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Compile Data Set for Download or QSAR

Found 106 hits Enz. Inhib. hit(s) with Target = 'Cytochrome b' AND taxid = 5476   
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


(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/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


(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/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


(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/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


(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/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


(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/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


(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/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


(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/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


(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/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


(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/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


(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/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


(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/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


(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/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


(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/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


(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/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


(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/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


(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/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


(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/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


(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/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


(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/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


(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/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


(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/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


(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/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


(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/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


(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/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


(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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PubMed
n/an/a 1.01E+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


(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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n/an/a 1.06E+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


(Candida albicans (Yeast))
BDBM192075
PNG
(Inz-66)
Show SMILES COC(=O)Cn1nc(-c2cccc(OCc3ccccc3)c2C)c2ccccc12
Show InChI InChI=1S/C24H22N2O3/c1-17-19(12-8-14-22(17)29-16-18-9-4-3-5-10-18)24-20-11-6-7-13-21(20)26(25-24)15-23(27)28-2/h3-14H,15-16H2,1-2H3
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n/an/a 1.09E+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...


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More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 1.14E+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...


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More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
BDBM192092
PNG
(Inz-83)
Show SMILES Cn1nnc(Cn2nc(-c3cc(ccc3F)C(F)(F)F)c3ccccc23)n1
Show InChI InChI=1S/C17H12F4N6/c1-26-23-15(22-25-26)9-27-14-5-3-2-4-11(14)16(24-27)12-8-10(17(19,20)21)6-7-13(12)18/h2-8H,9H2,1H3
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n/an/a 1.22E+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


(Candida albicans (Yeast))
BDBM192069
PNG
(Inz-60)
Show SMILES COC(=O)Cn1nc(-c2cccc(F)c2F)c2ccccc12
Show InChI InChI=1S/C16H12F2N2O2/c1-22-14(21)9-20-13-8-3-2-5-10(13)16(19-20)11-6-4-7-12(17)15(11)18/h2-8H,9H2,1H3
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n/an/a 1.43E+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


(Candida albicans (Yeast))
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 1.52E+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


(Candida albicans (Yeast))
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 1.80E+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


(Candida albicans (Yeast))
BDBM192112
PNG
(Inz-103)
Show SMILES CNc1ccc2c(nn(Cc3cnccn3)c2c1)-c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C20H15F4N5/c1-25-13-3-4-15-18(9-13)29(11-14-10-26-6-7-27-14)28-19(15)16-8-12(20(22,23)24)2-5-17(16)21/h2-10,25H,11H2,1H3
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n/an/a 2.13E+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


(Candida albicans (Yeast))
BDBM192068
PNG
(Inz-59)
Show SMILES COC(=O)Cn1nc(-c2c(F)cccc2F)c2ccccc12
Show InChI InChI=1S/C16H12F2N2O2/c1-22-14(21)9-20-13-8-3-2-5-10(13)16(19-20)15-11(17)6-4-7-12(15)18/h2-8H,9H2,1H3
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n/an/a 2.36E+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


(Candida albicans (Yeast))
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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n/an/a 2.40E+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


(Candida albicans (Yeast))
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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PubMed
n/an/a 2.97E+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
Cytochrome b


(Candida albicans (Yeast))
BDBM192078
PNG
(Inz-69)
Show SMILES COC(=O)Cn1nc(-c2cccc(OCc3ccccc3)c2F)c2ccccc12
Show InChI InChI=1S/C23H19FN2O3/c1-28-21(27)14-26-19-12-6-5-10-17(19)23(25-26)18-11-7-13-20(22(18)24)29-15-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3
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PubMed
n/an/a 3.27E+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


(Candida albicans (Yeast))
BDBM192026
PNG
(Inz-17)
Show SMILES COC(=O)Cn1nc(-c2ccccc2C)c2ccccc12
Show InChI InChI=1S/C17H16N2O2/c1-12-7-3-4-8-13(12)17-14-9-5-6-10-15(14)19(18-17)11-16(20)21-2/h3-10H,11H2,1-2H3
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PubMed
n/an/a 3.37E+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


