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Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'chung' and Initial = 'sc'   
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
Sortase family protein


(Staphylococcus aureus)
BDBM50476977
PNG
(Isoaaptamine)
Show SMILES COc1cc2ccnc3ccn(C)c(c1O)c23
Show InChI InChI=1S/C13H12N2O2/c1-15-6-4-9-11-8(3-5-14-9)7-10(17-2)13(16)12(11)15/h3-7,16H,1-2H3
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n/an/a 1.62E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of SrtA


Bioorg Med Chem Lett 17: 5366-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.007
BindingDB Entry DOI: 10.7270/Q29S1TSZ
More data for this
Ligand-Target Pair
Sortase family protein


(Staphylococcus aureus)
BDBM50203126
PNG
(3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...)
Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
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n/an/a 2.58E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of SrtA


Bioorg Med Chem Lett 17: 5366-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.007
BindingDB Entry DOI: 10.7270/Q29S1TSZ
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50480795
PNG
(3-Nitroporpionic Acid | 3-Nitropropionate | 3-Nitr...)
Show SMILES OC(=O)CC[N+]([O-])=O
Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)
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n/an/a 3.52E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry


Bioorg Med Chem Lett 21: 1958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.035
BindingDB Entry DOI: 10.7270/Q2377CJB
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50274515
PNG
(3-nitropropanoic acid | 3-nitropropionic acid | Bo...)
Show SMILES [O-]C(=O)CC[N+]([O-])=O
Show InChI InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1
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n/an/a 5.07E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Bioorg Med Chem Lett 19: 1051-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.017
BindingDB Entry DOI: 10.7270/Q2CC11MP
More data for this
Ligand-Target Pair
Sortase family protein


(Staphylococcus aureus)
BDBM50476978
PNG
(Demethylaaptamine)
Show SMILES Oc1cc2ccnc3cc[nH]c(c1O)c23
Show InChI InChI=1S/C11H8N2O2/c14-8-5-6-1-3-12-7-2-4-13-10(9(6)7)11(8)15/h1-5,13-15H
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n/an/a 8.49E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of SrtA


Bioorg Med Chem Lett 17: 5366-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.007
BindingDB Entry DOI: 10.7270/Q29S1TSZ
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50276442
PNG
(CHEMBL459354 | hyrtiosin B)
Show SMILES Oc1ccc2[nH]cc(C(=O)C(=O)c3c[nH]c4ccc(O)cc34)c2c1
Show InChI InChI=1S/C18H12N2O4/c21-9-1-3-15-11(5-9)13(7-19-15)17(23)18(24)14-8-20-16-4-2-10(22)6-12(14)16/h1-8,19-22H
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n/an/a 8.90E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Bioorg Med Chem Lett 19: 1051-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.017
BindingDB Entry DOI: 10.7270/Q2CC11MP
More data for this
Ligand-Target Pair
Sortase family protein


(Staphylococcus aureus)
BDBM50476979
PNG
(DEMETHYLOXY-AAPTAMINE | Demethyloxyaaptamine | Dem...)
Show SMILES COC1=Cc2ccnc3ccnc(C1=O)c23 |t:2|
Show InChI InChI=1S/C12H8N2O2/c1-16-9-6-7-2-4-13-8-3-5-14-11(10(7)8)12(9)15/h2-6H,1H3
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n/an/a 9.42E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of SrtA


Bioorg Med Chem Lett 17: 5366-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.007
BindingDB Entry DOI: 10.7270/Q29S1TSZ
More data for this
Ligand-Target Pair
Sortase family protein


(Staphylococcus aureus)
BDBM50356012
PNG
(AAPTAMINE)
Show SMILES COc1cc2ccnc3cc[nH]c(c1OC)c23
Show InChI InChI=1S/C13H12N2O2/c1-16-10-7-8-3-5-14-9-4-6-15-12(11(8)9)13(10)17-2/h3-7,15H,1-2H3
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n/an/a 1.05E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of SrtA


Bioorg Med Chem Lett 17: 5366-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.007
BindingDB Entry DOI: 10.7270/Q29S1TSZ
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50483676
PNG
(Sargachromanol L)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](-[#6]-[#8])-[#6](\[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1 |r|
Show InChI InChI=1S/C27H40O3/c1-19(2)15-24(18-28)21(4)11-7-9-20(3)10-8-13-27(6)14-12-23-17-25(29)16-22(5)26(23)30-27/h10-11,15-17,24,28-29H,7-9,12-14,18H2,1-6H3/b20-10+,21-11+/t24?,27-/m1/s1
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n/an/a 1.16E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry


Bioorg Med Chem Lett 21: 1958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.035
BindingDB Entry DOI: 10.7270/Q2377CJB
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50483669
PNG
(Sargachromanol P)
Show SMILES [H][C@@]1([#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]2([#6])[#6]-[#6]-c3cc(-[#8])cc(-[#6])c3-[#8]2)[#6]=[#6](-[#6])-[#6](=O)[C@@]1([H])\[#6]=[#6](/[#6])-[#6] |r,t:23|
Show InChI InChI=1S/C27H36O3/c1-17(2)12-24-22(14-19(4)25(24)29)13-18(3)8-7-10-27(6)11-9-21-16-23(28)15-20(5)26(21)30-27/h8,12,14-16,22,24,28H,7,9-11,13H2,1-6H3/b18-8+/t22-,24+,27-/m1/s1
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n/an/a 1.49E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry


Bioorg Med Chem Lett 21: 1958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.035
BindingDB Entry DOI: 10.7270/Q2377CJB
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50483668
PNG
(Sargachromanol M)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](\[#6]=O)=[#6](\[#6])-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1 |r|
Show InChI InChI=1S/C27H38O3/c1-19(2)15-24(18-28)21(4)11-7-9-20(3)10-8-13-27(6)14-12-23-17-25(29)16-22(5)26(23)30-27/h10,15-18,29H,7-9,11-14H2,1-6H3/b20-10+,24-21+/t27-/m1/s1
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n/an/a 1.72E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry


Bioorg Med Chem Lett 21: 1958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.035
BindingDB Entry DOI: 10.7270/Q2377CJB
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50483662
PNG
(SARGACHROMANOL A)
Show SMILES C\C(CC\C=C(/C)C=O)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
Show InChI InChI=1S/C22H30O3/c1-16(7-5-8-17(2)15-23)9-6-11-22(4)12-10-19-14-20(24)13-18(3)21(19)25-22/h8-9,13-15,24H,5-7,10-12H2,1-4H3/b16-9+,17-8+/t22-/m1/s1
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n/an/a 1.83E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry


Bioorg Med Chem Lett 21: 1958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.035
BindingDB Entry DOI: 10.7270/Q2377CJB
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50276441
PNG
(5-hydroxyindole-3-carbaldehyde | CHEMBL506465)
Show SMILES Oc1ccc2[nH]cc(C=O)c2c1
Show InChI InChI=1S/C9H7NO2/c11-5-6-4-10-9-2-1-7(12)3-8(6)9/h1-5,10,12H
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n/an/a 2.47E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Bioorg Med Chem Lett 19: 1051-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.017
BindingDB Entry DOI: 10.7270/Q2CC11MP
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/a 3.01E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Bioorg Med Chem Lett 19: 1051-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.017
BindingDB Entry DOI: 10.7270/Q2CC11MP
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50276440
PNG
(CHEMBL505766 | hyrtiosin A)
Show SMILES OCC(=O)c1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H9NO3/c12-5-10(14)8-4-11-9-2-1-6(13)3-7(8)9/h1-4,11-13H,5H2
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n/an/a 3.18E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Bioorg Med Chem Lett 19: 1051-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.017
BindingDB Entry DOI: 10.7270/Q2CC11MP
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50276408
PNG
(1-carboxy-6-hydroxy-3,4-dihydro-beta-carboline | C...)
Show SMILES OC(=O)C1=NCCc2c1[nH]c1ccc(O)cc21 |t:3|
Show InChI InChI=1S/C12H10N2O3/c15-6-1-2-9-8(5-6)7-3-4-13-11(12(16)17)10(7)14-9/h1-2,5,14-15H,3-4H2,(H,16,17)
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n/an/a 3.80E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Bioorg Med Chem Lett 19: 1051-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.017
BindingDB Entry DOI: 10.7270/Q2CC11MP
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50483665
PNG
(Sargachromanol F)
Show SMILES [#6]-[#8]-[#6](-[#6@H](-[#8])\[#6]=[#6](\[#6])-[#6])-[#6](\[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1 |r|
Show InChI InChI=1S/C28H42O4/c1-19(2)16-25(30)27(31-7)21(4)12-8-10-20(3)11-9-14-28(6)15-13-23-18-24(29)17-22(5)26(23)32-28/h11-12,16-18,25,27,29-30H,8-10,13-15H2,1-7H3/b20-11+,21-12+/t25-,27?,28-/m1/s1
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n/an/a>4.51E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry


Bioorg Med Chem Lett 21: 1958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.035
BindingDB Entry DOI: 10.7270/Q2377CJB
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50483671
PNG
(Sargachromanol J)
Show SMILES CC(C)C[C@H](O)C(=O)C(C)CCC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
Show InChI InChI=1S/C27H42O4/c1-18(2)15-24(29)25(30)20(4)11-7-9-19(3)10-8-13-27(6)14-12-22-17-23(28)16-21(5)26(22)31-27/h10,16-18,20,24,28-29H,7-9,11-15H2,1-6H3/b19-10+/t20?,24-,27+/m0/s1
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n/an/a>4.64E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry


Bioorg Med Chem Lett 21: 1958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.035
BindingDB Entry DOI: 10.7270/Q2377CJB
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50483667
PNG
(Sargachromanol I)
Show SMILES [#6]-[#6](-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1)-[#6](=O)-[#6@H](-[#8])\[#6]=[#6](\[#6])-[#6] |r|
Show InChI InChI=1S/C27H40O4/c1-18(2)15-24(29)25(30)20(4)11-7-9-19(3)10-8-13-27(6)14-12-22-17-23(28)16-21(5)26(22)31-27/h10,15-17,20,24,28-29H,7-9,11-14H2,1-6H3/b19-10+/t20?,24-,27-/m1/s1
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n/an/a>4.66E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry


Bioorg Med Chem Lett 21: 1958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.035
BindingDB Entry DOI: 10.7270/Q2377CJB
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50483663
PNG
(Sargachromano D | Sargachromanol D)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H](-[#8])-[#6@@H](-[#8])-[#6](\[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1 |r|
Show InChI InChI=1S/C27H40O4/c1-18(2)15-24(29)25(30)20(4)11-7-9-19(3)10-8-13-27(6)14-12-22-17-23(28)16-21(5)26(22)31-27/h10-11,15-17,24-25,28-30H,7-9,12-14H2,1-6H3/b19-10+,20-11+/t24-,25+,27-/m1/s1
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n/an/a>4.66E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry


Bioorg Med Chem Lett 21: 1958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.035
BindingDB Entry DOI: 10.7270/Q2377CJB
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50483664
PNG
(Sargachromanol E)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@H](-[#8])-[#6@@H](-[#8])-[#6](\[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1 |r|
Show InChI InChI=1S/C27H40O4/c1-18(2)15-24(29)25(30)20(4)11-7-9-19(3)10-8-13-27(6)14-12-22-17-23(28)16-21(5)26(22)31-27/h10-11,15-17,24-25,28-30H,7-9,12-14H2,1-6H3/b19-10+,20-11+/t24-,25-,27+/m0/s1
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n/an/a>4.66E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry


Bioorg Med Chem Lett 21: 1958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.035
BindingDB Entry DOI: 10.7270/Q2377CJB
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50483673
PNG
(Sargachromanol H)
Show SMILES CC(C)C[C@@H](O)C(=O)C(C)\C=C/C\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
Show InChI InChI=1S/C27H40O4/c1-18(2)15-24(29)25(30)20(4)11-7-9-19(3)10-8-13-27(6)14-12-22-17-23(28)16-21(5)26(22)31-27/h7,10-11,16-18,20,24,28-29H,8-9,12-15H2,1-6H3/b11-7-,19-10+/t20?,24-,27-/m1/s1
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n/an/a>4.66E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry


Bioorg Med Chem Lett 21: 1958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.035
BindingDB Entry DOI: 10.7270/Q2377CJB
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50483666
PNG
(Sargachromanol G)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6@@H](-[#8])-[#6](=O)-[#6](\[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1 |r|
Show InChI InChI=1S/C27H38O4/c1-18(2)15-24(29)25(30)20(4)11-7-9-19(3)10-8-13-27(6)14-12-22-17-23(28)16-21(5)26(22)31-27/h10-11,15-17,24,28-29H,7-9,12-14H2,1-6H3/b19-10+,20-11+/t24-,27-/m1/s1
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n/an/a>4.68E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry


