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Compile Data Set for Download or QSAR

Found 79 hits Enz. Inhib. hit(s) with all data for entry = 50006151   
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))
BDBM50497270
PNG
(CHEMBL3347551)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccs1)c1c(Br)cccc21 |r,TLB:21:20:3.2:13.8,9:8:3.2:26.20,THB:14:13:3.2:26.20|
Show InChI InChI=1S/C22H26BrNS/c1-14(2)11-18-21-20-16(8-5-9-17(20)23)19(12-22(21,3)4)24(18)13-15-7-6-10-25-15/h5-10,18-19,21H,1,11-13H2,2-4H3/t18-,19-,21-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of lithium dodecyl sulphate-stimulated ROS generation preincu...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497271
PNG
(CHEMBL3347550)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1CCCCC)c1c(Br)cccc21 |r,TLB:9:8:19.25:3.2,20:19:13.8:3.2,THB:14:13:19.25:3.2|
Show InChI InChI=1S/C22H32BrN/c1-6-7-8-12-24-18(13-15(2)3)21-20-16(10-9-11-17(20)23)19(24)14-22(21,4)5/h9-11,18-19,21H,2,6-8,12-14H2,1,3-5H3/t18-,19-,21-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of lithium dodecyl sulphate-stimulated ROS generation preincu...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497263
PNG
(CHEMBL3347554)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(cccc21)-c1ccc(Cl)c(Cl)c1 |r,TLB:15:14:3.2:13.8,9:8:3.2:19.14|
Show InChI InChI=1S/C23H25Cl2N/c1-13(2)10-19-22-21-15(14-8-9-17(24)18(25)11-14)6-5-7-16(21)20(26-19)12-23(22,3)4/h5-9,11,19-20,22,26H,1,10,12H2,2-4H3/t19-,20-,22-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497272
PNG
(CHEMBL3347543)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cc(C)on1)c1c(Br)cccc21 |r,TLB:22:21:3.2:13.8,9:8:3.2:27.21,THB:14:13:3.2:27.21|
Show InChI InChI=1S/C22H27BrN2O/c1-13(2)9-18-21-20-16(7-6-8-17(20)23)19(11-22(21,4)5)25(18)12-15-10-14(3)26-24-15/h6-8,10,18-19,21H,1,9,11-12H2,2-5H3/t18-,19-,21-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))
BDBM50497263
PNG
(CHEMBL3347554)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(cccc21)-c1ccc(Cl)c(Cl)c1 |r,TLB:15:14:3.2:13.8,9:8:3.2:19.14|
Show InChI InChI=1S/C23H25Cl2N/c1-13(2)10-19-22-21-15(14-8-9-17(24)18(25)11-14)6-5-7-16(21)20(26-19)12-23(22,3)4/h5-9,11,19-20,22,26H,1,10,12H2,2-4H3/t19-,20-,22-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX5 transfected in HEK cells assessed as inhibition of ionomycin-stimulated ROS generation by chemiluminescence assa...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))
BDBM50497257
PNG
(CHEMBL3347502)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)C)N1)c1c(Br)cccc21 |r,TLB:15:14:3.2:13.8,9:8:3.2:20.14|
Show InChI InChI=1S/C17H24BrN/c1-10(2)8-13-16-15-11(6-5-7-12(15)18)14(19-13)9-17(16,3)4/h5-7,10,13-14,16,19H,8-9H2,1-4H3/t13-,14-,16-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX5 transfected in HEK cells assessed as inhibition of ionomycin-stimulated ROS generation by chemiluminescence assa...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))
BDBM50497268
PNG
(CHEMBL3347491)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(Br)cccc21 |r,TLB:15:14:3.2:13.8,9:8:3.2:20.14|
