4O2/c1-13-18-16(21-23(19(18)25)15-7-3-2-4-8-15)10-17(24)22(13)12-14-6-5-9-20-11-14/h2-11,21H,12H2,1H3
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373n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330724
PNG
(2,4-dimethyl-5-(pyridin-2-ylmethyl)-1H-pyrazolo[4,...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(C)c(=O)c12
Show InChI InChI=1S/C14H14N4O2/c1-9-13-11(16-17(2)14(13)20)7-12(19)18(9)8-10-5-3-4-6-15-10/h3-7,16H,8H2,1-2H3
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387n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330702
PNG
(1-acetyl-4-methyl-5-(pyridin-3-ylmethyl)-2-o-tolyl...)
Show SMILES CC(=O)n1n(-c2ccccc2C)c(=O)c2c(C)n(Cc3cccnc3)c(=O)cc12 |(31.69,-42.59,;30.93,-41.25,;29.39,-41.24,;31.71,-39.93,;30.81,-38.68,;29.27,-38.68,;28.51,-40.01,;26.97,-40.01,;26.19,-38.67,;26.97,-37.34,;28.51,-37.34,;29.28,-36.01,;31.72,-37.43,;31.24,-35.97,;33.18,-37.91,;34.51,-37.14,;34.5,-35.6,;35.85,-37.9,;37.18,-37.12,;38.52,-37.89,;38.52,-39.43,;39.85,-40.19,;41.18,-39.42,;41.17,-37.87,;39.84,-37.11,;35.85,-39.45,;37.19,-40.22,;34.51,-40.22,;33.18,-39.45,)|
Show InChI InChI=1S/C22H20N4O3/c1-14-7-4-5-9-18(14)26-22(29)21-15(2)24(13-17-8-6-10-23-12-17)20(28)11-19(21)25(26)16(3)27/h4-12H,13H2,1-3H3
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398n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330694
PNG
(1-acetyl-4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-...)
Show SMILES CC(=O)n1n(-c2ccccc2)c(=O)c2c(C)n(Cc3cccnc3)c(=O)cc12
Show InChI InChI=1S/C21H18N4O3/c1-14-20-18(11-19(27)23(14)13-16-7-6-10-22-12-16)24(15(2)26)25(21(20)28)17-8-4-3-5-9-17/h3-12H,13H2,1-2H3
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409n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330717
PNG
(2-(2-chlorophenyl)-4-methyl-5-(4-(4-methylpiperazi...)
Show SMILES CN1CCN(CC1)C(=O)CCCn1c(C)c2c(cc1=O)[nH]n(-c1ccccc1Cl)c2=O
Show InChI InChI=1S/C22H26ClN5O3/c1-15-21-17(24-28(22(21)31)18-7-4-3-6-16(18)23)14-20(30)27(15)9-5-8-19(29)26-12-10-25(2)11-13-26/h3-4,6-7,14,24H,5,8-13H2,1-2H3
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428n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330726
PNG
(4-methyl-2-(2-morpholinoethyl)-5-(pyridin-2-ylmeth...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(CCN3CCOCC3)c(=O)c12
Show InChI InChI=1S/C19H23N5O3/c1-14-18-16(12-17(25)23(14)13-15-4-2-3-5-20-15)21-24(19(18)26)7-6-22-8-10-27-11-9-22/h2-5,12,21H,6-11,13H2,1H3
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445n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330735
PNG
(2-(7-chloroquinolin-4-yl)-4-methyl-5-(pyridin-2-yl...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccnc4cc(Cl)ccc34)c(=O)c12
Show InChI InChI=1S/C22H16ClN5O2/c1-13-21-18(11-20(29)27(13)12-15-4-2-3-8-24-15)26-28(22(21)30)19-7-9-25-17-10-14(23)5-6-16(17)19/h2-11,26H,12H2,1H3
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458n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330730
PNG
(2-benzyl-4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrazo...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(Cc3ccccc3)c(=O)c12
Show InChI InChI=1S/C20H18N4O2/c1-14-19-17(11-18(25)23(14)13-16-9-5-6-10-21-16)22-24(20(19)26)12-15-7-3-2-4-8-15/h2-11,22H,12-13H2,1H3
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463n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330720
PNG
(2-(2-chlorophenyl)-4-methyl-5-(4-((4-methylpiperaz...)
