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Compile Data Set for Download or QSAR

Found 106 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
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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PubMed
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...


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
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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...


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
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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...


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
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PubMed
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...


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
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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...


Cell Chem Biol 23: 978-991 (2016)

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...


Cell Chem Biol 23: 978-991 (2016)

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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PubMed
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...


Cell Chem Biol 23: 978-991 (2016)

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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PubMed
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...


Cell Chem Biol 23: 978-991 (2016)

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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PubMed
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...


Cell Chem Biol 23: 978-991 (2016)

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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PubMed
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...


Cell Chem Biol 23: 978-991 (2016)

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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PubMed
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...


Cell Chem Biol 23: 978-991 (2016)

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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PubMed
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...


Cell Chem Biol 23: 978-991 (2016)

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...


Cell Chem Biol 23: 978-991 (2016)

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...


Cell Chem Biol 23: 978-991 (2016)

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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PubMed
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...


Cell Chem Biol 23: 978-991 (2016)

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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PubMed
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...


Cell Chem Biol 23: 978-991 (2016)

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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PubMed
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...


Cell Chem Biol 23: 978-991 (2016)

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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PubMed
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...


Cell Chem Biol 23: 978-991 (2016)

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...


Cell Chem Biol 23: 978-991 (2016)

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...


Cell Chem Biol 23: 978-991 (2016)

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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PubMed
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...


Cell Chem Biol 23: 978-991 (2016)

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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PubMed
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...


Cell Chem Biol 23: 978-991 (2016)