Show InChI InChI=1S/C17H22BrN/c1-10(2)8-13-16-15-11(6-5-7-12(15)18)14(19-13)9-17(16,3)4/h5-7,13-14,16,19H,1,8-9H2,2-4H3/t13-,14-,16-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX5 transfected in HEK cells assessed as inhibition of ionomycin-stimulated ROS generation by chemiluminescence assa...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497271
PNG
(CHEMBL3347550)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1CCCCC)c1c(Br)cccc21 |r,TLB:9:8:19.25:3.2,20:19:13.8:3.2,THB:14:13:19.25:3.2|
Show InChI InChI=1S/C22H32BrN/c1-6-7-8-12-24-18(13-15(2)3)21-20-16(10-9-11-17(20)23)19(24)14-22(21,4)5/h9-11,18-19,21H,2,6-8,12-14H2,1,3-5H3/t18-,19-,21-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497271
PNG
(CHEMBL3347550)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1CCCCC)c1c(Br)cccc21 |r,TLB:9:8:19.25:3.2,20:19:13.8:3.2,THB:14:13:19.25:3.2|
Show InChI InChI=1S/C22H32BrN/c1-6-7-8-12-24-18(13-15(2)3)21-20-16(10-9-11-17(20)23)19(24)14-22(21,4)5/h9-11,18-19,21H,2,6-8,12-14H2,1,3-5H3/t18-,19-,21-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497262
PNG
(CHEMBL3347492)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(Br)ccc(Br)c21 |r,TLB:15:14:3.2:13.8,9:8:3.2:21.14|
Show InChI InChI=1S/C17H21Br2N/c1-9(2)7-12-16-15-11(19)6-5-10(18)14(15)13(20-12)8-17(16,3)4/h5-6,12-13,16,20H,1,7-8H2,2-4H3/t12-,13-,16-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497273
PNG
(CHEMBL3347583)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1S(C)(=O)=O)c1c(Br)cccc21 |r,TLB:9:8:3.2:24.18,19:18:3.2:13.8,THB:14:13:3.2:24.18|
Show InChI InChI=1S/C18H24BrNO2S/c1-11(2)9-14-17-16-12(7-6-8-13(16)19)15(10-18(17,3)4)20(14)23(5,21)22/h6-8,14-15,17H,1,9-10H2,2-5H3/t14-,15-,17-/m0/s1
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497265
PNG
(CHEMBL3347503)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1ccccc21 |r,TLB:23:22:3.2:13.8,9:8:3.2:27.22,THB:14:13:3.2:27.22|
Show InChI InChI=1S/C24H28FN/c1-16(2)12-21-23-20-11-6-5-10-19(20)22(14-24(23,3)4)26(21)15-17-8-7-9-18(25)13-17/h5-11,13,21-23H,1,12,14-15H2,2-4H3/t21-,22-,23+/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497257
PNG
(CHEMBL3347502)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)C)N1)c1c(Br)cccc21 |r,TLB:15:14:3.2:13.8,9:8:3.2:20.14|
Show InChI InChI=1S/C17H24BrN/c1-10(2)8-13-16-15-11(6-5-7-12(15)18)14(19-13)9-17(16,3)4/h5-7,10,13-14,16,19H,8-9H2,1-4H3/t13-,14-,16-/m0/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))
BDBM50497272
PNG
(CHEMBL3347543)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cc(C)on1)c1c(Br)cccc21 |r,TLB:22:21:3.2:13.8,9:8:3.2:27.21,THB:14:13:3.2:27.21|
Show InChI InChI=1S/C22H27BrN2O/c1-13(2)9-18-21-20-16(7-6-8-17(20)23)19(11-22(21,4)5)25(18)12-15-10-14(3)26-24-15/h6-8,10,18-19,21H,1,9,11-12H2,2-5H3/t18-,19-,21-/m0/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX5 transfected in HEK cells assessed as inhibition of ionomycin-stimulated ROS generation by chemiluminescence assa...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50497268
