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Compile Data Set for Download or QSAR

Found 67 hits Enz. Inhib. hit(s) with Target = 'Cytochrome b-245 heavy chain'   
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
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
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
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
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
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
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
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
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
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
Cytochrome b-245 heavy chain


(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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4.72E+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
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM318936
PNG
(US10173988, Compound A)
Show SMILES COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1
Show InChI InChI=1S/C23H29N7O/c1-16-7-8-18(13-17(16)2)25-23-27-21(26-22(24)28-23)15-29-9-11-30(12-10-29)19-5-4-6-20(14-19)31-3/h4-8,13-14H,9-12,15H2,1-3H3,(H3,24,25,26,27,28)
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n/an/a 1.68E+3n/an/an/an/an/an/a



GLUCOX BIOTECH AB

US Patent


Assay Description
Cells: Human blood was purchased in buffy coat, prepared the same day for isolation of neutrophils, from Labjoy AB, Lund, Sweden. Blood components we...


US Patent US10173988 (2019)

More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM42323
PNG
(1-(10H-phenothiazin-2-yl)ethanone | MLS000047624 |...)
Show SMILES CC(=O)c1ccc2Sc3ccccc3Nc2c1
Show InChI InChI=1S/C14H11NOS/c1-9(16)10-6-7-14-12(8-10)15-11-4-2-3-5-13(11)17-14/h2-8,15H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25719HD
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM65841
PNG
(2-(trifluoromethyl)-10H-phenothiazine | SR-0100044...)
Show SMILES FC(F)(F)c1ccc2Sc3ccccc3Nc2c1
Show InChI InChI=1S/C13H8F3NS/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)18-12/h1-7,17H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25719HD
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM71623
PNG
(3,5-bis(chloranyl)-N-[(E)-[4-(dimethylamino)phenyl...)
Show SMILES CN(C)c1ccc(CN=Nc2c(Cl)cncc2Cl)cc1
Show InChI InChI=1S/C14H14Cl2N4/c1-20(2)11-5-3-10(4-6-11)7-18-19-14-12(15)8-17-9-13(14)16/h3-6,8-9H,7H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25719HD
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM318939
PNG
(US10173988, Compound D)
Show SMILES Cc1ccc(Nc2nc(N)nc(CN3CCN(CC3)c3ccc(Cl)cc3)n2)cc1C
Show InChI InChI=1S/C22H26ClN7/c1-15-3-6-18(13-16(15)2)25-22-27-20(26-21(24)28-22)14-29-9-11-30(12-10-29)19-7-4-17(23)5-8-19/h3-8,13H,9-12,14H2,1-2H3,(H3,24,25,26,27,28)
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GLUCOX BIOTECH AB

US Patent


Assay Description
Cells: Human blood was purchased in buffy coat, prepared the same day for isolation of neutrophils, from Labjoy AB, Lund, Sweden. Blood components we...


US Patent US10173988 (2019)

More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM318940
PNG
(US10173988, Compound inventive)
Show SMILES Cc1ccc(cc1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1
Show InChI InChI=1S/C23H29N7/c1-16-4-8-20(9-5-16)30-12-10-29(11-13-30)15-21-26-22(24)28-23(27-21)25-19-7-6-17(2)18(3)14-19/h4-9,14H,10-13,15H2,1-3H3,(H3,24,25,26,27,28)
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GLUCOX BIOTECH AB

US Patent


Assay Description
Cells: Human blood was purchased in buffy coat, prepared the same day for isolation of neutrophils, from Labjoy AB, Lund, Sweden. Blood components we...


US Patent US10173988 (2019)

More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM318937
PNG
(US10173988, Compound B)
Show SMILES COc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)CC1
Show InChI InChI=1S/C22H26ClN7O/c1-15-6-7-16(12-19(15)23)25-22-27-20(26-21(24)28-22)14-29-8-10-30(11-9-29)17-4-3-5-18(13-17)31-2/h3-7,12-13H,8-11,14H2,1-2H3,(H3,24,25,26,27,28)
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GLUCOX BIOTECH AB

US Patent


Assay Description
Cells: Human blood was purchased in buffy coat, prepared the same day for isolation of neutrophils, from Labjoy AB, Lund, Sweden. Blood components we...


