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Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'achari' and Initial = 'c'   
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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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))
BDBM50006811
PNG
(2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p...)
Show SMILES Cc1c(C)c(O)c(C=CCCC#CCCCC#CCO)c(C)c1O
Show InChI InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h12,14,22-24H,5,7-10,15H2,1-3H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
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))
BDBM50359871
PNG
(CHEMBL1929096)
Show SMILES CSc1ccc(COCC#CC(O)c2ccc(cc2)C(C)C)cc1
Show InChI InChI=1S/C21H24O2S/c1-16(2)18-8-10-19(11-9-18)21(22)5-4-14-23-15-17-6-12-20(24-3)13-7-17/h6-13,16,21-22H,14-15H2,1-3H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
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))
BDBM50359870
PNG
(CHEMBL1929095)
Show SMILES CSc1ccc(COCC#CC(O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H17FO2S/c1-22-17-10-4-14(5-11-17)13-21-12-2-3-18(20)15-6-8-16(19)9-7-15/h4-11,18,20H,12-13H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
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))
BDBM50359868
PNG
(CHEMBL1929093)
Show SMILES CSc1ccc(COCC#CC(O)c2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C19H17NO2S/c1-23-18-10-6-16(7-11-18)14-22-12-2-3-19(21)17-8-4-15(13-20)5-9-17/h4-11,19,21H,12,14H2,1H3
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n/an/a 4.10E+4n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
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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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))
BDBM50359869
PNG
(CHEMBL1929094)
Show SMILES CSc1ccc(COCC#CC(O)c2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C18H17NO4S/c1-24-17-9-7-14(8-10-17)13-23-11-3-6-18(20)15-4-2-5-16(12-15)19(21)22/h2,4-5,7-10,12,18,20H,11,13H2,1H3
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n/an/a 6.20E+4n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50359864
PNG
(CHEMBL1929089)
Show SMILES COc1cccc(C(O)C#CCOCc2ccc(SC)cc2)c1OC
Show InChI InChI=1S/C20H22O4S/c1-22-19-8-4-6-17(20(19)23-2)18(21)7-5-13-24-14-15-9-11-16(25-3)12-10-15/h4,6,8-12,18,21H,13-14H2,1-3H3
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50359865
PNG
(CHEMBL1929090)
Show SMILES COc1ccc(C(O)C#CCOCc2ccc(SC)cc2)c(OC)c1OC
Show InChI InChI=1S/C21H24O5S/c1-23-19-12-11-17(20(24-2)21(19)25-3)18(22)6-5-13-26-14-15-7-9-16(27-4)10-8-15/h7-12,18,22H,13-14H2,1-4H3
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n/an/a 7.20E+4n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50359866
PNG
(CHEMBL1929091)
Show SMILES COc1ccc(cc1OC)C(O)C#CCOCc1ccc(SC)cc1
Show InChI InChI=1S/C20H22O4S/c1-22-19-11-8-16(13-20(19)23-2)18(21)5-4-12-24-14-15-6-9-17(25-3)10-7-15/h6-11,13,18,21H,12,14H2,1-3H3
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n/an/a 8.00E+4n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50359867
PNG
(CHEMBL1929092)
Show SMILES COc1cc(cc(OC)c1OC)C(O)C#CCOCc1ccc(SC)cc1
Show InChI InChI=1S/C21H24O5S/c1-23-19-12-16(13-20(24-2)21(19)25-3)18(22)6-5-11-26-14-15-7-9-17(27-4)10-8-15/h7-10,12-13,18,22H,11,14H2,1-4H3
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n/an/a 8.00E+4n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50359863
PNG
(CHEMBL1929088)
Show SMILES COc1ccc(cc1)C(O)C#CCOCc1ccc(SC)cc1
Show InChI InChI=1S/C19H20O3S/c1-21-17-9-7-16(8-10-17)19(20)4-3-13-22-14-15-5-11-18(23-2)12-6-15/h5-12,19-20H,13-14H2,1-2H3
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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-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50359862
PNG
(CHEMBL1929087)
Show SMILES CCCCCC(O)C#CCOCc1ccc(SC)cc1
Show InChI InChI=1S/C17H24O2S/c1-3-4-5-7-16(18)8-6-13-19-14-15-9-11-17(20-2)12-10-15/h9-12,16,18H,3-5,7,13-14H2,1-2H3
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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-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50359861
PNG
(CHEMBL1929086)
Show SMILES OC(C#CCOCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H16O2/c18-17(16-10-5-2-6-11-16)12-7-13-19-14-15-8-3-1-4-9-15/h1-6,8-11,17-18H,13-14H2
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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-LOX assessed as decrease in oxygen concentration using arachidonic acid as substrate by polarigraphic method with Clark's oxygen elec...


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
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))
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))
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))
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
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))
BDBM50359860
PNG
(CHEMBL1929097)
Show SMILES CCCC(O)C#CCOCc1ccccc1
Show InChI InChI=1S/C14H18O2/c1-2-7-14(15)10-6-11-16-12-13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,7,11-12H2,1H3
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n/an/a 7.60E+5n/an/an/an/an/an/a



University of Hyderabad

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX


Eur J Med Chem 47: 351-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.11.003
BindingDB Entry DOI: 10.7270/Q2TT4RCW
More data for this
Ligand-Target Pair