PNG
(CHEMBL3347491)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(Br)cccc21 |r,TLB:15:14:3.2:13.8,9:8:3.2:20.14|
Show InChI InChI=1S/C17H22BrN/c1-10(2)8-13-16-15-11(6-5-7-12(15)18)14(19-13)9-17(16,3)4/h5-7,13-14,16,19H,1,8-9H2,2-4H3/t13-,14-,16-/m0/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX1 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50497257
PNG
(CHEMBL3347502)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)C)N1)c1c(Br)cccc21 |r,TLB:15:14:3.2:13.8,9:8:3.2:20.14|
Show InChI InChI=1S/C17H24BrN/c1-10(2)8-13-16-15-11(6-5-7-12(15)18)14(19-13)9-17(16,3)4/h5-7,10,13-14,16,19H,8-9H2,1-4H3/t13-,14-,16-/m0/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX1 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497270
PNG
(CHEMBL3347551)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccs1)c1c(Br)cccc21 |r,TLB:21:20:3.2:13.8,9:8:3.2:26.20,THB:14:13:3.2:26.20|
Show InChI InChI=1S/C22H26BrNS/c1-14(2)11-18-21-20-16(8-5-9-17(20)23)19(12-22(21,3)4)24(18)13-15-7-6-10-25-15/h5-10,18-19,21H,1,11-13H2,2-4H3/t18-,19-,21-/m0/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))
BDBM50497262
PNG
(CHEMBL3347492)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(Br)ccc(Br)c21 |r,TLB:15:14:3.2:13.8,9:8:3.2:21.14|
Show InChI InChI=1S/C17H21Br2N/c1-9(2)7-12-16-15-11(19)6-5-10(18)14(15)13(20-12)8-17(16,3)4/h5-6,12-13,16,20H,1,7-8H2,2-4H3/t12-,13-,16-/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX5 transfected in HEK cells assessed as inhibition of ionomycin-stimulated ROS generation by chemiluminescence assa...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497270
PNG
(CHEMBL3347551)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccs1)c1c(Br)cccc21 |r,TLB:21:20:3.2:13.8,9:8:3.2:26.20,THB:14:13:3.2:26.20|
Show InChI InChI=1S/C22H26BrNS/c1-14(2)11-18-21-20-16(8-5-9-17(20)23)19(12-22(21,3)4)24(18)13-15-7-6-10-25-15/h5-10,18-19,21H,1,11-13H2,2-4H3/t18-,19-,21-/m0/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497262
PNG
(CHEMBL3347492)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(Br)ccc(Br)c21 |r,TLB:15:14:3.2:13.8,9:8:3.2:21.14|
Show InChI InChI=1S/C17H21Br2N/c1-9(2)7-12-16-15-11(19)6-5-10(18)14(15)13(20-12)8-17(16,3)4/h5-6,12-13,16,20H,1,7-8H2,2-4H3/t12-,13-,16-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497268
PNG
(CHEMBL3347491)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(Br)cccc21 |r,TLB:15:14:3.2:13.8,9:8:3.2:20.14|
Show InChI InChI=1S/C17H22BrN/c1-10(2)8-13-16-15-11(6-5-7-12(15)18)14(19-13)9-17(16,3)4/h5-7,13-14,16,19H,1,8-9H2,2-4H3/t13-,14-,16-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497259
PNG
(CHEMBL3347542)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1ccc3OCOc3c1)c1c(Br)cccc21 |r,TLB:25:24:3.2:13.8,9:8:3.2:30.24,THB:14:13:3.2:30.24|
Show InChI InChI=1S/C25H28BrNO2/c1-15(2)10-19-24-23-17(6-5-7-18(23)26)20(12-25(24,3)4)27(19)13-16-8-9-21-22(11-16)29-14-28-21/h5-9,11,19-20,24H,1,10,12-14H2,2-4H3/t19-,20-,24-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497268
PNG
