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13 similar compounds to monomer 50222277

Compile data set for download or QSAR
Wt: 256.2
BDBM153379
Wt: 256.2
BDBM153380
Wt: 258.2
BDBM153383
Wt: 302.3
BDBM153381
Wt: 256.2
BDBM106787
Wt: 256.2
BDBM106788
Wt: 258.2
BDBM50139862
Wt: 256.2
BDBM50222285
Wt: 302.3
BDBM50222304
Wt: 272.2
BDBM50222276
Wt: 272.2
BDBM50222301
Wt: 242.2
BDBM50410528
Purchase
Wt: 226.2
BDBM50419934
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 153379,153380,153383,153381,106787,106788,50139862,50222285,50222304,50222276,50222301,50410528,50419934   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
12-Lipoxygenase (12-LOX)


(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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Article
PubMed
n/an/a 7.70E+3n/an/an/an/a8.023



Universidad de Santiago de Chile



Assay Description
All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...


Chem Biol Drug Des 82: 317-25 (2013)


Article DOI: 10.1111/cbdd.12157
BindingDB Entry DOI: 10.7270/Q2PZ57F3
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50410528
PNG
(CHEMBL198877)
Show SMILES Oc1ccc(cc1)[C@H]1COc2cc(O)ccc2C1
Show InChI InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1
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PubMed
n/an/a 7.41E+4n/an/an/an/an/an/a



University of Basel

Curated by ChEMBL


Assay Description
Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)


J Med Chem 48: 5666-74 (2005)


Article DOI: 10.1021/jm050403f
BindingDB Entry DOI: 10.7270/Q2TM7CBZ
More data for this
Ligand-Target Pair
Arachidonate 15-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 4.40E+3n/an/an/an/a7.523



Universidad de Santiago de Chile



Assay Description
All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...


Chem Biol Drug Des 82: 317-25 (2013)


Article DOI: 10.1111/cbdd.12157
BindingDB Entry DOI: 10.7270/Q2PZ57F3
More data for this
Ligand-Target Pair
Arachidonate 15-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 5.80E+3n/an/an/an/a7.523



Universidad de Santiago de Chile



Assay Description
All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...


Chem Biol Drug Des 82: 317-25 (2013)


Article DOI: 10.1111/cbdd.12157
BindingDB Entry DOI: 10.7270/Q2PZ57F3
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(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 3.40E+4n/an/an/an/a7.523



Universidad de Santiago de Chile



Assay Description
All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...


Chem Biol Drug Des 82: 317-25 (2013)


Article DOI: 10.1111/cbdd.12157
BindingDB Entry DOI: 10.7270/Q2PZ57F3
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(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 3.30E+4n/an/an/an/a7.523



Universidad de Santiago de Chile



Assay Description
All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...


Chem Biol Drug Des 82: 317-25 (2013)


Article DOI: 10.1111/cbdd.12157
BindingDB Entry DOI: 10.7270/Q2PZ57F3
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(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 7.10E+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
15-Lipoxygenase-2 (15-LOX-2)


(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 8.30E+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
15-Lipoxygenase-2 (15-LOX-2)


(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 3.40E+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
15-Lipoxygenase-2 (15-LOX-2)


(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 3.30E+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))
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))
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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
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>1.50E+5n/an/an/an/a8.0n/a



Universidad de Santiago



Assay Description
Approximately 2 g of either COX-1 or COX-2 was added to buffer containing 100 M AA, 0.1 M Tris-HCl buffer (pH 8.0), 5 mM EDTA, 2 mM phenol, and 1 ...


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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
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>1.50E+5n/an/an/an/a8.0n/a



Universidad de Santiago



Assay Description
Approximately 2 g of either COX-1 or COX-2 was added to buffer containing 100 M AA, 0.1 M Tris-HCl buffer (pH 8.0), 5 mM EDTA, 2 mM phenol, and 1 ...


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
Cyclooxygenase


(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>1.50E+5n/an/an/an/a8.0n/a



Universidad de Santiago



Assay Description
Approximately 2 g of either COX-1 or COX-2 was added to buffer containing 100 M AA, 0.1 M Tris-HCl buffer (pH 8.0), 5 mM EDTA, 2 mM phenol, and 1 ...


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
Cyclooxygenase


(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>1.50E+5n/an/an/an/a8.0n/a



Universidad de Santiago



Assay Description
Approximately 2 g of either COX-1 or COX-2 was added to buffer containing 100 M AA, 0.1 M Tris-HCl buffer (pH 8.0), 5 mM EDTA, 2 mM phenol, and 1 ...


