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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Isocitrate lyase' AND taxid = 242507   
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


(Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)
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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Article
PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



Korea Ocean Research and Development Institute

Curated by ChEMBL


Assay Description
Inhibition of Magnaporthe grisea Guy 11 isocitrate lyase


Bioorg Med Chem Lett 17: 2483-6 (2007)

More data for this
Ligand-Target Pair
Isocitrate lyase


(Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)
BDBM50206259
PNG
(CHEMBL230058 | hydrohalisulfate 1)
Show SMILES C[C@H](CCC\C(C)=C\Cc1cc(O)ccc1O)[C@H](O)C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C
Show InChI InChI=1S/C31H48O3/c1-21(11-13-24-19-25(32)14-15-27(24)33)9-7-10-23(3)28(34)20-26-22(2)12-16-29-30(4,5)17-8-18-31(26,29)6/h11-12,14-15,19,23,26,28-29,32-34H,7-10,13,16-18,20H2,1-6H3/b21-11+/t23-,26+,28-,29+,31-/m1/s1
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PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Korea Ocean Research and Development Institute

Curated by ChEMBL


Assay Description
Inhibition of Magnaporthe grisea Guy 11 isocitrate lyase


Bioorg Med Chem Lett 17: 2483-6 (2007)

More data for this
Ligand-Target Pair
Isocitrate lyase


(Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)
BDBM50370994
PNG
(CHEMBL230057)
Show SMILES C[C@@H]1CC[C@@]2(C)[C@H](CCCC2=C)[C@@]1(C)CCC(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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PubMed
n/an/a 6.74E+4n/an/an/an/an/an/a



Korea Ocean Research and Development Institute

Curated by ChEMBL


Assay Description
Inhibition of Magnaporthe grisea Guy 11 isocitrate lyase


Bioorg Med Chem Lett 17: 2483-6 (2007)

More data for this
Ligand-Target Pair
Isocitrate lyase


(Magnaporthe oryzae (strain 70-15 / FGSC 8958) (Ric...)
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 9.24E+4n/an/an/an/an/an/a



Korea Ocean Research and Development Institute

Curated by ChEMBL


Assay Description
Inhibition of Magnaporthe grisea Guy 11 isocitrate lyase


Bioorg Med Chem Lett 17: 2483-6 (2007)

More data for this
Ligand-Target Pair