(CHEMBL3347491)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(Br)cccc21 |r,TLB:15:14:3.2:13.8,9:8:3.2:20.14|
Show InChI InChI=1S/C17H22BrN/c1-10(2)8-13-16-15-11(6-5-7-12(15)18)14(19-13)9-17(16,3)4/h5-7,13-14,16,19H,1,8-9H2,2-4H3/t13-,14-,16-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497272
PNG
(CHEMBL3347543)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cc(C)on1)c1c(Br)cccc21 |r,TLB:22:21:3.2:13.8,9:8:3.2:27.21,THB:14:13:3.2:27.21|
Show InChI InChI=1S/C22H27BrN2O/c1-13(2)9-18-21-20-16(7-6-8-17(20)23)19(11-22(21,4)5)25(18)12-15-10-14(3)26-24-15/h6-8,10,18-19,21H,1,9,11-12H2,2-5H3/t18-,19-,21-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))
BDBM50497265
PNG
(CHEMBL3347503)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1ccccc21 |r,TLB:23:22:3.2:13.8,9:8:3.2:27.22,THB:14:13:3.2:27.22|
Show InChI InChI=1S/C24H28FN/c1-16(2)12-21-23-20-11-6-5-10-19(20)22(14-24(23,3)4)26(21)15-17-8-7-9-18(25)13-17/h5-11,13,21-23H,1,12,14-15H2,2-4H3/t21-,22-,23+/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX5 transfected in HEK cells assessed as inhibition of ionomycin-stimulated ROS generation by chemiluminescence assa...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497261
PNG
(CHEMBL3347549)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1c(Br)cccc21 |r,TLB:23:22:3.2:13.8,9:8:3.2:28.22,THB:14:13:3.2:28.22|
Show InChI InChI=1S/C24H27BrFN/c1-15(2)11-20-23-22-18(9-6-10-19(22)25)21(13-24(23,3)4)27(20)14-16-7-5-8-17(26)12-16/h5-10,12,20-21,23H,1,11,13-14H2,2-4H3/t20-,21-,23-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50497262
PNG
(CHEMBL3347492)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(Br)ccc(Br)c21 |r,TLB:15:14:3.2:13.8,9:8:3.2:21.14|
Show InChI InChI=1S/C17H21Br2N/c1-9(2)7-12-16-15-11(19)6-5-10(18)14(15)13(20-12)8-17(16,3)4/h5-6,12-13,16,20H,1,7-8H2,2-4H3/t12-,13-,16-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX1 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497263
PNG
(CHEMBL3347554)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(cccc21)-c1ccc(Cl)c(Cl)c1 |r,TLB:15:14:3.2:13.8,9:8:3.2:19.14|
Show InChI InChI=1S/C23H25Cl2N/c1-13(2)10-19-22-21-15(14-8-9-17(24)18(25)11-14)6-5-7-16(21)20(26-19)12-23(22,3)4/h5-9,11,19-20,22,26H,1,10,12H2,2-4H3/t19-,20-,22-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497265
PNG
(CHEMBL3347503)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1ccccc21 |r,TLB:23:22:3.2:13.8,9:8:3.2:27.22,THB:14:13:3.2:27.22|
Show InChI InChI=1S/C24H28FN/c1-16(2)12-21-23-20-11-6-5-10-19(20)22(14-24(23,3)4)26(21)15-17-8-7-9-18(25)13-17/h5-11,13,21-23H,1,12,14-15H2,2-4H3/t21-,22-,23+/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497261
PNG
(CHEMBL3347549)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1c(Br)cccc21 |r,TLB:23:22:3.2:13.8,9:8:3.2:28.22,THB:14:13:3.2:28.22|
Show InChI InChI=1S/C24H27BrFN/c1-15(2)11-20-23-22-18(9-6-10-19(22)25)21(13-24(23,3)4)27(20)14-16-7-5-8-17(26)12-16/h5-10,12,20-21,23H,1,11,13-14H2,2-4H3/t20-,21-,23-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497257
