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Found 90 hits Enz. Inhib. hit(s) with Target = 'Isocitrate lyase' 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
Isocitrate lyase


(Candida albicans)
BDBM50329696
PNG
((3-Bromo-4,5-dihydroxyphenyl)(2,3-dibromo-4,5-dihy...)
Show SMILES Oc1cc(cc(Br)c1O)C(=O)c1cc(O)c(O)c(Br)c1Br
Show InChI InChI=1S/C13H7Br3O5/c14-6-1-4(2-7(17)12(6)20)11(19)5-3-8(18)13(21)10(16)9(5)15/h1-3,17-18,20-21H
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n/an/a 2.65E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50351162
PNG
(CHEMBL1818098 | CHEMBL1818099)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCc3ccoc3)\C(CC[C@H]21)=C\OS([O-])(=O)=O
Show InChI InChI=1S/C25H38O5S/c1-23(2)12-5-13-25(4)21(23)10-14-24(3)20(8-6-18-11-15-29-16-18)19(7-9-22(24)25)17-30-31(26,27)28/h11,15-17,20-22H,5-10,12-14H2,1-4H3,(H,26,27,28)/p-1/b19-17+/t20-,21-,22-,24+,25-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Citation and Details
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 6.00E+3n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50402853
PNG
(CHEMBL2204152)
Show SMILES Oc1ccc(cc1Br)C1=C(C(=O)c2cc(Br)c(O)c(Br)c2)C(=O)O\C1=C/c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C24H11Br5O6/c25-12-6-10(1-2-17(12)30)19-18(5-9-3-13(26)22(32)14(27)4-9)35-24(34)20(19)21(31)11-7-15(28)23(33)16(29)8-11/h1-8,30,32-33H/b18-5-
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n/an/a 7.62E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida albicans ATCC 10231 ICL using phenylhydrazine and isocitrate as substrate assessed as formation of glyoxylate pheny...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50329695
PNG
(Bis(3-bromo-4,5-dihydroxyphenyl)methanone | CHEMBL...)
Show SMILES Oc1cc(cc(Br)c1O)C(=O)c1cc(O)c(O)c(Br)c1
Show InChI InChI=1S/C13H8Br2O5/c14-7-1-5(3-9(16)12(7)19)11(18)6-2-8(15)13(20)10(17)4-6/h1-4,16-17,19-20H
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n/an/a 8.89E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50402853
PNG
(CHEMBL2204152)
Show SMILES Oc1ccc(cc1Br)C1=C(C(=O)c2cc(Br)c(O)c(Br)c2)C(=O)O\C1=C/c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C24H11Br5O6/c25-12-6-10(1-2-17(12)30)19-18(5-9-3-13(26)22(32)14(27)4-9)35-24(34)20(19)21(31)11-7-15(28)23(33)16(29)8-11/h1-8,30,32-33H/b18-5-
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n/an/a 8.90E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase by spectrophotmeric analysis


Citation and Details
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 9.00E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50402850
PNG
(CHEMBL2204157)
Show SMILES COC(=O)C1=C(C(=O)OC1=C(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C25H12Br6O7/c1-37-24(35)19-18(10-6-15(30)22(34)16(31)7-10)25(36)38-23(19)17(8-2-11(26)20(32)12(27)3-8)9-4-13(28)21(33)14(29)5-9/h2-7,32-34H,1H3
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n/an/a 1.04E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida albicans ATCC 10231 ICL using phenylhydrazine and isocitrate as substrate assessed as formation of glyoxylate pheny...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50402850
PNG
(CHEMBL2204157)
Show SMILES COC(=O)C1=C(C(=O)OC1=C(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C25H12Br6O7/c1-37-24(35)19-18(10-6-15(30)22(34)16(31)7-10)25(36)38-23(19)17(8-2-11(26)20(32)12(27)3-8)9-4-13(28)21(33)14(29)5-9/h2-7,32-34H,1H3
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n/an/a 1.08E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase by spectrophotmeric analysis


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50329693
PNG
(Bis(2,3-dibromo-4,5-dihydroxyphenyl)ether | CHEMBL...)
Show SMILES Oc1cc(Oc2cc(O)c(O)c(Br)c2Br)c(Br)c(Br)c1O
Show InChI InChI=1S/C12H6Br4O5/c13-7-5(1-3(17)11(19)9(7)15)21-6-2-4(18)12(20)10(16)8(6)14/h1-2,17-20H
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n/an/a 1.16E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase


Citation and Details
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 1.39E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida albicans ATCC 10231 ICL using phenylhydrazine and isocitrate as substrate assessed as formation of glyoxylate pheny...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50329699
PNG
(2,2',3-Tribromo-4,4',5,5'-tetrahydroxybibenzyl | C...)
Show SMILES Oc1cc(Br)c(CCc2cc(O)c(O)c(Br)c2Br)cc1O
Show InChI InChI=1S/C14H11Br3O4/c15-8-5-10(19)9(18)3-6(8)1-2-7-4-11(20)14(21)13(17)12(7)16/h3-5,18-21H,1-2H2
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n/an/a 1.48E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50329700
PNG
((2-Bromo-4,5-dihydroxybenzyl)(2,3-dibromo-4,5-dihy...)
Show SMILES Oc1cc(Br)c(COCc2cc(O)c(O)c(Br)c2Br)cc1O
Show InChI InChI=1S/C14H11Br3O5/c15-8-3-10(19)9(18)1-6(8)4-22-5-7-2-11(20)14(21)13(17)12(7)16/h1-3,18-21H,4-5H2
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n/an/a 1.56E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50351162
PNG
(CHEMBL1818098 | CHEMBL1818099)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCc3ccoc3)\C(CC[C@H]21)=C\OS([O-])(=O)=O
Show InChI InChI=1S/C25H38O5S/c1-23(2)12-5-13-25(4)21(23)10-14-24(3)20(8-6-18-11-15-29-16-18)19(7-9-22(24)25)17-30-31(26,27)28/h11,15-17,20-22H,5-10,12-14H2,1-4H3,(H,26,27,28)/p-1/b19-17+/t20-,21-,22-,24+,25-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50436922
PNG
(CHEMBL2402008)
Show SMILES COc1ccc(\C=C2/OC(=O)C([C@@H](O)c3cc(Br)c(OC)c(Br)c3)=C2c2cc(Br)c(O)c(Br)c2)cc1
Show InChI InChI=1S/C26H18Br4O6/c1-34-15-5-3-12(4-6-15)7-20-21(13-8-16(27)24(32)17(28)9-13)22(26(33)36-20)23(31)14-10-18(29)25(35-2)19(30)11-14/h3-11,23,31-32H,1-2H3/b20-7-/t23-/m0/s1
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n/an/a 1.72E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida albicans ATCC 10231 ICL using phenylhydrazine and isocitrate as substrate assessed as formation of glyoxylate pheny...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50358279
PNG
(CHEMBL1922395)
Show SMILES Oc1cc(O)c(cc1Br)C(c1cc(Br)c(O)cc1O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C19H12Br2Cl2O4/c20-10-4-8(14(24)6-16(10)26)18(19-12(22)2-1-3-13(19)23)9-5-11(21)17(27)7-15(9)25/h1-7,18,24-27H
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n/an/a 1.79E+4n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50329688
PNG
(2,2',3,3'-tetrabromo-4,4',5,5'-tetrahydroxydipheny...)
Show SMILES Oc1cc(Cc2cc(O)c(O)c(Br)c2Br)c(Br)c(Br)c1O
Show InChI InChI=1S/C13H8Br4O4/c14-8-4(2-6(18)12(20)10(8)16)1-5-3-7(19)13(21)11(17)9(5)15/h2-3,18-21H,1H2
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n/an/a 1.84E+4n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50329688
PNG
(2,2',3,3'-tetrabromo-4,4',5,5'-tetrahydroxydipheny...)
Show SMILES Oc1cc(Cc2cc(O)c(O)c(Br)c2Br)c(Br)c(Br)c1O
Show InChI InChI=1S/C13H8Br4O4/c14-8-4(2-6(18)12(20)10(8)16)1-5-3-7(19)13(21)11(17)9(5)15/h2-3,18-21H,1H2
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n/an/a 1.84E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50206257
PNG
(CHEMBL387584 | CHEMBL450482 | halisulfate 1 | sodi...)
Show SMILES C[C@H](CCC\C(C)=C\Cc1cc(O)ccc1O)[C@@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)OS([O-])(=O)=O
Show InChI InChI=1S/C31H48O6S/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(37-38(34,35)36)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6/h11-12,14-15,19,23,26,28-29,32-33H,7-10,13,16-18,20H2,1-6H3,(H,34,35,36)/p-1/b21-11+/t23-,26+,28-,29+,31-/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50358281
PNG
(CHEMBL1922397)
Show SMILES Oc1cc(O)c(cc1Br)C(c1ccc(cc1)[N+]([O-])=O)c1cc(Br)c(O)cc1O
Show InChI InChI=1S/C19H13Br2NO6/c20-13-5-11(15(23)7-17(13)25)19(9-1-3-10(4-2-9)22(27)28)12-6-14(21)18(26)8-16(12)24/h1-8,19,23-26H
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n/an/a 2.07E+4n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50329698
PNG
(2,2'-Dibromo-4,4',5,5'-tetrahydroxybibenzyl | CHEM...)
Show SMILES Oc1cc(Br)c(CCc2cc(O)c(O)cc2Br)cc1O
Show InChI InChI=1S/C14H12Br2O4/c15-9-5-13(19)11(17)3-7(9)1-2-8-4-12(18)14(20)6-10(8)16/h3-6,17-20H,1-2H2
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n/an/a 2.12E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50329694
PNG
(Bis(3,4-dihydroxyphenyl)methanone | CHEMBL1269420 ...)
Show SMILES Oc1ccc(cc1O)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C13H10O5/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,14-17H
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n/an/a 2.26E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50274512
PNG
(CHEMBL1818097 | CHEMBL484213 | [amino(dimethylamin...)
Show SMILES C[C@@H]1CCC=C(C)[C@@]1(C)CC\C(C)=C\CCC(CCCc1ccoc1)COS([O-])(=O)=O
Show InChI InChI=1S/C25H40O5S/c1-20(14-16-25(4)21(2)9-6-10-22(25)3)8-5-11-23(19-30-31(26,27)28)12-7-13-24-15-17-29-18-24/h8-9,15,17-18,22-23H,5-7,10-14,16,19H2,1-4H3,(H,26,27,28)/p-1/b20-8+/t22-,23?,25-/m1/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50358278
PNG
(CHEMBL1922394)
Show SMILES Oc1ccc(cc1)C(c1cc(Br)c(O)cc1O)c1cc(Br)c(O)cc1O
Show InChI InChI=1S/C19H14Br2O5/c20-13-5-11(15(23)7-17(13)25)19(9-1-3-10(22)4-2-9)12-6-14(21)18(26)8-16(12)24/h1-8,19,22-26H
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n/an/a 2.59E+4n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50402849
PNG
(CHEMBL2204158)
Show SMILES COC(=O)C(C(=O)c1cc(Br)c(O)c(Br)c1)=C(C(=O)OC)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C19H12Br4O7/c1-29-18(27)13(7-3-9(20)16(25)10(21)4-7)14(19(28)30-2)15(24)8-5-11(22)17(26)12(23)6-8/h3-6,25-26H,1-2H3
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n/an/a 2.63E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase by spectrophotmeric analysis