Show SMILES CN1CCN(Cc2ccc(Cn3c(C)c4c(cc3=O)[nH]n(-c3ccccc3Cl)c4=O)cc2)CC1
Show InChI InChI=1S/C26H28ClN5O2/c1-18-25-22(28-32(26(25)34)23-6-4-3-5-21(23)27)15-24(33)31(18)17-20-9-7-19(8-10-20)16-30-13-11-29(2)12-14-30/h3-10,15,28H,11-14,16-17H2,1-2H3
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515n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330714
PNG
(2-(2-chlorophenyl)-5-(cyclohexylmethyl)-4-methyl-1...)
Show SMILES Cc1n(CC2CCCCC2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C20H22ClN3O2/c1-13-19-16(11-18(25)23(13)12-14-7-3-2-4-8-14)22-24(20(19)26)17-10-6-5-9-15(17)21/h5-6,9-11,14,22H,2-4,7-8,12H2,1H3
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520n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330715
PNG
(2-(2-chlorophenyl)-5-(3-hydroxypropyl)-4-methyl-1H...)
Show SMILES Cc1n(CCCO)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C16H16ClN3O3/c1-10-15-12(9-14(22)19(10)7-4-8-21)18-20(16(15)23)13-6-3-2-5-11(13)17/h2-3,5-6,9,18,21H,4,7-8H2,1H3
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565n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330692
PNG
(5-benzyl-2-(4-fluorophenyl)-4-methyl-1H-pyrazolo[4...)
Show SMILES Cc1n(Cc2ccccc2)c(=O)cc2[nH]n(-c3ccc(F)cc3)c(=O)c12
Show InChI InChI=1S/C20H16FN3O2/c1-13-19-17(11-18(25)23(13)12-14-5-3-2-4-6-14)22-24(20(19)26)16-9-7-15(21)8-10-16/h2-11,22H,12H2,1H3
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878n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330691
PNG
(2-(benzo[d]thiazol-2-yl)-4-methyl-5-morpholino-1H-...)
Show SMILES Cc1n(N2CCOCC2)c(=O)cc2[nH]n(-c3nc4ccccc4s3)c(=O)c12
Show InChI InChI=1S/C18H17N5O3S/c1-11-16-13(10-15(24)23(11)21-6-8-26-9-7-21)20-22(17(16)25)18-19-12-4-2-3-5-14(12)27-18/h2-5,10,20H,6-9H2,1H3
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1.21E+3n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330707
PNG
(4,5-dimethyl-2-(5-(4-methylpiperazin-1-ylsulfonyl)...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(nc1)-n1[nH]c2cc(=O)n(C)c(C)c2c1=O
Show InChI InChI=1S/C18H22N6O4S/c1-12-17-14(10-16(25)22(12)3)20-24(18(17)26)15-5-4-13(11-19-15)29(27,28)23-8-6-21(2)7-9-23/h4-5,10-11,20H,6-9H2,1-3H3
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1.42E+3n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
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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1.53E+3n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX2 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50330685
PNG
(5-(2-(1H-indol-3-yl)ethyl)-2-(benzo[d]thiazol-2-yl...)
Show SMILES Cc1n(CCc2c[nH]c3ccccc23)c(=O)cc2[nH]n(-c3nc4ccccc4s3)c(=O)c12
Show InChI InChI=1S/C24H19N5O2S/c1-14-22-19(27-29(23(22)31)24-26-18-8-4-5-9-20(18)32-24)12-21(30)28(14)11-10-15-13-25-17-7-3-2-6-16(15)17/h2-9,12-13,25,27H,10-11H2,1H3
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1.85E+3n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)


Article DOI: 10.1021/jm100773e
BindingDB Entry DOI: 10.7270/Q2KH0NKJ
More data for this
Ligand-Target Pair
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