Bioorg Med Chem Lett 21: 1958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.035
BindingDB Entry DOI: 10.7270/Q2377CJB
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50483677
PNG
(Sargachromanol O)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](-[#6](-[#8])=O)-[#6](\[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1 |r|
Show InChI InChI=1S/C27H38O4/c1-18(2)15-24(26(29)30)20(4)11-7-9-19(3)10-8-13-27(6)14-12-22-17-23(28)16-21(5)25(22)31-27/h10-11,15-17,24,28H,7-9,12-14H2,1-6H3,(H,29,30)/b19-10+,20-11+/t24?,27-/m1/s1
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n/an/a>4.68E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry


Bioorg Med Chem Lett 21: 1958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.035
BindingDB Entry DOI: 10.7270/Q2377CJB
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50483675
PNG
(Sargachromanol K)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6@@H](-[#8])-[#6](\[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1 |r|
Show InChI InChI=1S/C27H38O4/c1-18(2)15-24(29)25(30)20(4)11-7-9-19(3)10-8-13-27(6)14-12-22-17-23(28)16-21(5)26(22)31-27/h10-11,15-17,25,28,30H,7-9,12-14H2,1-6H3/b19-10+,20-11+/t25-,27+/m0/s1
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n/an/a>4.68E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry


Bioorg Med Chem Lett 21: 1958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.035
BindingDB Entry DOI: 10.7270/Q2377CJB
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50483670
PNG
(Sargachromanol C)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H](-[#8])-[#6](\[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1 |r|
Show InChI InChI=1S/C27H40O3/c1-19(2)12-13-25(29)21(4)11-7-9-20(3)10-8-15-27(6)16-14-23-18-24(28)17-22(5)26(23)30-27/h10-12,17-18,25,28-29H,7-9,13-16H2,1-6H3/b20-10+,21-11+/t25-,27-/m1/s1
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n/an/a>4.84E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry


Bioorg Med Chem Lett 21: 1958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.035
BindingDB Entry DOI: 10.7270/Q2377CJB
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50483674
PNG
(Sargachromano N | Sargachromanol N)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](\[#6]=O)=[#6](/[#6])-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]1([#6])[#6]-[#6]-c2cc(-[#8])cc(-[#6])c2-[#8]1 |r|
Show InChI InChI=1S/C27H38O3/c1-19(2)15-24(18-28)21(4)11-7-9-20(3)10-8-13-27(6)14-12-23-17-25(29)16-22(5)26(23)30-27/h10,15-18,29H,7-9,11-14H2,1-6H3/b20-10+,24-21-/t27-/m1/s1
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n/an/a>4.87E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry


Bioorg Med Chem Lett 21: 1958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.035
BindingDB Entry DOI: 10.7270/Q2377CJB
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50483672
PNG
(SARGACHROMANOL B)
Show SMILES C\C(CO)=C/CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1 |r|
Show InChI InChI=1S/C22H32O3/c1-16(7-5-8-17(2)15-23)9-6-11-22(4)12-10-19-14-20(24)13-18(3)21(19)25-22/h8-9,13-14,23-24H,5-7,10-12,15H2,1-4H3/b16-9+,17-8+/t22-/m1/s1
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n/an/a>5.80E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry


Bioorg Med Chem Lett 21: 1958-61 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.035
BindingDB Entry DOI: 10.7270/Q2377CJB
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50276439
PNG
(5-hydroxy-1H-indole-3-carboxylic acid methyl ester...)
Show SMILES COC(=O)c1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H9NO3/c1-14-10(13)8-5-11-9-3-2-6(12)4-7(8)9/h2-5,11-12H,1H3
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n/an/a 8.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Bioorg Med Chem Lett 19: 1051-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.017
BindingDB Entry DOI: 10.7270/Q2CC11MP
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50204438
PNG
(6-hydroxy-3,4-dihydro-1-oxo-beta-carboline | 6-hyd...)
Show SMILES Oc1ccc2[nH]c3c(CCNC3=O)c2c1
Show InChI InChI=1S/C11H10N2O2/c14-6-1-2-9-8(5-6)7-3-4-12-11(15)10(7)13-9/h1-2,5,13-14H,3-4H2,(H,12,15)
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PubMed
n/an/a>9.89E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Bioorg Med Chem Lett 19: 1051-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.017
BindingDB Entry DOI: 10.7270/Q2CC11MP
More data for this
Ligand-Target Pair