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Compile Data Set for Download or QSAR

Found 187 hits Enz. Inhib. hit(s) with Target = 'Cytochrome b' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NADPH oxidase 2 (NOX2)


(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...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(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...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(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...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(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...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(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...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(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...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(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...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(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...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(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...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(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...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(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...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(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...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(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...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(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...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(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...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(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


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(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...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(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...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


(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


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192008
PNG
(Antimycin A | [(2R,3S,6S,7R)-3-[(3-formamido-2-hyd...)
Show SMILES CCCCCCC1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O
Show InChI InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20?,23+,25+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192089
PNG
(Inz-80)
Show SMILES COC(=O)Cn1nc(-c2cc(OCCCC3CCCCC3)ccc2F)c2cccc(C)c12
Show InChI InChI=1S/C26H31FN2O3/c1-18-8-6-12-21-25(28-29(26(18)21)17-24(30)31-2)22-16-20(13-14-23(22)27)32-15-7-11-19-9-4-3-5-10-19/h6,8,12-14,16,19H,3-5,7,9-11,15,17H2,1-2H3
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n/an/a 790n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192018
PNG
(Inz-9)
Show SMILES COC(=O)Cn1nc(-c2cccc(OCC3CCCCC3)c2)c2ccccc12
Show InChI InChI=1S/C23H26N2O3/c1-27-22(26)15-25-21-13-6-5-12-20(21)23(24-25)18-10-7-11-19(14-18)28-16-17-8-3-2-4-9-17/h5-7,10-14,17H,2-4,8-9,15-16H2,1H3
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n/an/a 889n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192013
PNG
(Inz-4)
Show SMILES COC(=O)Cn1nc(-c2cc(ccc2F)C(F)(F)F)c2cccc(C)c12
Show InChI InChI=1S/C18H14F4N2O2/c1-10-4-3-5-12-16(23-24(17(10)12)9-15(25)26-2)13-8-11(18(20,21)22)6-7-14(13)19/h3-8H,9H2,1-2H3
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n/an/a 1.04E+3n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192084
PNG
(Inz-75)
Show SMILES COC(=O)Cn1nc(-c2cccc(OCCC34CC5CC(CC(C5)C3)C4)c2)c2ccccc12
Show InChI InChI=1S/C28H32N2O3/c1-32-26(31)18-30-25-8-3-2-7-24(25)27(29-30)22-5-4-6-23(14-22)33-10-9-28-15-19-11-20(16-28)13-21(12-19)17-28/h2-8,14,19-21H,9-13,15-18H2,1H3
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n/an/a 1.08E+3n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192054
PNG
(Inz-45)
Show SMILES COC(=O)Cn1nc(-c2cccc(CCc3ccccc3)c2)c2ccccc12
Show InChI InChI=1S/C24H22N2O2/c1-28-23(27)17-26-22-13-6-5-12-21(22)24(25-26)20-11-7-10-19(16-20)15-14-18-8-3-2-4-9-18/h2-13,16H,14-15,17H2,1H3
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n/an/a 1.17E+3n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192077
PNG
(Inz-68)
Show SMILES COC(=O)Cn1nc(-c2cc(OCc3ccccc3)ccc2F)c2ccccc12
Show InChI InChI=1S/C23H19FN2O3/c1-28-22(27)14-26-21-10-6-5-9-18(21)23(25-26)19-13-17(11-12-20(19)24)29-15-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3
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n/an/a 1.66E+3n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192009
PNG
(3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthal...)
Show SMILES OC1=C(C2CCC(CC2)c2ccc(Cl)cc2)C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,24H,5-8H2
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n/an/a 1.88E+3n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192090
PNG
(Inz-81)
Show SMILES COC(=O)Cn1nc(-c2cc(OCCCC3CCCCC3)ccc2F)c2ccccc12
Show InChI InChI=1S/C25H29FN2O3/c1-30-24(29)17-28-23-12-6-5-11-20(23)25(27-28)21-16-19(13-14-22(21)26)31-15-7-10-18-8-3-2-4-9-18/h5-6,11-14,16,18H,2-4,7-10,15,17H2,1H3
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n/an/a 2.43E+3n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b-c1 complex subunit 7


