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PubMed code 20667741

Compile data set for download or QSAR
Found 11 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
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase


Bioorg Med Chem 18: 5807-15 (2010)


Article DOI: 10.1016/j.bmc.2010.06.107
BindingDB Entry DOI: 10.7270/Q2KH0NHN
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50324109
PNG
(3,4,5-Trimethoxy-2',4'-di-O-prenylchalcone | CHEMB...)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(OCC=C(C)C)cc2OCC=C(C)C)cc(OC)c1OC
Show InChI InChI=1S/C28H34O6/c1-19(2)12-14-33-22-9-10-23(25(18-22)34-15-13-20(3)4)24(29)11-8-21-16-26(30-5)28(32-7)27(17-21)31-6/h8-13,16-18H,14-15H2,1-7H3/b11-8+
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase


Bioorg Med Chem 18: 5807-15 (2010)


Article DOI: 10.1016/j.bmc.2010.06.107
BindingDB Entry DOI: 10.7270/Q2KH0NHN
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50324108
PNG
(3,4-Dimethoxy-2',4'-di-O-prenylchalcone | CHEMBL12...)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(OCC=C(C)C)cc2OCC=C(C)C)cc1OC
Show InChI InChI=1S/C27H32O5/c1-19(2)13-15-31-22-9-10-23(26(18-22)32-16-14-20(3)4)24(28)11-7-21-8-12-25(29-5)27(17-21)30-6/h7-14,17-18H,15-16H2,1-6H3/b11-7+
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase


Bioorg Med Chem 18: 5807-15 (2010)


Article DOI: 10.1016/j.bmc.2010.06.107
BindingDB Entry DOI: 10.7270/Q2KH0NHN
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50324106
PNG
(2,3-Dimethoxy-2',4'-di-O-prenylchalcone | CHEMBL12...)
Show SMILES COc1cccc(\C=C\C(=O)c2ccc(OCC=C(C)C)cc2OCC=C(C)C)c1OC
Show InChI InChI=1S/C27H32O5/c1-19(2)14-16-31-22-11-12-23(26(18-22)32-17-15-20(3)4)24(28)13-10-21-8-7-9-25(29-5)27(21)30-6/h7-15,18H,16-17H2,1-6H3/b13-10+
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase


Bioorg Med Chem 18: 5807-15 (2010)


Article DOI: 10.1016/j.bmc.2010.06.107
BindingDB Entry DOI: 10.7270/Q2KH0NHN
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50324107
PNG
(2,3,4-Trimethoxy-2',4'-di-O-prenylchalcone | CHEMB...)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(OCC=C(C)C)cc2OCC=C(C)C)c(OC)c1OC
Show InChI InChI=1S/C28H34O6/c1-19(2)14-16-33-22-10-11-23(26(18-22)34-17-15-20(3)4)24(29)12-8-21-9-13-25(30-5)28(32-7)27(21)31-6/h8-15,18H,16-17H2,1-7H3/b12-8+
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PubMed
n/an/a 4.90E+4n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase


Bioorg Med Chem 18: 5807-15 (2010)


Article DOI: 10.1016/j.bmc.2010.06.107
BindingDB Entry DOI: 10.7270/Q2KH0NHN
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50324103
PNG
(2'-Hydroxy-3,4-dimethoxy-4'-O-prenylchalcone | CHE...)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(OCC=C(C)C)cc2O)cc1OC
Show InChI InChI=1S/C22H24O5/c1-15(2)11-12-27-17-7-8-18(20(24)14-17)19(23)9-5-16-6-10-21(25-3)22(13-16)26-4/h5-11,13-14,24H,12H2,1-4H3/b9-5+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase


Bioorg Med Chem 18: 5807-15 (2010)


Article DOI: 10.1016/j.bmc.2010.06.107
BindingDB Entry DOI: 10.7270/Q2KH0NHN
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50324104
PNG
(2'-Hydroxy-3,4,5-trimethoxy-4'-O-prenylchalcone | ...)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(OCC=C(C)C)cc2O)cc(OC)c1OC
Show InChI InChI=1S/C23H26O6/c1-15(2)10-11-29-17-7-8-18(20(25)14-17)19(24)9-6-16-12-21(26-3)23(28-5)22(13-16)27-4/h6-10,12-14,25H,11H2,1-5H3/b9-6+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase


Bioorg Med Chem 18: 5807-15 (2010)


Article DOI: 10.1016/j.bmc.2010.06.107
BindingDB Entry DOI: 10.7270/Q2KH0NHN
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50324101
PNG
(2'-Hydroxy-2,3-dimethoxy-4'-O-prenylchalcone | CHE...)
Show SMILES COc1cccc(\C=C\C(=O)c2ccc(OCC=C(C)C)cc2O)c1OC
Show InChI InChI=1S/C22H24O5/c1-15(2)12-13-27-17-9-10-18(20(24)14-17)19(23)11-8-16-6-5-7-21(25-3)22(16)26-4/h5-12,14,24H,13H2,1-4H3/b11-8+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase


Bioorg Med Chem 18: 5807-15 (2010)


Article DOI: 10.1016/j.bmc.2010.06.107
BindingDB Entry DOI: 10.7270/Q2KH0NHN
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50324105
PNG
(4-Methoxy-2',4'-di-O-prenylchalcone | CHEMBL121504...)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(OCC=C(C)C)cc2OCC=C(C)C)cc1
Show InChI InChI=1S/C26H30O4/c1-19(2)14-16-29-23-11-12-24(26(18-23)30-17-15-20(3)4)25(27)13-8-21-6-9-22(28-5)10-7-21/h6-15,18H,16-17H2,1-5H3/b13-8+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase


Bioorg Med Chem 18: 5807-15 (2010)


Article DOI: 10.1016/j.bmc.2010.06.107
BindingDB Entry DOI: 10.7270/Q2KH0NHN
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50324102
PNG
(2'-Hydroxy-2,3,4-trimethoxy-4'-O-prenylchalcone | ...)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(OCC=C(C)C)cc2O)c(OC)c1OC
Show InChI InChI=1S/C23H26O6/c1-15(2)12-13-29-17-8-9-18(20(25)14-17)19(24)10-6-16-7-11-21(26-3)23(28-5)22(16)27-4/h6-12,14,25H,13H2,1-5H3/b10-6+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase


Bioorg Med Chem 18: 5807-15 (2010)


Article DOI: 10.1016/j.bmc.2010.06.107
BindingDB Entry DOI: 10.7270/Q2KH0NHN
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM29149
PNG
(substituted chalcone, 5c)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(OCC=C(C)C)cc2O)cc1
Show InChI InChI=1S/C21H22O4/c1-15(2)12-13-25-18-9-10-19(21(23)14-18)20(22)11-6-16-4-7-17(24-3)8-5-16/h4-12,14,23H,13H2,1-3H3/b11-6+
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase


Bioorg Med Chem 18: 5807-15 (2010)


Article DOI: 10.1016/j.bmc.2010.06.107
BindingDB Entry DOI: 10.7270/Q2KH0NHN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%