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Compile Data Set for Download or QSAR

Found 110 hits of ph data with Target = 'Arachidonate 5-lipoxygenase'   
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
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM50222303
PNG
(4',6,7,-trihydroxyisoflavone | 4',6,7-trihydroxyis...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)c(O)cc2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H
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PubMed
n/an/a>4.00E+4n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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PubMed
n/an/a 850n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM153375
PNG
(IR-3)
Show SMILES Cc1ccc(cc1)-c1coc2cc(O)c(O)cc2c1=O
Show InChI InChI=1S/C16H12O4/c1-9-2-4-10(5-3-9)12-8-20-15-7-14(18)13(17)6-11(15)16(12)19/h2-8,17-18H,1H3
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n/an/a 360n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM153376
PNG
(IR-4)
Show SMILES Oc1cc2occ(-c3ccccc3)c(=O)c2cc1O
Show InChI InChI=1S/C15H10O4/c16-12-6-10-14(7-13(12)17)19-8-11(15(10)18)9-4-2-1-3-5-9/h1-8,16-17H
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n/an/a>4.00E+4n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM106774
PNG
(3‐(4‐chlorophenyl)‐6,7‐dih...)
Show SMILES Oc1cc2occ(-c3ccc(Cl)cc3)c(=O)c2cc1O
Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,17-18H
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n/an/a 3.10E+4n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM106775
PNG
(6,7‐dihydroxy‐3‐(4‐nitroph...)
Show SMILES Oc1cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2cc1O
Show InChI InChI=1S/C15H9NO6/c17-12-5-10-14(6-13(12)18)22-7-11(15(10)19)8-1-3-9(4-2-8)16(20)21/h1-7,17-18H
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n/an/a 1.50E+3n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM106776
PNG
(3‐(3‐chlorophenyl)‐6,7‐dih...)
Show SMILES Oc1cc2occ(-c3cccc(Cl)c3)c(=O)c2cc1O
Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,17-18H
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n/an/a 390n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM153377
PNG
(IR-10)
Show SMILES Oc1cc2occ(-c3cccc(F)c3)c(=O)c2cc1O
Show InChI InChI=1S/C15H9FO4/c16-9-3-1-2-8(4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,17-18H
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n/an/a 490n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM106777
PNG
(7‐hydroxy‐3‐(4‐hydroxyphen...)
Show SMILES Cc1c(O)ccc2c1occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C16H12O4/c1-9-14(18)7-6-12-15(19)13(8-20-16(9)12)10-2-4-11(17)5-3-10/h2-8,17-18H,1H3
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n/an/a 1.20E+4n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM106778
PNG
(7‐hydroxy‐8‐methyl‐3‐...)
Show SMILES Cc1ccc(cc1)-c1coc2c(C)c(O)ccc2c1=O
Show InChI InChI=1S/C17H14O3/c1-10-3-5-12(6-4-10)14-9-20-17-11(2)15(18)8-7-13(17)16(14)19/h3-9,18H,1-2H3
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n/an/a 1.50E+3n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM106779
PNG
(7‐hydroxy‐8‐methyl‐3‐...)
Show SMILES Cc1c(O)ccc2c1occ(-c1ccc(cc1)[N+]([O-])=O)c2=O
Show InChI InChI=1S/C16H11NO5/c1-9-14(18)7-6-12-15(19)13(8-22-16(9)12)10-2-4-11(5-3-10)17(20)21/h2-8,18H,1H3
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n/an/a 3.00E+5n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM153378
PNG
(IR-213)
Show SMILES Cc1c(O)ccc2c1occ(-c1cccc(c1)C(F)(F)F)c2=O
Show InChI InChI=1S/C17H11F3O3/c1-9-14(21)6-5-12-15(22)13(8-23-16(9)12)10-3-2-4-11(7-10)17(18,19)20/h2-8,21H,1H3
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n/an/a 6.00E+5n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM50209568
PNG
(4',7,8-trihydroxyisoflavone | 7,8,4'-trihydroxyiso...)
Show SMILES Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H
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PubMed
n/an/a 900n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM50222297
PNG
(7,8-dihydroxy-4'-methylisoflavone | CHEMBL395449 |...)
Show SMILES Cc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O