US Patent US10173988 (2019)

More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM67509
PNG
(2,6-dibromo-4-[[(3,5-dichloro-4-pyridinyl)hydrazo]...)
Show SMILES Oc1c(Br)cc(CN=Nc2c(Cl)cncc2Cl)cc1Br
Show InChI InChI=1S/C12H7Br2Cl2N3O/c13-7-1-6(2-8(14)12(7)20)3-18-19-11-9(15)4-17-5-10(11)16/h1-2,4-5,20H,3H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25719HD
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM318938
PNG
(US10173988, Compound C)
Show SMILES Cc1cccc(c1)N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1
Show InChI InChI=1S/C23H29N7/c1-16-5-4-6-20(13-16)30-11-9-29(10-12-30)15-21-26-22(24)28-23(27-21)25-19-8-7-17(2)18(3)14-19/h4-8,13-14H,9-12,15H2,1-3H3,(H3,24,25,26,27,28)
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GLUCOX BIOTECH AB

US Patent


Assay Description
Cells: Human blood was purchased in buffy coat, prepared the same day for isolation of neutrophils, from Labjoy AB, Lund, Sweden. Blood components we...


US Patent US10173988 (2019)

More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244067
PNG
(US9428478, TG6-120-4)
Show SMILES CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H23N3O3/c1-15(24)16-2-4-17(5-3-16)21-14-20(26)23-12-10-22(11-13-23)18-6-8-19(25)9-7-18/h2-9,21,25H,10-14H2,1H3
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244061
PNG
(US9428478, TG6-144-2)
Show SMILES CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccc(N)cc2)cc1
Show InChI InChI=1S/C20H24N4O2/c1-15(25)16-2-6-18(7-3-16)22-14-20(26)24-12-10-23(11-13-24)19-8-4-17(21)5-9-19/h2-9,22H,10-14,21H2,1H3
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244081
PNG
(US9428478, TG6-222)
Show SMILES COC(=O)c1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccc(OC)cc1
Show InChI InChI=1S/C22H23N3O4/c1-28-18-6-4-17(5-7-18)24-9-11-25(12-10-24)21(26)20-14-16-13-15(22(27)29-2)3-8-19(16)23-20/h3-8,13-14,23H,9-12H2,1-2H3
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244054
PNG
(US9428478, TG2-150)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C21H25N3O3/c1-16(25)17-3-5-18(6-4-17)22-15-21(26)24-13-11-23(12-14-24)19-7-9-20(27-2)10-8-19/h3-10,22H,11-15H2,1-2H3
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244069
PNG
(US9428478, TG6-161)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(C)=O
Show InChI InChI=1S/C22H23N3O3/c1-15(26)16-3-8-20-17(13-16)14-21(23-20)22(27)25-11-9-24(10-12-25)18-4-6-19(28-2)7-5-18/h3-8,13-14,23H,9-12H2,1-2H3
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244086
PNG
(US9428478, TG6-236)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(O)=O
Show InChI InChI=1S/C21H21N3O4/c1-28-17-5-3-16(4-6-17)23-8-10-24(11-9-23)20(25)19-13-15-12-14(21(26)27)2-7-18(15)22-19/h2-7,12-13,22H,8-11H2,1H3,(H,26,27)
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244076
PNG
(US9428478, TG6-199)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C20H21N3O3/c1-26-17-5-2-15(3-6-17)22-8-10-23(11-9-22)20(25)19-13-14-12-16(24)4-7-18(14)21-19/h2-7,12-13,21,24H,8-11H2,1H3
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244082
PNG
(US9428478, TG6-223)
Show SMILES CNC(=O)c1ccc2[nH]c(cc2c1)C(=O)N1CCN(CC1)c1ccc(OC)cc1
Show InChI InChI=1S/C22H24N4O3/c1-23-21(27)15-3-8-19-16(13-15)14-20(24-19)22(28)26-11-9-25(10-12-26)17-4-6-18(29-2)7-5-17/h3-8,13-14,24H,9-12H2,1-2H3,(H,23,27)
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244080
PNG
(US9428478, TG6-225)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C20H21N3O2/c1-25-17-8-6-16(7-9-17)22-10-12-23(13-11-22)20(24)19-14-15-4-2-3-5-18(15)21-19/h2-9,14,21H,10-13H2,1H3
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244070
PNG
(US9428478, TG6-179-2)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C21H23N3O3/c1-26-17-5-3-16(4-6-17)23-9-11-24(12-10-23)21(25)20-14-15-13-18(27-2)7-8-19(15)22-20/h3-8,13-14,22H,9-12H2,1-2H3
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244065
PNG
(US9428478, TG2-171-1)
Show SMILES CC(=O)c1ccc(NCC(=O)N2CCN(CC2)c2ccccc2O)cc1
Show InChI InChI=1S/C20H23N3O3/c1-15(24)16-6-8-17(9-7-16)21-14-20(26)23-12-10-22(11-13-23)18-4-2-3-5-19(18)25/h2-9,21,25H,10-14H2,1H3
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US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244057
PNG
(US9428478, TG6-153)
Show SMILES CCOc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C22H27N3O3/c1-3-28-21-10-8-20(9-11-21)24-12-14-25(15-13-24)22(27)16-23-19-6-4-18(5-7-19)17(2)26/h4-11,23H,3,12-16H2,1-2H3
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244055
PNG
(US9428478, TG6-140)
Show SMILES COc1ccc(cc1)N1CCN(CC1C)C(=O)CNc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C22H27N3O3/c1-16-15-24(12-13-25(16)20-8-10-21(28-3)11-9-20)22(27)14-23-19-6-4-18(5-7-19)17(2)26/h4-11,16,23H,12-15H2,1-3H3
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244058
PNG
(US9428478, TG6-158)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(F)c(F)c1
Show InChI InChI=1S/C19H21F2N3O2/c1-26-16-5-3-15(4-6-16)23-8-10-24(11-9-23)19(25)13-22-14-2-7-17(20)18(21)12-14/h2-7,12,22H,8-11,13H2,1H3
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Emory University

