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Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with Target = 'NADPH oxidase 5' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NADPH oxidase 5


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


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 5


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


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 5


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


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 5


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


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 5


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


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 5


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


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 5


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


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 5


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


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens)
BDBM50359528
PNG
(CHEMBL1927149)
Show SMILES Clc1ccccc1CN1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O
Show InChI InChI=1S/C23H20Cl2N4O2/c24-16-7-2-1-6-15(16)13-27-10-5-11-28-20(14-27)22-18(12-21(28)30)26-29(23(22)31)19-9-4-3-8-17(19)25/h1-4,6-9,12,26H,5,10-11,13-14H2
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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


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 5


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


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 5


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


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 5


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


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 5


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


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 5


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


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 5


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


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 5


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


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 5


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


Citation and Details
More data for this
Ligand-Target Pair