Show InChI InChI=1S/C16H12O4/c1-9-2-4-10(5-3-9)12-8-20-16-11(14(12)18)6-7-13(17)15(16)19/h2-8,17,19H,1H3
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n/an/a 250n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM50222290
PNG
(3'-chloro-7,8-dihydroxyisoflavone | CHEMBL241815 |...)
Show SMILES Oc1ccc2c(occ(-c3cccc(Cl)c3)c2=O)c1O
Show InChI InChI=1S/C15H9ClO4/c16-9-3-1-2-8(6-9)11-7-20-15-10(13(11)18)4-5-12(17)14(15)19/h1-7,17,19H
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n/an/a 300n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM50222284
PNG
(7,8-dihydroxy-3'-methylisoflavone | CHEMBL238843 |...)
Show SMILES Cc1cccc(c1)-c1coc2c(O)c(O)ccc2c1=O
Show InChI InChI=1S/C16H12O4/c1-9-3-2-4-10(7-9)12-8-20-16-11(14(12)18)5-6-13(17)15(16)19/h2-8,17,19H,1H3
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n/an/a 300n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM106782
PNG
(7‐hydroxy‐3‐(4‐nitrophenyl...)
Show SMILES Oc1ccc2c(c1)occ(-c1ccc(cc1)[N+]([O-])=O)c2=O
Show InChI InChI=1S/C15H9NO5/c17-11-5-6-12-14(7-11)21-8-13(15(12)18)9-1-3-10(4-2-9)16(19)20/h1-8,17H
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n/an/a 5.00E+3n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM50139862
PNG
(3-(4-Hydroxy-phenyl)-chroman-6,7-diol | 4',6,7-tri...)
Show SMILES Oc1ccc(cc1)C1COc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C15H14O4/c16-12-3-1-9(2-4-12)11-5-10-6-13(17)14(18)7-15(10)19-8-11/h1-4,6-7,11,16-18H,5,8H2
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n/an/a 300n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM153379
PNG
(HIR-3)
Show SMILES Cc1ccc(cc1)C1COc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C16H16O3/c1-10-2-4-11(5-3-10)13-6-12-7-14(17)15(18)8-16(12)19-9-13/h2-5,7-8,13,17-18H,6,9H2,1H3
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n/an/a 280n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM153380
PNG
(HIR-9)
Show SMILES Cc1cccc(c1)C1COc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C16H16O3/c1-10-3-2-4-11(5-10)13-6-12-7-14(17)15(18)8-16(12)19-9-13/h2-5,7-8,13,17-18H,6,9H2,1H3
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n/an/a 500n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM153381
PNG
(HIR-11)
Show SMILES COc1ccc(cc1OC)C1COc2c(C1)ccc(O)c2O
Show InChI InChI=1S/C17H18O5/c1-20-14-6-4-10(8-15(14)21-2)12-7-11-3-5-13(18)16(19)17(11)22-9-12/h3-6,8,12,18-19H,7,9H2,1-2H3
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n/an/a 690n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM153382
PNG
(HIR-205)
Show SMILES Cc1c(O)ccc2CC(COc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClO2/c1-10-15(18)7-4-12-8-13(9-19-16(10)12)11-2-5-14(17)6-3-11/h2-7,13,18H,8-9H2,1H3
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n/an/a 7.10E+3n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM153383
PNG
(HIR-301)
Show SMILES Oc1ccc(cc1)C1COc2c(O)c(O)ccc2C1
Show InChI InChI=1S/C15H14O4/c16-12-4-1-9(2-5-12)11-7-10-3-6-13(17)14(18)15(10)19-8-11/h1-6,11,16-18H,7-8H2
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n/an/a 310n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM106787
PNG
(3‐(4‐methylphenyl)‐3,4‐dih...)
Show SMILES Cc1ccc(cc1)C1COc2c(C1)ccc(O)c2O
Show InChI InChI=1S/C16H16O3/c1-10-2-4-11(5-3-10)13-8-12-6-7-14(17)15(18)16(12)19-9-13/h2-7,13,17-18H,8-9H2,1H3
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n/an/a 180n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM106788
PNG
(3‐(3‐methylphenyl)‐3,4‐dih...)
Show SMILES Cc1cccc(c1)C1COc2c(C1)ccc(O)c2O
Show InChI InChI=1S/C16H16O3/c1-10-3-2-4-11(7-10)13-8-12-5-6-14(17)15(18)16(12)19-9-13/h2-7,13,17-18H,8-9H2,1H3
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n/an/a 150n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM50222287
PNG
(6,7-dihydroxy-4'-methoxyisoflavone | CHEMBL239028 ...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)c(O)cc2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-10-4-2-9(3-5-10)12-8-21-15-7-14(18)13(17)6-11(15)16(12)19/h2-8,17-18H,1H3
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n/an/a 1.20E+3n/an/an/an/a7.325



