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Compile Data Set for Download or QSAR

Found 298 hits Enz. Inhib. hit(s) with Target = 'Cytochrome b'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome b-245 heavy chain


(Homo sapiens (Human))
BDBM50359525
PNG
(CHEMBL1927146)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCNCc3c2c1=O
Show InChI InChI=1S/C16H15ClN4O2/c17-10-4-1-2-5-12(10)21-16(23)15-11(19-21)8-14(22)20-7-3-6-18-9-13(15)20/h1-2,4-5,8,18-19H,3,6-7,9H2
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365n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...


Bioorg Med Chem 19: 6989-99 (2011)

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


(Homo sapiens (Human))
BDBM50359522
PNG
(CHEMBL1927160)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCOCc3c2c1=O
Show InChI InChI=1S/C15H12ClN3O3/c16-9-3-1-2-4-11(9)19-15(21)14-10(17-19)7-13(20)18-5-6-22-8-12(14)18/h1-4,7,17H,5-6,8H2
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433n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...


Bioorg Med Chem 19: 6989-99 (2011)

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


(Homo sapiens (Human))
BDBM50359520
PNG
(CHEMBL1927158)
Show SMILES COc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccn4)Cc3c2c1=O
Show InChI InChI=1S/C23H23N5O3/c1-31-20-9-3-2-8-18(20)28-23(30)22-17(25-28)13-21(29)27-12-6-11-26(15-19(22)27)14-16-7-4-5-10-24-16/h2-5,7-10,13,25H,6,11-12,14-15H2,1H3
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510n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...


Bioorg Med Chem 19: 6989-99 (2011)

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


(Homo sapiens (Human))
BDBM50359527
PNG
(CHEMBL1927148)
Show SMILES COc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
Show InChI InChI=1S/C24H24N4O3/c1-31-21-11-6-5-10-19(21)28-24(30)23-18(25-28)14-22(29)27-13-7-12-26(16-20(23)27)15-17-8-3-2-4-9-17/h2-6,8-11,14,25H,7,12-13,15-16H2,1H3
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645n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...


Bioorg Med Chem 19: 6989-99 (2011)

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


(Homo sapiens (Human))
BDBM50359533
PNG
(CHEMBL1927154)
Show SMILES COc1ccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)cc1
Show InChI InChI=1S/C24H23ClN4O3/c1-32-17-9-7-16(8-10-17)14-27-11-4-12-28-21(15-27)23-19(13-22(28)30)26-29(24(23)31)20-6-3-2-5-18(20)25/h2-3,5-10,13,26H,4,11-12,14-15H2,1H3
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780n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...


Bioorg Med Chem 19: 6989-99 (2011)

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


(Homo sapiens (Human))
BDBM50359521
PNG
(CHEMBL1927159)
Show SMILES COc1cccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3OC)c2=O)c1
Show InChI InChI=1S/C25H26N4O4/c1-32-18-8-5-7-17(13-18)15-27-11-6-12-28-21(16-27)24-19(14-23(28)30)26-29(25(24)31)20-9-3-4-10-22(20)33-2/h3-5,7-10,13-14,26H,6,11-12,15-16H2,1-2H3
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820n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...


Bioorg Med Chem 19: 6989-99 (2011)

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


(Homo sapiens (Human))
BDBM50359534
PNG
(CHEMBL1927155)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccoc4)Cc3c2c1=O
Show InChI InChI=1S/C21H19ClN4O3/c22-15-4-1-2-5-17(15)26-21(28)20-16(23-26)10-19(27)25-8-3-7-24(12-18(20)25)11-14-6-9-29-13-14/h1-2,4-6,9-10,13,23H,3,7-8,11-12H2
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1.02E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...


Bioorg Med Chem 19: 6989-99 (2011)

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


(Homo sapiens (Human))
BDBM50359519
PNG
(CHEMBL1927157)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccn4)Cc3c2c1=O
Show InChI InChI=1S/C22H20ClN5O2/c23-16-7-1-2-8-18(16)28-22(30)21-17(25-28)12-20(29)27-11-5-10-26(14-19(21)27)13-15-6-3-4-9-24-15/h1-4,6-9,12,25H,5,10-11,13-14H2
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1.14E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...


Bioorg Med Chem 19: 6989-99 (2011)

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


(Homo sapiens (Human))
BDBM50359529
PNG
(CHEMBL1927150)
Show SMILES Clc1cccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C23H20Cl2N4O2/c24-16-6-3-5-15(11-16)13-27-9-4-10-28-20(14-27)22-18(12-21(28)30)26-29(23(22)31)19-8-2-1-7-17(19)25/h1-3,5-8,11-12,26H,4,9-10,13-14H2
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1.15E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...