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50358280
PNG
(CHEMBL1922396)
Show SMILES Oc1cc(O)c(cc1Br)C(c1cccc(c1)[N+]([O-])=O)c1cc(Br)c(O)cc1O
Show InChI InChI=1S/C19H13Br2NO6/c20-13-5-11(15(23)7-17(13)25)19(9-2-1-3-10(4-9)22(27)28)12-6-14(21)18(26)8-16(12)24/h1-8,19,23-26H
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n/an/a 2.68E+4n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50358277
PNG
(CHEMBL1922393)
Show SMILES CCCCCC(c1cc(Br)c(O)cc1O)c1cc(Br)c(O)cc1O
Show InChI InChI=1S/C18H20Br2O4/c1-2-3-4-5-10(11-6-13(19)17(23)8-15(11)21)12-7-14(20)18(24)9-16(12)22/h6-10,21-24H,2-5H2,1H3
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50329701
PNG
(CHEMBL491516 | bis(2, 3-dibromo-4,5-dihydroxybenzy...)
Show SMILES Oc1cc(COCc2cc(O)c(O)c(Br)c2Br)c(Br)c(Br)c1O
Show InChI InChI=1S/C14H10Br4O5/c15-9-5(1-7(19)13(21)11(9)17)3-23-4-6-2-8(20)14(22)12(18)10(6)16/h1-2,19-22H,3-4H2
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n/an/a 2.81E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50329692
PNG
(Bis(2-bromo-4,5-dihydroxyphenyl)ether | CHEMBL1269...)
Show SMILES Oc1cc(Br)c(Oc2cc(O)c(O)cc2Br)cc1O
Show InChI InChI=1S/C12H8Br2O5/c13-5-1-7(15)9(17)3-11(5)19-12-4-10(18)8(16)2-6(12)14/h1-4,15-18H
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n/an/a 3.09E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50274514
PNG
(CHEMBL492072 | [amino(dimethylamino)methylidene]az...)
Show SMILES C[C@@H]1CC[C@@]2(C)[C@H](CCCC2=C)[C@@]1(C)CC[C@H](CCCc1ccoc1)COS([O-])(=O)=O
Show InChI InChI=1S/C25H40O5S/c1-19-7-5-10-23-24(19,3)14-11-20(2)25(23,4)15-12-21(18-30-31(26,27)28)8-6-9-22-13-16-29-17-22/h13,16-17,20-21,23H,1,5-12,14-15,18H2,2-4H3,(H,26,27,28)/p-1/t20-,21+,23+,24-,25+/m1/s1
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n/an/a 3.13E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of candida albicans isocitrate lyase