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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192076
PNG
(Inz-67)
Show SMILES COC(=O)Cn1nc(-c2cccc(OCCN(C(C)C)C(C)C)c2)c2ccccc12
Show InChI InChI=1S/C24H31N3O3/c1-17(2)26(18(3)4)13-14-30-20-10-8-9-19(15-20)24-21-11-6-7-12-22(21)27(25-24)16-23(28)29-5/h6-12,15,17-18H,13-14,16H2,1-5H3
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PubMed
n/an/a 1.93E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
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 2.13E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
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 2.81E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192015
PNG
(Inz-6)
Show SMILES COC(=O)Cn1nc(-c2cccc(OC)c2)c2ccccc12
Show InChI InChI=1S/C17H16N2O3/c1-21-13-7-5-6-12(10-13)17-14-8-3-4-9-15(14)19(18-17)11-16(20)22-2/h3-10H,11H2,1-2H3
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n/an/a 2.84E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
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 3.51E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192028
PNG
(Inz-19)
Show SMILES COC(=O)Cn1nc(-c2ccccc2F)c2ccccc12
Show InChI InChI=1S/C16H13FN2O2/c1-21-15(20)10-19-14-9-5-3-7-12(14)16(18-19)11-6-2-4-8-13(11)17/h2-9H,10H2,1H3
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n/an/a 3.60E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192010
PNG
(Inz-1)
Show SMILES COC(=O)Cn1nc(-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C16H14N2O2/c1-20-15(19)11-18-14-10-6-5-9-13(14)16(17-18)12-7-3-2-4-8-12/h2-10H,11H2,1H3
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n/an/a 4.53E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
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 5.44E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192037
PNG
(Inz-28)
Show SMILES FC(F)(F)Cn1nc(-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C15H11F3N2/c16-15(17,18)10-20-13-9-5-4-8-12(13)14(19-20)11-6-2-1-3-7-11/h1-9H,10H2
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n/an/a>6.40E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192038
PNG
(Inz-29)
Show SMILES C(c1cncs1)n1nc(-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C17H13N3S/c1-2-6-13(7-3-1)17-15-8-4-5-9-16(15)20(19-17)11-14-10-18-12-21-14/h1-10,12H,11H2
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n/an/a>6.40E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192039
PNG
(Inz-30)
Show SMILES C(c1nccs1)n1nc(-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C17H13N3S/c1-2-6-13(7-3-1)17-14-8-4-5-9-15(14)20(19-17)12-16-18-10-11-21-16/h1-11H,12H2
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n/an/a>6.40E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192040
PNG
(Inz-31)
Show SMILES Cc1cc(Cn2nc(-c3ccccc3)c3ccccc23)on1
Show InChI InChI=1S/C18H15N3O/c1-13-11-15(22-20-13)12-21-17-10-6-5-9-16(17)18(19-21)14-7-3-2-4-8-14/h2-11H,12H2,1H3
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n/an/a>6.40E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192041
PNG
(Inz-32)
Show SMILES Cc1nnc(Cn2nc(-c3ccccc3)c3ccccc23)o1
Show InChI InChI=1S/C17H14N4O/c1-12-18-19-16(22-12)11-21-15-10-6-5-9-14(15)17(20-21)13-7-3-2-4-8-13/h2-10H,11H2,1H3
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n/an/a>6.40E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192042
PNG
(Inz-33)
Show SMILES C(c1nn[nH]n1)n1nc(-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C15H12N6/c1-2-6-11(7-3-1)15-12-8-4-5-9-13(12)21(18-15)10-14-16-19-20-17-14/h1-9H,10H2,(H,16,17,19,20)
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n/an/a>6.40E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192043
PNG
(Inz-34)
Show SMILES Cn1nnc(Cn2nc(-c3ccccc3)c3ccccc23)n1
Show InChI InChI=1S/C16H14N6/c1-21-18-15(17-20-21)11-22-14-10-6-5-9-13(14)16(19-22)12-7-3-2-4-8-12/h2-10H,11H2,1H3
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n/an/a>6.40E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192044
PNG
(Inz-35)
Show SMILES Cn1cc(Cn2nc(-c3ccccc3)c3ccccc23)nn1
Show InChI InChI=1S/C17H15N5/c1-21-11-14(18-20-21)12-22-16-10-6-5-9-15(16)17(19-22)13-7-3-2-4-8-13/h2-11H,12H2,1H3
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n/an/a>6.40E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192045
PNG
(Inz-36)
Show SMILES C(c1ncccn1)n1nc(-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C18H14N4/c1-2-7-14(8-3-1)18-15-9-4-5-10-16(15)22(21-18)13-17-19-11-6-12-20-17/h1-12H,13H2
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n/an/a>6.40E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192046
PNG
(Inz-37)
Show SMILES C(c1cnccn1)n1nc(-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C18H14N4/c1-2-6-14(7-3-1)18-16-8-4-5-9-17(16)22(21-18)13-15-12-19-10-11-20-15/h1-12H,13H2
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n/an/a>6.40E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
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>6.40E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192050
PNG
(Inz-41)
Show SMILES COC(=O)Cn1nc(-c2cccc(O)c2)c2ccccc12
Show InChI InChI=1S/C16H14N2O3/c1-21-15(20)10-18-14-8-3-2-7-13(14)16(17-18)11-5-4-6-12(19)9-11/h2-9,19H,10H2,1H3
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n/an/a>6.40E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192051
PNG
(Inz-42)
Show SMILES COC(=O)Cn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc12
Show InChI InChI=1S/C23H20N2O3/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/h2-14H,15-16H2,1H3
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n/an/a>6.40E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192052
PNG
(Inz-43)
Show SMILES CCC(=O)Cn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc12
Show InChI InChI=1S/C24H22N2O2/c1-2-20(27)16-26-23-14-7-6-13-22(23)24(25-26)19-11-8-12-21(15-19)28-17-18-9-4-3-5-10-18/h3-15H,2,16-17H2,1H3
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n/an/a>6.40E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192053
PNG
(Inz-44)
Show SMILES Cn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc12
Show InChI InChI=1S/C21H18N2O/c1-23-20-13-6-5-12-19(20)21(22-23)17-10-7-11-18(14-17)24-15-16-8-3-2-4-9-16/h2-14H,15H2,1H3
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n/an/a>6.40E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192055
PNG
(Inz-46)
Show SMILES C(Oc1cccc(c1)-c1n[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C20H16N2O/c1-2-7-15(8-3-1)14-23-17-10-6-9-16(13-17)20-18-11-4-5-12-19(18)21-22-20/h1-13H,14H2,(H,21,22)
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n/an/a>6.40E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192056
PNG
(Inz-47)
Show SMILES OC(=O)Cn1nc(-c2cccc(OCc3ccccc3)c2)c2ccccc12
Show InChI InChI=1S/C22H18N2O3/c25-21(26)14-24-20-12-5-4-11-19(20)22(23-24)17-9-6-10-18(13-17)27-15-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,25,26)
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n/an/a>6.40E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192057
PNG
(Inz-48)
Show SMILES COC(=O)Cn1ccc(n1)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C19H18N2O3/c1-23-19(22)13-21-11-10-18(20-21)16-8-5-9-17(12-16)24-14-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3
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n/an/a>6.40E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
Cytochrome b


(Homo sapiens (Human))
BDBM192058
PNG
(Inz-49)
Show SMILES COC(=O)Cn1ncc2ccccc12
Show InChI InChI=1S/C10H10N2O2/c1-14-10(13)7-12-9-5-3-2-4-8(9)6-11-12/h2-6H,7H2,1H3
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n/an/a>6.40E+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...


Cell Chem Biol 23: 978-991 (2016)

More data for this
Ligand-Target Pair
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