(Homo sapiens)
BDBM50027963
PNG
(CHEMBL3360259)
Show SMILES Oc1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H15NO3S/c20-17-10-8-16(9-11-17)19-23(21,22)18-12-6-15(7-13-18)14-4-2-1-3-5-14/h1-13,19-20H
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n/an/a 2.50E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Modulation of UQCRB in human HepG2 cells assessed as inhibition of HIF-1alpha for 4 hrs under 1%O2 by Western blot analysis


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192093
PNG
(Inz-84)
Show SMILES Cc1cccc2c(nn(Cc3nnn(C)n3)c12)-c1cc(OCCCC2CCCCC2)ccc1F
Show InChI InChI=1S/C26H31FN6O/c1-18-8-6-12-21-25(30-33(26(18)21)17-24-28-31-32(2)29-24)22-16-20(13-14-23(22)27)34-15-7-11-19-9-4-3-5-10-19/h6,8,12-14,16,19H,3-5,7,9-11,15,17H2,1-2H3
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n/an/a 2.92E+3n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192073
PNG
(Inz-64)
Show SMILES COC(=O)Cn1nc(-c2cccc(OCCC3CCCCC3)c2)c2ccccc12
Show InChI InChI=1S/C24H28N2O3/c1-28-23(27)17-26-22-13-6-5-12-21(22)24(25-26)19-10-7-11-20(16-19)29-15-14-18-8-3-2-4-9-18/h5-7,10-13,16,18H,2-4,8-9,14-15,17H2,1H3
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n/an/a 3.23E+3n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192011
PNG
(Inz-2)
Show SMILES COC(=O)Cn1nc(-c2cc(ccc2F)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C17H12F4N2O2/c1-25-15(24)9-23-14-5-3-2-4-11(14)16(22-23)12-8-10(17(19,20)21)6-7-13(12)18/h2-8H,9H2,1H3
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n/an/a 4.62E+3n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192083
PNG
(Inz-74)
Show SMILES COC(=O)Cn1nc(-c2cccc(OCCC(C)(C)C)c2)c2ccccc12
Show InChI InChI=1S/C22H26N2O3/c1-22(2,3)12-13-27-17-9-7-8-16(14-17)21-18-10-5-6-11-19(18)24(23-21)15-20(25)26-4/h5-11,14H,12-13,15H2,1-4H3
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n/an/a 4.72E+3n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192066
PNG
(Inz-57)
Show SMILES COC(=O)Cn1nc(-c2cccc(OCCC(C)C)c2)c2ccccc12
Show InChI InChI=1S/C21H24N2O3/c1-15(2)11-12-26-17-8-6-7-16(13-17)21-18-9-4-5-10-19(18)23(22-21)14-20(24)25-3/h4-10,13,15H,11-12,14H2,1-3H3
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n/an/a 4.77E+3n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b-c1 complex subunit 7


(Homo sapiens)
BDBM50027960
PNG
(CHEMBL188279)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C16H19NO3S/c1-16(2,3)12-4-10-15(11-5-12)21(19,20)17-13-6-8-14(18)9-7-13/h4-11,17-18H,1-3H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Modulation of UQCRB in human HepG2 cells assessed as inhibition of HIF-1alpha for 4 hrs under 1%O2 by Western blot analysis


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b-c1 complex subunit 7


(Homo sapiens)
BDBM50028004
PNG
(CHEMBL3360267)
Show SMILES [K+].[O-]c1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C18H15NO3S/c20-17-10-8-16(9-11-17)19-23(21,22)18-12-6-15(7-13-18)14-4-2-1-3-5-14/h1-13,19-20H/p-1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Modulation of UQCRB in human HepG2 cells assessed as inhibition of HIF-1alpha for 4 hrs under 1%O2 by Western blot analysis


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192085
PNG
(Inz-76)
Show SMILES COC(=O)Cn1nc(-c2cccc(OCCCC3CCCCC3)c2)c2ccccc12
Show InChI InChI=1S/C25H30N2O3/c1-29-24(28)18-27-23-15-6-5-14-22(23)25(26-27)20-12-7-13-21(17-20)30-16-8-11-19-9-3-2-4-10-19/h5-7,12-15,17,19H,2-4,8-11,16,18H2,1H3
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n/an/a 5.47E+3n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192014
PNG
(Inz-5)
Show SMILES Cc1cccc2c(nn(Cc3nnn(C)n3)c12)-c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C18H14F4N6/c1-10-4-3-5-12-16(13-8-11(18(20,21)22)6-7-14(13)19)25-28(17(10)12)9-15-23-26-27(2)24-15/h3-8H,9H2,1-2H3
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n/an/a 6.51E+3n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b-c1 complex subunit 7