PNG
(CHEMBL3347502)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)C)N1)c1c(Br)cccc21 |r,TLB:15:14:3.2:13.8,9:8:3.2:20.14|
Show InChI InChI=1S/C17H24BrN/c1-10(2)8-13-16-15-11(6-5-7-12(15)18)14(19-13)9-17(16,3)4/h5-7,10,13-14,16,19H,8-9H2,1-4H3/t13-,14-,16-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497260
PNG
(CHEMBL3347567)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1CCCCC)c1c(cccc21)-c1ccc(Cl)c(Cl)c1 |r,TLB:20:19:3.2:13.8,9:8:3.2:24.19,THB:14:13:3.2:24.19|
Show InChI InChI=1S/C28H35Cl2N/c1-6-7-8-14-31-24(15-18(2)3)27-26-20(19-12-13-22(29)23(30)16-19)10-9-11-21(26)25(31)17-28(27,4)5/h9-13,16,24-25,27H,2,6-8,14-15,17H2,1,3-5H3/t24-,25-,27-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))
BDBM50497261
PNG
(CHEMBL3347549)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1c(Br)cccc21 |r,TLB:23:22:3.2:13.8,9:8:3.2:28.22,THB:14:13:3.2:28.22|
Show InChI InChI=1S/C24H27BrFN/c1-15(2)11-20-23-22-18(9-6-10-19(22)25)21(13-24(23,3)4)27(20)14-16-7-5-8-17(26)12-16/h5-10,12,20-21,23H,1,11,13-14H2,2-4H3/t20-,21-,23-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX5 transfected in HEK cells assessed as inhibition of ionomycin-stimulated ROS generation by chemiluminescence assa...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497259
PNG
(CHEMBL3347542)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1ccc3OCOc3c1)c1c(Br)cccc21 |r,TLB:25:24:3.2:13.8,9:8:3.2:30.24,THB:14:13:3.2:30.24|
Show InChI InChI=1S/C25H28BrNO2/c1-15(2)10-19-24-23-17(6-5-7-18(23)26)20(12-25(24,3)4)27(19)13-16-8-9-21-22(11-16)29-14-28-21/h5-9,11,19-20,24H,1,10,12-14H2,2-4H3/t19-,20-,24-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497267
PNG
(CHEMBL3347501)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1ccccc21 |r,TLB:15:14:3.2:13.8,9:8:3.2:19.14|
Show InChI InChI=1S/C17H23N/c1-11(2)9-14-16-13-8-6-5-7-12(13)15(18-14)10-17(16,3)4/h5-8,14-16,18H,1,9-10H2,2-4H3/t14-,15-,16+/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50497258
PNG
(CHEMBL3347566)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1ccc3OCOc3c1)c1c(cccc21)-c1ccc(Cl)c(Cl)c1 |r,TLB:25:24:3.2:13.8,9:8:3.2:29.24,THB:14:13:3.2:29.24|
Show InChI InChI=1S/C31H31Cl2NO2/c1-18(2)12-25-30-29-21(20-9-10-23(32)24(33)14-20)6-5-7-22(29)26(15-31(30,3)4)34(25)16-19-8-11-27-28(13-19)36-17-35-27/h5-11,13-14,25-26,30H,1,12,15-17H2,2-4H3/t25-,26-,30-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX2 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50497260
PNG
(CHEMBL3347567)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1CCCCC)c1c(cccc21)-c1ccc(Cl)c(Cl)c1 |r,TLB:20:19:3.2:13.8,9:8:3.2:24.19,THB:14:13:3.2:24.19|
Show InChI InChI=1S/C28H35Cl2N/c1-6-7-8-14-31-24(15-18(2)3)27-26-20(19-12-13-22(29)23(30)16-19)10-9-11-21(26)25(31)17-28(27,4)5/h9-13,16,24-25,27H,2,6-8,14-15,17H2,1,3-5H3/t24-,25-,27-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX1 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50497261
PNG
(CHEMBL3347549)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1c(Br)cccc21 |r,TLB:23:22:3.2:13.8,9:8:3.2:28.22,THB:14:13:3.2:28.22|