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Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244071
PNG
(US9428478, TG6-179-3)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1nc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C19H19FN4O2/c1-26-15-5-3-14(4-6-15)23-8-10-24(11-9-23)19(25)18-21-16-7-2-13(20)12-17(16)22-18/h2-7,12H,8-11H2,1H3,(H,21,22)
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Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244083
PNG
(US9428478, TG6-227)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(N)=O
Show InChI InChI=1S/C21H22N4O3/c1-28-17-5-3-16(4-6-17)24-8-10-25(11-9-24)21(27)19-13-15-12-14(20(22)26)2-7-18(15)23-19/h2-7,12-13,23H,8-11H2,1H3,(H2,22,26)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 7.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244077
PNG
(US9428478, TG6-200)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1[nH]c2ccc(F)cc2c1C
Show InChI InChI=1S/C21H22FN3O2/c1-14-18-13-15(22)3-8-19(18)23-20(14)21(26)25-11-9-24(10-12-25)16-4-6-17(27-2)7-5-16/h3-8,13,23H,9-12H2,1-2H3
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 7.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244087
PNG
(US9428478, TG6-238)
Show SMILES CCOc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(C)=O
Show InChI InChI=1S/C23H25N3O3/c1-3-29-20-7-5-19(6-8-20)25-10-12-26(13-11-25)23(28)22-15-18-14-17(16(2)27)4-9-21(18)24-22/h4-9,14-15,24H,3,10-13H2,1-2H3
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 8.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244072
PNG
(US9428478, TG6-181)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2cc(OC)c(OC)cc2[nH]1
Show InChI InChI=1S/C22H25N3O4/c1-27-17-6-4-16(5-7-17)24-8-10-25(11-9-24)22(26)19-12-15-13-20(28-2)21(29-3)14-18(15)23-19/h4-7,12-14,23H,8-11H2,1-3H3
PDB

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UniChem
US Patent
n/an/a 8.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244089
PNG
(US9428478, TG6-242)
Show SMILES CCOc1ccc(cc1)N1CCN(CC1)C(=O)c1nc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C20H21FN4O2/c1-2-27-16-6-4-15(5-7-16)24-9-11-25(12-10-24)20(26)19-22-17-8-3-14(21)13-18(17)23-19/h3-8,13H,2,9-12H2,1H3,(H,22,23)
PDB

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UniChem
US Patent
n/an/a 8.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244056
PNG
(US9428478, TG6-149)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1ccc(cc1)C(C)C
Show InChI InChI=1S/C22H29N3O2/c1-17(2)18-4-6-19(7-5-18)23-16-22(26)25-14-12-24(13-15-25)20-8-10-21(27-3)11-9-20/h4-11,17,23H,12-16H2,1-3H3
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 8.00E+8n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM244059
PNG
(US9428478, TG6-167-2)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)CNc1cccc(F)c1
Show InChI InChI=1S/C19H22FN3O2/c1-25-18-7-5-17(6-8-18)22-9-11-23(12-10-22)19(24)14-21-16-4-2-3-15(20)13-16/h2-8,13,21H,9-12,14H2,1H3
PDB

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PC sid
UniChem
US Patent
n/an/a 1.00E+9n/an/an/an/an/an/a



Emory University

US Patent


Assay Description
Nox2 activity assay for primary screening: Plasma membranes were prepared from human neutrophils, which express large amounts of Nox2, stored at W...


US Patent US9428478 (2016)


BindingDB Entry DOI: 10.7270/Q2RX9B09
More data for this
Ligand-Target Pair
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