Bioorg Med Chem 19: 6989-99 (2011)

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


(Homo sapiens (Human))
BDBM50359528
PNG
(CHEMBL1927149)
Show SMILES Clc1ccccc1CN1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O
Show InChI InChI=1S/C23H20Cl2N4O2/c24-16-7-2-1-6-15(16)13-27-10-5-11-28-20(14-27)22-18(12-21(28)30)26-29(23(22)31)19-9-4-3-8-17(19)25/h1-4,6-9,12,26H,5,10-11,13-14H2
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1.16E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...


Bioorg Med Chem 19: 6989-99 (2011)

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


(Homo sapiens (Human))
BDBM50359532
PNG
(CHEMBL1927153)
Show SMILES COc1cccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)c1
Show InChI InChI=1S/C24H23ClN4O3/c1-32-17-7-4-6-16(12-17)14-27-10-5-11-28-21(15-27)23-19(13-22(28)30)26-29(24(23)31)20-9-3-2-8-18(20)25/h2-4,6-9,12-13,26H,5,10-11,14-15H2,1H3
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1.20E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...


Bioorg Med Chem 19: 6989-99 (2011)

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


(Homo sapiens (Human))
BDBM50359530
PNG
(CHEMBL1927151)
Show SMILES Clc1ccc(CN2CCCn3c(C2)c2c(cc3=O)[nH]n(-c3ccccc3Cl)c2=O)cc1
Show InChI InChI=1S/C23H20Cl2N4O2/c24-16-8-6-15(7-9-16)13-27-10-3-11-28-20(14-27)22-18(12-21(28)30)26-29(23(22)31)19-5-2-1-4-17(19)25/h1-2,4-9,12,26H,3,10-11,13-14H2
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1.26E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...


Bioorg Med Chem 19: 6989-99 (2011)

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


(Homo sapiens (Human))
BDBM50359524
PNG
(CHEMBL1927145)
Show SMILES CC(C)(C)OC(=O)N1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O
Show InChI InChI=1S/C21H23ClN4O4/c1-21(2,3)30-20(29)24-9-6-10-25-16(12-24)18-14(11-17(25)27)23-26(19(18)28)15-8-5-4-7-13(15)22/h4-5,7-8,11,23H,6,9-10,12H2,1-3H3
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1.28E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...


Bioorg Med Chem 19: 6989-99 (2011)

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


(Homo sapiens (Human))
BDBM50359523
PNG
(CHEMBL1927147)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4ccccc4)Cc3c2c1=O
Show InChI InChI=1S/C23H21ClN4O2/c24-17-9-4-5-10-19(17)28-23(30)22-18(25-28)13-21(29)27-12-6-11-26(15-20(22)27)14-16-7-2-1-3-8-16/h1-5,7-10,13,25H,6,11-12,14-15H2
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1.34E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...


Bioorg Med Chem 19: 6989-99 (2011)

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


(Homo sapiens (Human))
BDBM50359518
PNG
(CHEMBL1927156)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCCN(Cc4cccnc4)Cc3c2c1=O
Show InChI InChI=1S/C22H20ClN5O2/c23-16-6-1-2-7-18(16)28-22(30)21-17(25-28)11-20(29)27-10-4-9-26(14-19(21)27)13-15-5-3-8-24-12-15/h1-3,5-8,11-12,25H,4,9-10,13-14H2
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1.37E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...


Bioorg Med Chem 19: 6989-99 (2011)

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


(Homo sapiens (Human))
BDBM50330722
PNG
(2-(2-chlorophenyl)-4-methyl-5-(pyridin-2-ylmethyl)...)
Show SMILES Cc1n(Cc2ccccn2)c(=O)cc2[nH]n(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C19H15ClN4O2/c1-12-18-15(10-17(25)23(12)11-13-6-4-5-9-21-13)22-24(19(18)26)16-8-3-2-7-14(16)20/h2-10,22H,11H2,1H3
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1.53E+3n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX2 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)

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


(Homo sapiens (Human))
BDBM50359531
PNG
(CHEMBL1927152)
Show SMILES COc1ccccc1CN1CCCn2c(C1)c1c(cc2=O)[nH]n(-c2ccccc2Cl)c1=O
Show InChI InChI=1S/C24H23ClN4O3/c1-32-21-10-5-2-7-16(21)14-27-11-6-12-28-20(15-27)23-18(13-22(28)30)26-29(24(23)31)19-9-4-3-8-17(19)25/h2-5,7-10,13,26H,6,11-12,14-15H2,1H3
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1.76E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...