Show InChI InChI=1S/C24H27BrFN/c1-15(2)11-20-23-22-18(9-6-10-19(22)25)21(13-24(23,3)4)27(20)14-16-7-5-8-17(26)12-16/h5-10,12,20-21,23H,1,11,13-14H2,2-4H3/t20-,21-,23-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX1 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50497264
PNG
(CHEMBL3347524)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1ccnc3ccccc13)c1c(Br)cccc21 |r,TLB:26:25:3.2:13.8,9:8:3.2:31.25,THB:14:13:3.2:31.25|
Show InChI InChI=1S/C27H29BrN2/c1-17(2)14-23-26-25-20(9-7-10-21(25)28)24(15-27(26,3)4)30(23)16-18-12-13-29-22-11-6-5-8-19(18)22/h5-13,23-24,26H,1,14-16H2,2-4H3/t23-,24-,26-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX1 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))
BDBM50497266
PNG
(CHEMBL3347525)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1c[nH]c3ccccc13)c1c(Br)cccc21 |r,TLB:25:24:3.2:13.8,9:8:3.2:30.24,THB:14:13:3.2:30.24|
Show InChI InChI=1S/C26H29BrN2/c1-16(2)12-22-25-24-19(9-7-10-20(24)27)23(13-26(25,3)4)29(22)15-17-14-28-21-11-6-5-8-18(17)21/h5-11,14,22-23,25,28H,1,12-13,15H2,2-4H3/t22-,23-,25-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX5 transfected in HEK cells assessed as inhibition of ionomycin-stimulated ROS generation by chemiluminescence assa...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 5


(Homo sapiens (Human))
BDBM50497267
PNG
(CHEMBL3347501)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1ccccc21 |r,TLB:15:14:3.2:13.8,9:8:3.2:19.14|
Show InChI InChI=1S/C17H23N/c1-11(2)9-14-16-13-8-6-5-7-12(13)15(18-14)10-17(16,3)4/h5-8,14-16,18H,1,9-10H2,2-4H3/t14-,15-,16+/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX5 transfected in HEK cells assessed as inhibition of ionomycin-stimulated ROS generation by chemiluminescence assa...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50497260
PNG
(CHEMBL3347567)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1CCCCC)c1c(cccc21)-c1ccc(Cl)c(Cl)c1 |r,TLB:20:19:3.2:13.8,9:8:3.2:24.19,THB:14:13:3.2:24.19|
Show InChI InChI=1S/C28H35Cl2N/c1-6-7-8-14-31-24(15-18(2)3)27-26-20(19-12-13-22(29)23(30)16-19)10-9-11-21(26)25(31)17-28(27,4)5/h9-13,16,24-25,27H,2,6-8,14-15,17H2,1,3-5H3/t24-,25-,27-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX4 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50497263
PNG
(CHEMBL3347554)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(cccc21)-c1ccc(Cl)c(Cl)c1 |r,TLB:15:14:3.2:13.8,9:8:3.2:19.14|
Show InChI InChI=1S/C23H25Cl2N/c1-13(2)10-19-22-21-15(14-8-9-17(24)18(25)11-14)6-5-7-16(21)20(26-19)12-23(22,3)4/h5-9,11,19-20,22,26H,1,10,12H2,2-4H3/t19-,20-,22-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX4 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50497261
PNG
(CHEMBL3347549)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccc(F)c1)c1c(Br)cccc21 |r,TLB:23:22:3.2:13.8,9:8:3.2:28.22,THB:14:13:3.2:28.22|
Show InChI InChI=1S/C24H27BrFN/c1-15(2)11-20-23-22-18(9-6-10-19(22)25)21(13-24(23,3)4)27(20)14-16-7-5-8-17(26)12-16/h5-10,12,20-21,23H,1,11,13-14H2,2-4H3/t20-,21-,23-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX4 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50497259