(Candida albicans (Yeast))
BDBM192061
PNG
(Inz-52)
Show SMILES COC(=O)Cn1nc(-c2ccccc2O)c2ccccc12
Show InChI InChI=1S/C16H14N2O3/c1-21-15(20)10-18-13-8-4-2-6-11(13)16(17-18)12-7-3-5-9-14(12)19/h2-9,19H,10H2,1H3
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n/an/a 3.57E+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...


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More data for this
Ligand-Target Pair
Cytochrome b


(Candida albicans (Yeast))
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 3.79E+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


(Candida albicans (Yeast))
BDBM192071
PNG
(Inz-62)
Show SMILES COC(=O)Cn1nc(-c2cc(F)ccc2C)c2ccccc12
Show InChI InChI=1S/C17H15FN2O2/c1-11-7-8-12(18)9-14(11)17-13-5-3-4-6-15(13)20(19-17)10-16(21)22-2/h3-9H,10H2,1-2H3
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n/an/a 4.70E+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


(Candida albicans (Yeast))
BDBM192027
PNG
(Inz-18)
Show SMILES COC(=O)Cn1nc(-c2ccccc2Cl)c2ccccc12
Show InChI InChI=1S/C16H13ClN2O2/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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PubMed
n/an/a 5.41E+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


(Candida albicans (Yeast))
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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PubMed
n/an/a 5.42E+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


(Candida albicans (Yeast))
BDBM192109
PNG
(Inz-100)
Show SMILES Nc1ccc2c(nn(Cc3cnccn3)c2c1)-c1cc(ccc1F)C(F)(F)F
Show InChI InChI=1S/C19H13F4N5/c20-16-4-1-11(19(21,22)23)7-15(16)18-14-3-2-12(24)8-17(14)28(27-18)10-13-9-25-5-6-26-13/h1-9H,10,24H2
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n/an/a 5.48E+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


(Candida albicans (Yeast))
BDBM192079
PNG
(Inz-70)
Show SMILES COC(=O)Cn1nc(-c2cccc(F)c2)c2ccccc12
Show InChI InChI=1S/C16H13FN2O2/c1-21-15(20)10-19-14-8-3-2-7-13(14)16(18-19)11-5-4-6-12(17)9-11/h2-9H,10H2,1H3
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PubMed
n/an/a 5.91E+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


(Candida albicans (Yeast))
BDBM192021
PNG
(Inz-12)
Show SMILES COC(=O)Cn1nc(-c2cccc(c2)[N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C16H13N3O4/c1-23-15(20)10-18-14-8-3-2-7-13(14)16(17-18)11-5-4-6-12(9-11)19(21)22/h2-9H,10H2,1H3
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PubMed
n/an/a 6.07E+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


(Candida albicans (Yeast))
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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PubMed
n/an/a 7.24E+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


(Candida albicans (Yeast))
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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PubMed
n/an/a 8.09E+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


(Candida albicans (Yeast))
BDBM192022
PNG
(Inz-13)
Show SMILES COC(=O)Cn1nc(-c2ccsc2)c2ccccc12
Show InChI InChI=1S/C14H12N2O2S/c1-18-13(17)8-16-12-5-3-2-4-11(12)14(15-16)10-6-7-19-9-10/h2-7,9H,8H2,1H3
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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...


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


(Candida albicans (Yeast))
BDBM192020
PNG
(Inz-11)
Show SMILES COC(=O)Cn1nc(-c2cccc(c2)C#N)c2ccccc12
Show InChI InChI=1S/C17H13N3O2/c1-22-16(21)11-20-15-8-3-2-7-14(15)17(19-20)13-6-4-5-12(9-13)10-18/h2-9H,11H2,1H3
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PubMed
n/an/a 1.01E+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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