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PubMed code 23747224

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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
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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PubMed
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...


Bioorg Med Chem Lett 23: 4099-101 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.051
BindingDB Entry DOI: 10.7270/Q2Z3212D
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...


Bioorg Med Chem Lett 23: 4099-101 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.051
BindingDB Entry DOI: 10.7270/Q2Z3212D
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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Article
PubMed
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...


Bioorg Med Chem Lett 23: 4099-101 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.051
BindingDB Entry DOI: 10.7270/Q2Z3212D
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...


Bioorg Med Chem Lett 23: 4099-101 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.051
BindingDB Entry DOI: 10.7270/Q2Z3212D
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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PubMed
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...


Bioorg Med Chem Lett 23: 4099-101 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.051
BindingDB Entry DOI: 10.7270/Q2Z3212D
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50436921
PNG
(CHEMBL2402010)
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/b14-13-
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Article
PubMed
n/an/a 7.52E+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...


Bioorg Med Chem Lett 23: 4099-101 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.051
BindingDB Entry DOI: 10.7270/Q2Z3212D
More data for this
Ligand-Target Pair
Isocitrate lyase


(Candida albicans)
BDBM50436920
PNG
(CHEMBL2402009)
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/b15-14-
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PubMed
n/an/a 1.22E+5n/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...


Bioorg Med Chem Lett 23: 4099-101 (2013)


Article DOI: 10.1016/j.bmcl.2013.05.051
BindingDB Entry DOI: 10.7270/Q2Z3212D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%