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
15-Lipoxygenase-2 (15-LOX-2)


(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 7.10E+4n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222276
PNG
(6,7-dihydroxy-4'-methoxyisoflavan | CHEMBL239247)
Show SMILES COc1ccc(cc1)C1COc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C16H16O4/c1-19-13-4-2-10(3-5-13)12-6-11-7-14(17)15(18)8-16(11)20-9-12/h2-5,7-8,12,17-18H,6,9H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222301
PNG
(7,8-dihydroxy-4'-methylisoflavan | CHEMBL391341)
Show SMILES COc1ccc(cc1)C1COc2c(C1)ccc(O)c2O
Show InChI InChI=1S/C16H16O4/c1-19-13-5-2-10(3-6-13)12-8-11-4-7-14(17)15(18)16(11)20-9-12/h2-7,12,17-18H,8-9H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222304
PNG
(7,8-dihydroxy-3',4'-dimethoxyisoflavan | CHEMBL239...)
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>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50222285
PNG
(7,8-dihydroxy-4'-methoxyisoflavan | CHEMBL391342)
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>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO2


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222285
PNG
(7,8-dihydroxy-4'-methoxyisoflavan | CHEMBL391342)
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 3.70E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222301
PNG
(7,8-dihydroxy-4'-methylisoflavan | CHEMBL391341)
Show SMILES COc1ccc(cc1)C1COc2c(C1)ccc(O)c2O
Show InChI InChI=1S/C16H16O4/c1-19-13-5-2-10(3-6-13)12-8-11-4-7-14(17)15(18)16(11)20-9-12/h2-7,12,17-18H,8-9H2,1H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222276
PNG
(6,7-dihydroxy-4'-methoxyisoflavan | CHEMBL239247)
Show SMILES COc1ccc(cc1)C1COc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C16H16O4/c1-19-13-4-2-10(3-5-13)12-6-11-7-14(17)15(18)8-16(11)20-9-12/h2-5,7-8,12,17-18H,6,9H2,1H3
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n/an/a 150n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222301
PNG
(7,8-dihydroxy-4'-methylisoflavan | CHEMBL391341)
Show SMILES COc1ccc(cc1)C1COc2c(C1)ccc(O)c2O
Show InChI InChI=1S/C16H16O4/c1-19-13-5-2-10(3-6-13)12-8-11-4-7-14(17)15(18)16(11)20-9-12/h2-7,12,17-18H,8-9H2,1H3
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n/an/a 7.00E+4n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50222304
PNG
(7,8-dihydroxy-3',4'-dimethoxyisoflavan | CHEMBL239...)
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>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222276
PNG
(6,7-dihydroxy-4'-methoxyisoflavan | CHEMBL239247)
Show SMILES COc1ccc(cc1)C1COc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C16H16O4/c1-19-13-4-2-10(3-5-13)12-6-11-7-14(17)15(18)8-16(11)20-9-12/h2-5,7-8,12,17-18H,6,9H2,1H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(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 1.70E+4n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222304
PNG
(7,8-dihydroxy-3',4'-dimethoxyisoflavan | CHEMBL239...)
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>1.00E+5n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Arachidonate 15-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 510n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 15-hLO1


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50222285
PNG
(7,8-dihydroxy-4'-methoxyisoflavan | CHEMBL391342)
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 2.60E+4n/an/an/an/an/an/a



Universidad de Santiago de Chile

Curated by ChEMBL


Assay Description
Inhibition of 12-hLO


Bioorg Med Chem 15: 7408-25 (2007)


Article DOI: 10.1016/j.bmc.2007.07.036
BindingDB Entry DOI: 10.7270/Q2RN37KN
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50419934
PNG
(CHEMBL1957041)
Show SMILES Oc1ccc2CC(COc2c1)c1ccccc1
Show InChI InChI=1S/C15H14O2/c16-14-7-6-12-8-13(10-17-15(12)9-14)11-4-2-1-3-5-11/h1-7,9,13,16H,8,10H2
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n/an/a 3.63E+3n/an/an/an/an/an/a



University of Melbourne

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from rat uterine cytosolic estrogen receptor


Bioorg Med Chem 20: 2353-61 (2012)


Article DOI: 10.1016/j.bmc.2012.02.008
BindingDB Entry DOI: 10.7270/Q2F76DT2
More data for this
Ligand-Target Pair
Estrogen receptor


(RAT)
BDBM50410528
PNG
(CHEMBL198877)
Show SMILES Oc1ccc(cc1)[C@H]1COc2cc(O)ccc2C1
Show InChI InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1
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n/an/a 1.66E+3n/an/an/an/an/an/a



University of Melbourne

Curated by ChEMBL


Assay Description
Displacement of [3H]estradiol from rat uterine cytosolic estrogen receptor


Bioorg Med Chem 20: 2353-61 (2012)


Article DOI: 10.1016/j.bmc.2012.02.008
BindingDB Entry DOI: 10.7270/Q2F76DT2
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(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 6.40E+3n/an/an/an/a8.023



Universidad de Santiago de Chile



Assay Description
All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...


Chem Biol Drug Des 82: 317-25 (2013)


Article DOI: 10.1111/cbdd.12157
BindingDB Entry DOI: 10.7270/Q2PZ57F3
More data for this
Ligand-Target Pair