Universidad de Santiago



Assay Description
The reactions were done in a volume of 2 mL and constantly stirred using a magnetic stir bar at room temperature (23 C). Reactions with the crude, a...


Chem Biol Drug Des 86: 114-21 (2015)


Article DOI: 10.1111/cbdd.12469
BindingDB Entry DOI: 10.7270/Q2PZ57JF
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM24554
PNG
(Pirinixic acid-based compound, 2c | ethyl 2-{[4-ch...)
Show SMILES CCOC(=O)CSc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1
Show InChI InChI=1S/C17H15ClN4O2S/c1-2-24-16(23)10-25-17-21-14(18)9-15(22-17)20-12-5-6-13-11(8-12)4-3-7-19-13/h3-9H,2,10H2,1H3,(H,20,21,22)
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n/an/an/an/a 2.60E+3n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM24555
PNG
(2-{[4-chloro-6-(2,3-dihydro-1H-inden-4-ylamino)pyr...)
Show SMILES OC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCc23)n1
Show InChI InChI=1S/C15H14ClN3O2S/c16-12-7-13(19-15(18-12)22-8-14(20)21)17-11-6-2-4-9-3-1-5-10(9)11/h2,4,6-7H,1,3,5,8H2,(H,20,21)(H,17,18,19)
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n/an/an/an/a 3.90E+3n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM24556
PNG
(Pirinixic acid-based compound, 2h | ethyl 2-{[4-ch...)
Show SMILES CCOC(=O)CSc1nc(Cl)cc(Nc2cccc3CCCc23)n1
Show InChI InChI=1S/C17H18ClN3O2S/c1-2-23-16(22)10-24-17-20-14(18)9-15(21-17)19-13-8-4-6-11-5-3-7-12(11)13/h4,6,8-9H,2-3,5,7,10H2,1H3,(H,19,20,21)
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n/an/an/an/a 3.20E+3n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM24557
PNG
(Pirinixic acid-based compound, 4b | ethyl 2-({4-ch...)
Show SMILES CCOC(=O)C(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)c1ccccc1
Show InChI InChI=1S/C22H22ClN3O2S/c1-4-28-21(27)20(16-10-6-5-7-11-16)29-22-25-18(23)13-19(26-22)24-17-12-8-9-14(2)15(17)3/h5-13,20H,4H2,1-3H3,(H,24,25,26)
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n/an/an/an/a 1.80E+3n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM24558
PNG
(Pirinixic acid-based compound, 4d | ethyl 2-{[4-ch...)
Show SMILES CCOC(=O)C(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)c1ccccc1
Show InChI InChI=1S/C23H19ClN4O2S/c1-2-30-22(29)21(15-7-4-3-5-8-15)31-23-27-19(24)14-20(28-23)26-17-10-11-18-16(13-17)9-6-12-25-18/h3-14,21H,2H2,1H3,(H,26,27,28)
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n/an/an/an/a 1.20E+3n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM24559
PNG
(Pirinixic acid-based compound, 5b | ethyl 2-{[4-ch...)
Show SMILES CCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC
Show InChI InChI=1S/C21H23ClN4O2S/c1-3-5-8-17(20(27)28-4-2)29-21-25-18(22)13-19(26-21)24-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,3-5,8H2,1-2H3,(H,24,25,26)
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n/an/an/an/a 1.10E+3n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM24560
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(O)=O
Show InChI InChI=1S/C20H26ClN3O2S/c1-4-5-6-7-11-16(19(25)26)27-20-23-17(21)12-18(24-20)22-15-10-8-9-13(2)14(15)3/h8-10,12,16H,4-7,11H2,1-3H3,(H,25,26)(H,22,23,24)
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n/an/an/an/a 4.10E+3n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM24561
PNG
(CHEMBL459722 | Pirinixic acid-based compound, 6d |...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC
Show InChI InChI=1S/C23H27ClN4O2S/c1-3-5-6-7-10-19(22(29)30-4-2)31-23-27-20(24)15-21(28-23)26-17-11-12-18-16(14-17)9-8-13-25-18/h8-9,11-15,19H,3-7,10H2,1-2H3,(H,26,27,28)
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n/an/a 1.90E+4n/a 600n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For determination of the activity of 5-LO in 100000g supernatants, aliquots of the supernatants were added to reaction mix, and were preincubated wit...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM24562
PNG
(Pirinixic acid-based compound, 6f | ethyl 2-{[4-ch...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(Oc2ccc3ncccc3c2)n1)C(=O)OCC
Show InChI InChI=1S/C23H26ClN3O3S/c1-3-5-6-7-10-19(22(28)29-4-2)31-23-26-20(24)15-21(27-23)30-17-11-12-18-16(14-17)9-8-13-25-18/h8-9,11-15,19H,3-7,10H2,1-2H3
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n/an/an/an/a 1.70E+3n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM24564
PNG
(2-{[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(O)=O
Show InChI InChI=1S/C21H23ClN4O2S/c1-2-3-4-5-8-17(20(27)28)29-21-25-18(22)13-19(26-21)24-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 3.40E+4n/an/an/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For determination of the activity of 5-LO in 100000g supernatants, aliquots of the supernatants were added to reaction mix, and were preincubated wit...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM24565
PNG
(2-({4-chloro-6-[(quinolin-6-ylmethyl)amino]pyrimid...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCc2ccc3ncccc3c2)n1)C(O)=O
Show InChI InChI=1S/C22H25ClN4O2S/c1-2-3-4-5-8-18(21(28)29)30-22-26-19(23)13-20(27-22)25-14-15-9-10-17-16(12-15)7-6-11-24-17/h6-7,9-13,18H,2-5,8,14H2,1H3,(H,28,29)(H,25,26,27)
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n/an/a 3.10E+4n/an/an/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For determination of the activity of 5-LO in 100000g supernatants, aliquots of the supernatants were added to reaction mix, and were preincubated wit...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM24563
PNG
(Pirinixic acid-based compound, 6h | ethyl 2-({4-ch...)
Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCc2ccc3ncccc3c2)n1)C(=O)OCC
Show InChI InChI=1S/C24H29ClN4O2S/c1-3-5-6-7-10-20(23(30)31-4-2)32-24-28-21(25)15-22(29-24)27-16-17-11-12-19-18(14-17)9-8-13-26-19/h8-9,11-15,20H,3-7,10,16H2,1-2H3,(H,27,28,29)
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n/an/a 3.70E+4n/a 1.40E+3n/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For determination of the activity of 5-LO in 100000g supernatants, aliquots of the supernatants were added to reaction mix, and were preincubated wit...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM22334
PNG
(BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...)
Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+
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n/an/a 200n/an/an/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For determination of the activity of 5-LO in 100000g supernatants, aliquots of the supernatants were added to reaction mix, and were preincubated wit...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/an/an/an/an/an/a7.437



Eberhard-Karls-University Tuebingen



Assay Description
For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...