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50274513
PNG
(CHEMBL483377 | [amino(dimethylamino)methylidene]az...)
Show SMILES C[C@@H]1CCC2=C(CCCC2(C)C)[C@@]1(C)CC[C@H](CCCc1ccoc1)COS([O-])(=O)=O
Show InChI InChI=1S/C25H40O5S/c1-19-10-11-22-23(9-6-14-24(22,2)3)25(19,4)15-12-20(18-30-31(26,27)28)7-5-8-21-13-16-29-17-21/h13,16-17,19-20H,5-12,14-15,18H2,1-4H3,(H,26,27,28)/p-1/t19-,20+,25+/m1/s1
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n/an/a 3.38E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of candida albicans isocitrate lyase


Citation and Details
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 3.86E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50358286
PNG
(CHEMBL1922402)
Show SMILES Oc1ccc(C(c2ccc(cc2)[N+]([O-])=O)c2cc(Br)c(O)cc2O)c(O)c1
Show InChI InChI=1S/C19H14BrNO6/c20-15-8-14(17(24)9-18(15)25)19(13-6-5-12(22)7-16(13)23)10-1-3-11(4-2-10)21(26)27/h1-9,19,22-25H
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n/an/a 4.12E+4n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50274475
PNG
(CHEMBL491665 | sodium (2R,3R)-9-(2,5-dihydroxyphen...)
Show SMILES C[C@H](CCC\C(C)=C\Cc1cc(O)ccc1O)[C@@H](C[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C)OS([O-])(=O)=O
Show InChI InChI=1S/C31H48O6S/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(37-38(34,35)36)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6/h11,14-15,19,23,26,28-29,32-33H,2,7-10,12-13,16-18,20H2,1,3-6H3,(H,34,35,36)/p-1/b21-11+/t23-,26+,28-,29+,31-/m1/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50329689
PNG
(2,2'-dibromo-4,4',5,5'-tetrahydroxydiphenylmethane...)
Show SMILES Oc1cc(Br)c(Cc2cc(O)c(O)cc2Br)cc1O
Show InChI InChI=1S/C13H10Br2O4/c14-8-4-12(18)10(16)2-6(8)1-7-3-11(17)13(19)5-9(7)15/h2-5,16-19H,1H2
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n/an/a 4.62E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50358282
PNG
(CHEMBL1922398)
Show SMILES CCCCCC(c1ccc(O)cc1O)c1cc(Br)c(O)cc1O
Show InChI InChI=1S/C18H21BrO4/c1-2-3-4-5-12(13-7-6-11(20)8-16(13)21)14-9-15(19)18(23)10-17(14)22/h6-10,12,20-23H,2-5H2,1H3
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n/an/a 4.66E+4n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase after 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50402848
PNG
(CHEMBL2204159)
Show SMILES COC(=O)C(C(=O)c1cc(Br)c(O)c(Br)c1)=C(C(=O)OC)c1ccc(O)c(Br)c1
Show InChI InChI=1S/C19H13Br3O7/c1-28-18(26)14(8-3-4-13(23)10(20)5-8)15(19(27)29-2)16(24)9-6-11(21)17(25)12(22)7-9/h3-7,23,25H,1-2H3
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n/an/a 4.76E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase by spectrophotmeric analysis