PNG
(CHEMBL3347542)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1ccc3OCOc3c1)c1c(Br)cccc21 |r,TLB:25:24:3.2:13.8,9:8:3.2:30.24,THB:14:13:3.2:30.24|
Show InChI InChI=1S/C25H28BrNO2/c1-15(2)10-19-24-23-17(6-5-7-18(23)26)20(12-25(24,3)4)27(19)13-16-8-9-21-22(11-16)29-14-28-21/h5-9,11,19-20,24H,1,10,12-14H2,2-4H3/t19-,20-,24-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX4 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50497268
PNG
(CHEMBL3347491)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1)c1c(Br)cccc21 |r,TLB:15:14:3.2:13.8,9:8:3.2:20.14|
Show InChI InChI=1S/C17H22BrN/c1-10(2)8-13-16-15-11(6-5-7-12(15)18)14(19-13)9-17(16,3)4/h5-7,13-14,16,19H,1,8-9H2,2-4H3/t13-,14-,16-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX4 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50497269
PNG
(CHEMBL3347584)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1S(=O)(=O)c1ccc(F)cc1)c1c(Br)cccc21 |r,TLB:9:8:3.2:30.24,25:24:3.2:13.8,THB:14:13:3.2:30.24|
Show InChI InChI=1S/C23H25BrFNO2S/c1-14(2)12-19-22-21-17(6-5-7-18(21)24)20(13-23(22,3)4)26(19)29(27,28)16-10-8-15(25)9-11-16/h5-11,19-20,22H,1,12-13H2,2-4H3/t19-,20-,22-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX1 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50497270
PNG
(CHEMBL3347551)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1cccs1)c1c(Br)cccc21 |r,TLB:21:20:3.2:13.8,9:8:3.2:26.20,THB:14:13:3.2:26.20|
Show InChI InChI=1S/C22H26BrNS/c1-14(2)11-18-21-20-16(8-5-9-17(20)23)19(12-22(21,3)4)24(18)13-15-7-6-10-25-15/h5-10,18-19,21H,1,11-13H2,2-4H3/t18-,19-,21-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX1 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50497271
PNG
(CHEMBL3347550)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1CCCCC)c1c(Br)cccc21 |r,TLB:9:8:19.25:3.2,20:19:13.8:3.2,THB:14:13:19.25:3.2|
Show InChI InChI=1S/C22H32BrN/c1-6-7-8-12-24-18(13-15(2)3)21-20-16(10-9-11-17(20)23)19(24)14-22(21,4)5/h9-11,18-19,21H,2,6-8,12-14H2,1,3-5H3/t18-,19-,21-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX1 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50497259
PNG
(CHEMBL3347542)
Show SMILES [H][C@@]12CC(C)(C)[C@@]([H])([C@H](CC(C)=C)N1Cc1ccc3OCOc3c1)c1c(Br)cccc21 |r,TLB:25:24:3.2:13.8,9:8:3.2:30.24,THB:14:13:3.2:30.24|
Show InChI InChI=1S/C25H28BrNO2/c1-15(2)10-19-24-23-17(6-5-7-18(23)26)20(12-25(24,3)4)27(19)13-16-8-9-21-22(11-16)29-14-28-21/h5-9,11,19-20,24H,1,10,12-14H2,2-4H3/t19-,20-,24-/m0/s1
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University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of full length human NOX1 transfected in COS 22 cells assessed as inhibition of Phorbol 12-myristate 13-acetate-stimulated ROS generation ...


Medchemcomm 4: 1085-1092 (2013)


Article DOI: 10.1039/c3md00061c
BindingDB Entry DOI: 10.7270/Q2J38WJK
More data for this
Ligand-Target Pair
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