J Med Chem 51: 5449-53 (2008)


Article DOI: 10.1021/jm800588x
BindingDB Entry DOI: 10.7270/Q2SN077B
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM22318
PNG
(2-piperazinyl-5-hydroxyindole, 3f | ethyl 5-hydrox...)
Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C21H23N3O3/c1-2-27-21(26)19-17-14-16(25)8-9-18(17)22-20(19)24-12-10-23(11-13-24)15-6-4-3-5-7-15/h3-9,14,22,25H,2,10-13H2,1H3
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n/an/a 3.10E+3n/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM22320
PNG
(2-piperazinyl-5-methoxyindole, 7f | ethyl 5-methox...)
Show SMILES CCOC(=O)c1c(N2CCN(CC2)c2ccccc2)n(C)c2ccc(OC)cc12
Show InChI InChI=1S/C23H27N3O3/c1-4-29-23(27)21-19-16-18(28-3)10-11-20(19)24(2)22(21)26-14-12-25(13-15-26)17-8-6-5-7-9-17/h5-11,16H,4,12-15H2,1-3H3
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n/an/an/an/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM22321
PNG
(2-piperazinyl-5-hydroxyindole, 3g | ethyl 2-[4-(4-...)
Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C21H22FN3O3/c1-2-28-21(27)19-17-13-16(26)7-8-18(17)23-20(19)25-11-9-24(10-12-25)15-5-3-14(22)4-6-15/h3-8,13,23,26H,2,9-12H2,1H3
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n/an/an/an/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM22322
PNG
(2-piperazinyl-5-hydroxyindole, 3h | ethyl 2-[4-(4-...)
Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22ClN3O3/c1-2-28-21(27)19-17-13-16(26)7-8-18(17)23-20(19)25-11-9-24(10-12-25)15-5-3-14(22)4-6-15/h3-8,13,23,26H,2,9-12H2,1H3
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n/an/a 2.30E+3n/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM22323
PNG
(2-piperazinyl-5-hydroxyindole, 3i | ethyl 2-(4-ben...)
Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H25N3O3/c1-2-28-22(27)20-18-14-17(26)8-9-19(18)23-21(20)25-12-10-24(11-13-25)15-16-6-4-3-5-7-16/h3-9,14,23,26H,2,10-13,15H2,1H3
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n/an/an/an/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM22324
PNG
(2-amino-5-hydroxyindole, 3j | ethyl 5-hydroxy-2-(p...)
Show SMILES CCOC(=O)c1c(Nc2ccccc2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C17H16N2O3/c1-2-22-17(21)15-13-10-12(20)8-9-14(13)19-16(15)18-11-6-4-3-5-7-11/h3-10,18-20H,2H2,1H3
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n/an/a 2.30E+3n/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM22325
PNG
(2-amino-5-hydroxyindole, 3k | ethyl 5-hydroxy-2-[(...)
Show SMILES CCOC(=O)c1c(Nc2ccc(C)cc2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C18H18N2O3/c1-3-23-18(22)16-14-10-13(21)8-9-15(14)20-17(16)19-12-6-4-11(2)5-7-12/h4-10,19-21H,3H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM22326
PNG
(2-amino-5-hydroxyindole, 3l | ethyl 5-hydroxy-2-[(...)
Show SMILES CCOC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C19H20N2O3/c1-3-24-19(23)17-15-11-14(22)9-10-16(15)21-18(17)20-12(2)13-7-5-4-6-8-13/h4-12,20-22H,3H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM22327
PNG
(2-aminoindole, 9a | methyl 2-[(1-phenylethyl)amino...)
Show SMILES COC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C18H18N2O2/c1-12(13-8-4-3-5-9-13)19-17-16(18(21)22-2)14-10-6-7-11-15(14)20-17/h3-12,19-20H,1-2H3
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n/an/an/an/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (human))
BDBM22328
PNG
(2-amino-5-hydroxyindole, 14 | methyl 5-hydroxy-2-[...)
Show SMILES COC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C18H18N2O3/c1-11(12-6-4-3-5-7-12)19-17-16(18(22)23-2)14-10-13(21)8-9-15(14)20-17/h3-11,19-21H,1-2H3
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n/an/an/an/an/an/an/a7.437



Friedrich Alexander University Erlangen



Assay Description
Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...


J Med Chem 49: 4327-32 (2006)


Article DOI: 10.1021/jm050801i
BindingDB Entry DOI: 10.7270/Q2PC30PQ
More data for this
Ligand-Target Pair
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