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2 similar compounds to monomer 50045523

Compile data set for download or QSAR
Wt: 318.4
BDBM85703
Wt: 318.4
BDBM50025735

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 85703,50025735   
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))
BDBM50025735
PNG
((5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic a...)
Show SMILES CCCCCC(=O)C=CC=CC\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9?,17-14?
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87n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Mixed type inhibition of human platelet 12-lipoxygenase assessed as equilibrium inhibitor constant of dissociation from enzyme by measuring 12-HpETE ...


Bioorg Med Chem 22: 4293-7 (2014)


Article DOI: 10.1016/j.bmc.2014.05.025
BindingDB Entry DOI: 10.7270/Q2NP2613
More data for this
Ligand-Target Pair
Leukotriene 2


(Homo sapiens (Human))
BDBM85703
PNG
(CAS_5283162 | ETE-12-Oxo | NSC_5283162)
Show SMILES CCCCCCC=CC(=O)C=CC=CCC=CCCCC(O)=O
Show InChI InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-9,11,13-14,16-17H,2-6,10,12,15,18H2,1H3,(H,22,23)
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Article
PubMed
155n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)


Article DOI: 10.1074/jbc.M004512200
BindingDB Entry DOI: 10.7270/Q2XD1066
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM85703
PNG
(CAS_5283162 | ETE-12-Oxo | NSC_5283162)
Show SMILES CCCCCCC=CC(=O)C=CC=CCC=CCCCC(O)=O
Show InChI InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-9,11,13-14,16-17H,2-6,10,12,15,18H2,1H3,(H,22,23)
UniProtKB/SwissProt

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Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by PDSP Ki Database




J Biol Chem 275: 40686-94 (2000)


Article DOI: 10.1074/jbc.M004512200
BindingDB Entry DOI: 10.7270/Q2XD1066
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50025735
PNG
((5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic a...)
Show SMILES CCCCCC(=O)C=CC=CC\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9?,17-14?
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human platelet 12-lipoxygenase by UV-visible spectrophotometry


Bioorg Med Chem 22: 4293-7 (2014)


Article DOI: 10.1016/j.bmc.2014.05.025
BindingDB Entry DOI: 10.7270/Q2NP2613
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50025735
PNG
((5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic a...)
Show SMILES CCCCCC(=O)C=CC=CC\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9?,17-14?
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte 5-lipoxygenase by UV-visible spectrophotometry


Bioorg Med Chem 22: 4293-7 (2014)


Article DOI: 10.1016/j.bmc.2014.05.025
BindingDB Entry DOI: 10.7270/Q2NP2613
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50025735
PNG
((5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic a...)
Show SMILES CCCCCC(=O)C=CC=CC\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9?,17-14?
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n/an/a 2.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat basophilic leukemia-1 (RBL-1) 5-lipoxygenase


J Med Chem 30: 254-63 (1987)


Article DOI: 10.1021/jm00385a005
BindingDB Entry DOI: 10.7270/Q2028S4N
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50025735
PNG
((5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic a...)
Show SMILES CCCCCC(=O)C=CC=CC\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9?,17-14?
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human reticulocyte 15-lipoxygenase-2 by UV-visible spectrophotometry


Bioorg Med Chem 22: 4293-7 (2014)


Article DOI: 10.1016/j.bmc.2014.05.025
BindingDB Entry DOI: 10.7270/Q2NP2613
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Oryctolagus cuniculus (rabbit))
BDBM50025735
PNG
((5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic a...)
Show SMILES CCCCCC(=O)C=CC=CC\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9?,17-14?
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of rabbit reticulocyte 15-LOX by UV-visible spectrophotometry


Bioorg Med Chem 22: 4293-7 (2014)


Article DOI: 10.1016/j.bmc.2014.05.025
BindingDB Entry DOI: 10.7270/Q2NP2613
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50025735
PNG
((5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic a...)
Show SMILES CCCCCC(=O)C=CC=CC\C=C/C\C=C/CCCC(O)=O
Show InChI InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9?,17-14?
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n/an/a>2.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human reticulocyte 15-lipoxygenase-1 by UV-visible spectrophotometry


Bioorg Med Chem 22: 4293-7 (2014)


Article DOI: 10.1016/j.bmc.2014.05.025
BindingDB Entry DOI: 10.7270/Q2NP2613
More data for this
Ligand-Target Pair