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Compile Data Set for Download or QSAR

Found 111 hits of ic50 for UniProtKB: P04839   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50218664
PNG
(CHEMBL5275943)
Show SMILES [H][C@@]12CCCN(N1)C(=O)[C@H](Cc1cccc(O)c1)NC(=O)[C@@H](NC(=O)[C@H](CCCC)[C@H](O)[C@@H](C)[C@@H](O)\C=C\C=C\C[C@H](OC2=O)C(\C)=C\C=C\CC[C@H](C)[C@@H](O)C[C@@H]1O[C@@]2(NC(=O)[C@@H](CC)C[C@@H]2C)[C@@H](C)[C@@H](O)[C@H]1C)C(C)C |t:38,40|
Show InChI InChI=1S/C60H93N5O12/c1-11-13-26-45-54(70)39(8)48(67)28-18-15-19-29-50(37(6)23-17-14-16-22-36(5)49(68)34-51-40(9)53(69)41(10)60(77-51)38(7)31-43(12-2)55(71)63-60)76-59(75)46-27-21-30-65(64-46)58(74)47(33-42-24-20-25-44(66)32-42)61-57(73)52(35(3)4)62-56(45)72/h14-15,17-20,23-25,28,32,35-36,38-41,43,45-54,64,66-70H,11-13,16,21-22,26-27,29-31,33-34H2,1-10H3,(H,61,73)(H,62,72)(H,63,71)/b17-14+,19-15+,28-18+,37-23+/t36-,38-,39-,40-,41-,43-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54+,60+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Mycobacterium lufu

Bioorg Med Chem Lett 20: 1194-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.007
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612720
PNG
(CHEMBL5279528)
Show SMILES CN(CCO)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(O)c1
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n/an/a 520n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612719
PNG
(CHEMBL5285816)
Show SMILES CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(O)c1
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n/an/a 910n/an/an/an/an/an/a


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Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612714
PNG
(CHEMBL5279646)
Show SMILES COc1cc(ccc1\C=C1\N(C)C(=S)N(C2CCCCC2)C1=O)N(C)CCCO
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n/an/a 990n/an/an/an/an/an/a


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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 1.25E+3n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114645
BindingDB Entry DOI: 10.7270/Q2SQ94GB
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612709
PNG
(CHEMBL5282245)
Show SMILES COc1cc(ccc1\C=C1\N(C)C(=S)N(C1=O)c1ccccc1)N(C)C
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n/an/a 1.31E+3n/an/an/an/an/an/a


TBA



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Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612711
PNG
(CHEMBL5278688)
Show SMILES CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(OC)c1
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n/an/a 1.47E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612712
PNG
(CHEMBL5269753)
Show SMILES COc1cc(ccc1\C=C1\N(C)C(=S)N(C2CCCCC2)C1=O)N(C)CCO
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n/an/a 1.58E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612718
PNG
(CHEMBL5269857)
Show SMILES CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(O)c1
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n/an/a 1.66E+3n/an/an/an/an/an/a


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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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US Patent
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)


BindingDB Entry DOI: 10.7270/Q2WH2S3G
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612701
PNG
(CHEMBL5266372)
Show SMILES CN(C)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)cc1
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n/an/a 1.76E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612704
PNG
(CHEMBL5266063)
Show SMILES CN(CCO)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)cc1
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n/an/a 1.90E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612710
PNG
(CHEMBL5290483)
Show SMILES CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(OC)c1
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n/an/a 1.95E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612703
PNG
(CHEMBL5269456)
Show SMILES CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)cc1
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n/an/a 1.96E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612706
PNG
(CHEMBL5283659)
Show SMILES CN(CCCO)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)cc1
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n/an/a 2.40E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612707
PNG
(CHEMBL5287636)
Show SMILES CN(CCCO)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)cc1
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n/an/a 2.72E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612715
PNG
(CHEMBL5287582)
Show SMILES COc1cc(ccc1\C=C1\N(C)C(=S)N(C1=O)c1ccccc1)N(C)CCCO
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n/an/a 2.79E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612713
PNG
(CHEMBL5271584)
Show SMILES COc1cc(ccc1\C=C1\N(C)C(=S)N(C1=O)c1ccccc1)N(C)CCO
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n/an/a 2.82E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612705
PNG
(CHEMBL5291222)
Show SMILES CN(CCO)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)cc1
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n/an/a 2.82E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612716
PNG
(CHEMBL5270712)
Show SMILES CN(C)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(O)c1
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n/an/a 2.96E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612722
PNG
(CHEMBL5268914)
Show SMILES CN(CCCO)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)c(O)c1
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n/an/a 3.39E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612700
PNG
(CHEMBL5287478)
Show SMILES CN(C)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)cc1
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n/an/a 3.58E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612717
PNG
(CHEMBL5268551)
Show SMILES CN(C)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(O)c1
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n/an/a 3.73E+3n/an/an/an/an/an/a


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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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n/an/a 5.00E+3n/an/an/an/an/an/a



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))		BDBM50612721
PNG
(CHEMBL5282886)
Show SMILES CN(CCO)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(O)c1
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n/an/a 5.00E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612702
PNG
(CHEMBL5290730)
Show SMILES CCN(CC)c1ccc(\C=C2\N(C)C(=S)N(C3CCCCC3)C2=O)cc1
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n/an/a 5.66E+3n/an/an/an/an/an/a


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Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50612723
PNG
(CHEMBL5286033)
Show SMILES CN(CCCO)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2ccccc2)c(O)c1
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n/an/a 6.33E+3n/an/an/an/an/an/a


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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))		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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n/an/a 9.00E+3n/an/an/an/an/an/a



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 |w:9.9|
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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n/an/a>1.00E+4n/an/an/an/an/an/a



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))		BDBM50612708
PNG
(CHEMBL5277244)
Show SMILES COc1cc(ccc1\C=C1\N(C)C(=S)N(C2CCCCC2)C1=O)N(C)C
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TBA



Citation and Details
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
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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US Patent
n/an/a 1.50E+4n/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)


BindingDB Entry DOI: 10.7270/Q2WH2S3G
More data for this
Ligand-Target Pair
Cytochrome b-245 heavy chain


(Homo sapiens (Human))		BDBM50606914
PNG
(CHEMBL5218591)
Show SMILES Cc1ccc(cc1)N1CCN(CC1)c1nc(N)nc(Nc2ccc(C)c(C)c2)n1
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114645
BindingDB Entry DOI: 10.7270/Q2SQ94GB
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)


BindingDB Entry DOI: 10.7270/Q2WH2S3G
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)


BindingDB Entry DOI: 10.7270/Q2WH2S3G
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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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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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))		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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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))		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))		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 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))		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 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
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