Bioorg Med Chem 19: 6989-99 (2011)

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


(Homo sapiens (Human))
BDBM50359526
PNG
(CHEMBL1926690)
Show SMILES Clc1ccccc1-n1[nH]c2cc(=O)n3CCN(Cc4ccccc4)Cc3c2c1=O
Show InChI InChI=1S/C22H19ClN4O2/c23-16-8-4-5-9-18(16)27-22(29)21-17(24-27)12-20(28)26-11-10-25(14-19(21)26)13-15-6-2-1-3-7-15/h1-9,12,24H,10-11,13-14H2
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2.02E+3n/an/an/an/an/an/an/an/a



Genkyotex S.A.

Curated by ChEMBL


Assay Description
Antagonist activity at human NOX2 in human polymorphonuclear cell membrane assessed as inhibition of ROS production after 20 mins by cell-free amplex...


Bioorg Med Chem 19: 6989-99 (2011)

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


(Homo sapiens (Human))
BDBM50330688
PNG
(4-methyl-2-phenyl-5-(pyridin-3-ylmethyl)-1H-pyrazo...)
Show SMILES Cc1n(Cc2cccnc2)c(=O)cc2[nH]n(-c3ccccc3)c(=O)c12
Show InChI InChI=1S/C19H16N4O2/c1-13-18-16(21-23(19(18)25)15-7-3-2-4-8-15)10-17(24)22(13)12-14-6-5-9-20-11-14/h2-11,21H,12H2,1H3
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4.72E+3n/an/an/an/an/an/an/an/a



Genkyotex, S.A.

Curated by ChEMBL


Assay Description
Inhibition of human NOX2 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH


J Med Chem 53: 7715-30 (2010)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 5n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

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/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 26n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 35.2n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 38.8n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 66.3n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 87n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 129n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 141n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 145n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 154n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 156n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 289n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 300n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 344n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 346n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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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n/an/a 438n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
BDBM192103
PNG
(Inz-94)
Show SMILES Fc1ccc(cc1-c1nn(Cc2cnccn2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C19H12F4N4/c20-16-6-5-12(19(21,22)23)9-15(16)18-14-3-1-2-4-17(14)27(26-18)11-13-10-24-7-8-25-13/h1-10H,11H2
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n/an/a 449n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
BDBM192047
PNG
(Inz-38)
Show SMILES Cc1cccc2c(nn(Cc3cnccn3)c12)-c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C20H14F4N4/c1-12-3-2-4-15-18(16-9-13(20(22,23)24)5-6-17(16)21)27-28(19(12)15)11-14-10-25-7-8-26-14/h2-10H,11H2,1H3
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n/an/a 602n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 614n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 657n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 714n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

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
PDB

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n/an/a 790n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

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
PDB

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n/an/a 889n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
BDBM192070
PNG
(Inz-61)
Show SMILES COC(=O)Cn1nc(-c2cc(F)ccc2F)c2ccccc12
Show InChI InChI=1S/C16H12F2N2O2/c1-22-15(21)9-20-14-5-3-2-4-11(14)16(19-20)12-8-10(17)6-7-13(12)18/h2-8H,9H2,1H3
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n/an/a 891n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
BDBM192106
PNG
(Inz-97)
Show SMILES Fc1ccc(cc1-c1nn(Cc2cnccn2)c2ncccc12)C(F)(F)F
Show InChI InChI=1S/C18H11F4N5/c19-15-4-3-11(18(20,21)22)8-14(15)16-13-2-1-5-25-17(13)27(26-16)10-12-9-23-6-7-24-12/h1-9H,10H2
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n/an/a 935n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
BDBM192049
PNG
(Inz-40)
Show SMILES CCOc1cccc(c1)-c1nn(CC(=O)OC)c2ccccc12
Show InChI InChI=1S/C18H18N2O3/c1-3-23-14-8-6-7-13(11-14)18-15-9-4-5-10-16(15)20(19-18)12-17(21)22-2/h4-11H,3,12H2,1-2H3
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n/an/a 982n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
BDBM192012
PNG
(Inz-3)
Show SMILES COC(=O)Cn1nc(-c2ccccc2)c2cccc(C)c12
Show InChI InChI=1S/C17H16N2O2/c1-12-7-6-10-14-16(13-8-4-3-5-9-13)18-19(17(12)14)11-15(20)21-2/h3-10H,11H2,1-2H3
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n/an/a 1.01E+3n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

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
PDB

UniProtKB/SwissProt

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n/an/a 1.04E+3n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.06E+3n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.08E+3n/an/an/an/a7.425



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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
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