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PubMed code 22041175

Compile data set for download or QSAR
Found 74 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 4


(Homo sapiens (Human))		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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 67n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))		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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 72n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))		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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 76n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))		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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 87n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))		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 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))		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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 93n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))		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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 94n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))		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 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))		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 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))		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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 101n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))		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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 103n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))		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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 103n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))		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 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))		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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 111n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))		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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 111n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))		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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 112n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))		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 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))		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 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))		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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 116n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))		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 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))		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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 131n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))		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 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))		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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 142n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))		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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 144n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))		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 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))		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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 156n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX4 expressed in CHO cell membrane coexpressing tetracylin repressor assessed as inhibition of ROS production after 20 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))		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 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))		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 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))		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 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))		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 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))		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 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))		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 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))		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 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))		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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 360n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX5 assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		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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 365n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))		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 ...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))		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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 414n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX5 assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		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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 433n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))		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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 475n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX5 assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))		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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 490n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX5 assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		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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 510n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))		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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 543n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX5 assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))		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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 585n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX5 assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))		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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 590n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX5 assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))		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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 610n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX5 assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))		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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 615n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX5 assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		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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 645n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))		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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 670n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX5 assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))		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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 690n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX5 assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))		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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 690n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX5 assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))		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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 730n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX5 assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))		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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 740n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX5 assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		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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 780n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		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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 820n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))		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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 955n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX5 assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		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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 1.02E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		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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 1.14E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		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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 1.15E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))		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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 1.15E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX5 assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		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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 1.16E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		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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 1.20E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		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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 1.26E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		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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 1.28E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		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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 1.34E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		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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 1.37E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))		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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 1.43E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX5 assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		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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 1.76E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		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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 2.02E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		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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>3.00E+4n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase assessed as inhibition of ROS production after 20 mins by cell-free amplex red assay

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		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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n/an/a>2.50E+4n/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C19 by mass spectrophotometry

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		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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n/an/a>2.50E+4n/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 by mass spectrophotometry

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		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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n/an/a>2.50E+4n/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2D6 by mass spectrophotometry

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		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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n/an/a>2.50E+4n/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2C9 by mass spectrophotometry

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		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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n/an/a>2.50E+4n/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP1A2 assessed as inhibition of fluorescent metabolite formation

Bioorg Med Chem 19: 6989-99 (2011)


Article DOI: 10.1016/j.bmc.2011.10.016
BindingDB Entry DOI: 10.7270/Q2ZP46JC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%