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50386875
PNG
(CHEMBL403176)
Show SMILES Oc1ccc(cc1)C(=O)c1nccc2c3ccccc3[nH]c12
Show InChI InChI=1S/C18H12N2O2/c21-12-7-5-11(6-8-12)18(22)17-16-14(9-10-19-17)13-3-1-2-4-15(13)20-16/h1-10,20-21H
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n/an/a 4.82E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50402852
PNG
(CHEMBL2204155)
Show SMILES COc1c(Br)cc(cc1Br)[C@H](O)C1=C(\C(OC1=O)=C\c1ccc(O)c(Br)c1)c1ccc(O)c(Br)c1
Show InChI InChI=1S/C25H16Br4O6/c1-34-24-16(28)9-13(10-17(24)29)23(32)22-21(12-3-5-19(31)15(27)8-12)20(35-25(22)33)7-11-2-4-18(30)14(26)6-11/h2-10,23,30-32H,1H3/b20-7-/t23-/m0/s1
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n/an/a 4.88E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida albicans ATCC 10231 ICL using phenylhydrazine and isocitrate as substrate assessed as formation of glyoxylate pheny...


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50402852
PNG
(CHEMBL2204155)
Show SMILES COc1c(Br)cc(cc1Br)[C@H](O)C1=C(\C(OC1=O)=C\c1ccc(O)c(Br)c1)c1ccc(O)c(Br)c1
Show InChI InChI=1S/C25H16Br4O6/c1-34-24-16(28)9-13(10-17(24)29)23(32)22-21(12-3-5-19(31)15(27)8-12)20(35-25(22)33)7-11-2-4-18(30)14(26)6-11/h2-10,23,30-32H,1H3/b20-7-/t23-/m0/s1
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n/an/a 4.98E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase by spectrophotmeric analysis


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50386865
PNG
(CHEMBL2048337)
Show SMILES Oc1ccc(cc1)C(=O)c1nccc2c3cc(Br)ccc3[nH]c12
Show InChI InChI=1S/C18H11BrN2O2/c19-11-3-6-15-14(9-11)13-7-8-20-17(16(13)21-15)18(23)10-1-4-12(22)5-2-10/h1-9,21-22H
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n/an/a 5.02E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


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


Citation and Details
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



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of candida albicans isocitrate lyase


Citation and Details
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


Citation and Details
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



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase


Citation and Details
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 5.10E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50351171
PNG
(CHEMBL1818096)
Show SMILES C[C@H](CCC\C(C)=C/Cc1cc(O)ccc1O)[C@@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)OS([O-])(=O)=O
Show InChI InChI=1S/C31H48O6S/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(37-38(34,35)36)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6/h11-12,14-15,19,23,26,28-29,32-33H,7-10,13,16-18,20H2,1-6H3,(H,34,35,36)/p-1/b21-11-/t23-,26+,28-,29+,31-/m1/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Citation and Details
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 5.39E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase by spectrophotmeric analysis


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50351164
PNG
(CHEMBL1818100)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCC3=CC(=O)O[C@@H]3O)\C(CC[C@H]21)=C\OS([O-])(=O)=O
Show InChI InChI=1S/C25H38O7S/c1-23(2)11-5-12-25(4)19(23)10-13-24(3)18(8-6-16-14-21(26)32-22(16)27)17(7-9-20(24)25)15-31-33(28,29)30/h14-15,18-20,22,27H,5-13H2,1-4H3,(H,28,29,30)/p-1/b17-15+/t18-,19-,20-,22-,24+,25-/m0/s1
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n/an/a 5.60E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Citation and Details
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50329697
PNG
(4,4'-(ethane-1,2-diyl)dibenzene-1,2-diol | CHEMBL1...)
Show SMILES Oc1ccc(CCc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C14H14O4/c15-11-5-3-9(7-13(11)17)1-2-10-4-6-12(16)14(18)8-10/h3-8,15-18H,1-2H2
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n/an/a 5.85E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans ATCC 10231 isocitrate lyase


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Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50351170
PNG
(CHEMBL1818105)
Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCC3=CCNC3=O)\C(CC[C@H]21)=C\OS([O-])(=O)=O
Show InChI InChI=1S/C25H39NO5S/c1-23(2)12-5-13-25(4)20(23)10-14-24(3)19(8-6-17-11-15-26-22(17)27)18(7-9-21(24)25)16-31-32(28,29)30/h11,16,19-21H,5-10,12-15H2,1-4H3,(H,26,27)(H,28,29,30)/p-1/b18-16+/t19-,20-,21-,24+,25-/m0/s1
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n/an/a 6.20E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans isocitrate lyase


Citation and Details
More data for this
Ligand-Target Pair
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