(Homo sapiens)
BDBM50028005
PNG
(CHEMBL185823)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(O)c1
Show InChI InChI=1S/C16H19NO3S/c1-16(2,3)12-7-9-15(10-8-12)21(19,20)17-13-5-4-6-14(18)11-13/h4-11,17-18H,1-3H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Modulation of UQCRB in human HepG2 cells assessed as inhibition of HIF-1alpha for 4 hrs under 1%O2 by Western blot analysis


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b-c1 complex subunit 7


(Homo sapiens)
BDBM50028006
PNG
(CHEMBL186268)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccccc1O
Show InChI InChI=1S/C16H19NO3S/c1-16(2,3)12-8-10-13(11-9-12)21(19,20)17-14-6-4-5-7-15(14)18/h4-11,17-18H,1-3H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Modulation of UQCRB in human HepG2 cells assessed as inhibition of HIF-1alpha for 4 hrs under 1%O2 by Western blot analysis


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192019
PNG
(Inz-10)
Show SMILES COC(=O)Cn1nc(-c2cccc(c2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C17H13F3N2O2/c1-24-15(23)10-22-14-8-3-2-7-13(14)16(21-22)11-5-4-6-12(9-11)17(18,19)20/h2-9H,10H2,1H3
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n/an/a 8.66E+3n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192063
PNG
(Inz-54)
Show SMILES COC(=O)Cn1nc(-c2cccc(OCC(C)C)c2)c2ccccc12
Show InChI InChI=1S/C20H22N2O3/c1-14(2)13-25-16-8-6-7-15(11-16)20-17-9-4-5-10-18(17)22(21-20)12-19(23)24-3/h4-11,14H,12-13H2,1-3H3
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n/an/a 9.23E+3n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192016
PNG
(Inz-7)
Show SMILES COC(=O)Cn1nc(-c2cccc(Oc3ccccc3)c2)c2ccccc12
Show InChI InChI=1S/C22H18N2O3/c1-26-21(25)15-24-20-13-6-5-12-19(20)22(23-24)16-8-7-11-18(14-16)27-17-9-3-2-4-10-17/h2-14H,15H2,1H3
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n/an/a 9.97E+3n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 2 (NOX2)


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


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192048
PNG
(Inz-39)
Show SMILES Fc1ccc(cc1-c1nn(Cc2cnccn2)c2c(F)cccc12)C(F)(F)F
Show InChI InChI=1S/C19H11F5N4/c20-15-5-4-11(19(22,23)24)8-14(15)17-13-2-1-3-16(21)18(13)28(27-17)10-12-9-25-6-7-26-12/h1-9H,10H2
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n/an/a 1.08E+4n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


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More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192091
PNG
(Inz-82)
Show SMILES Cn1nnc(Cn2nc(-c3cc(OCCCC4CCCCC4)ccc3F)c3ccccc23)n1
Show InChI InChI=1S/C25H29FN6O/c1-31-28-24(27-30-31)17-32-23-12-6-5-11-20(23)25(29-32)21-16-19(13-14-22(21)26)33-15-7-10-18-8-3-2-4-9-18/h5-6,11-14,16,18H,2-4,7-10,15,17H2,1H3
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n/an/a 1.23E+4n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192017
PNG
(Inz-8)
Show SMILES COC(=O)Cn1nc(-c2cccc(OCCc3ccccc3)c2)c2ccccc12
Show InChI InChI=1S/C24H22N2O3/c1-28-23(27)17-26-22-13-6-5-12-21(22)24(25-26)19-10-7-11-20(16-19)29-15-14-18-8-3-2-4-9-18/h2-13,16H,14-15,17H2,1H3
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n/an/a 1.39E+4n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192104
PNG
(Inz-95)
Show SMILES COc1cccc2c(nn(Cc3cnccn3)c12)-c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C20H14F4N4O/c1-29-17-4-2-3-14-18(15-9-12(20(22,23)24)5-6-16(15)21)27-28(19(14)17)11-13-10-25-7-8-26-13/h2-10H,11H2,1H3
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PubMed
n/an/a 1.52E+4n/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
The cytochrome b enzyme assay was adapted from previous studies (Gutierrez-Cirlos et al., 2004). Briefly, compounds were diluted in a 23 reaction buf...


Citation and Details
More data for this
Ligand-Target Pair
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