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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50222284   
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
Polyunsaturated fatty acid 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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Article
PubMed
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
Polyunsaturated fatty acid lipoxygenase ALOX12


(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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Article
PubMed
n/an/a 3.60E+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
Polyunsaturated fatty acid lipoxygenase ALOX15


(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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Article
PubMed
n/an/a 1.10E+4n/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
Polyunsaturated fatty acid lipoxygenase ALOX15B


(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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Article
PubMed
n/an/a>1.00E+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
Polyunsaturated fatty acid lipoxygenase ALOX15B


(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
PDB

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Article
PubMed
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