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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50135851   
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 lipoxygenase ALOX12


(Homo sapiens (Human))
BDBM50135851
PNG
(2,3,4,5-tetrabromo-6-(3,5-dibromo-2-hydroxy-phenox...)
Show SMILES Oc1c(Br)cc(Br)cc1Oc1c(O)c(Br)c(Br)c(Br)c1Br
Show InChI InChI=1S/C12H4Br6O3/c13-3-1-4(14)10(19)5(2-3)21-12-9(18)7(16)6(15)8(17)11(12)20/h1-2,19-20H
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MMDB

KEGG

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Article
PubMed
n/an/a 410n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory effect on human platelet 12-lipoxygenase


J Med Chem 47: 4060-5 (2004)


Article DOI: 10.1021/jm049872s
BindingDB Entry DOI: 10.7270/Q2SX6CPV
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50135851
PNG
(2,3,4,5-tetrabromo-6-(3,5-dibromo-2-hydroxy-phenox...)
Show SMILES Oc1c(Br)cc(Br)cc1Oc1c(O)c(Br)c(Br)c(Br)c1Br
Show InChI InChI=1S/C12H4Br6O3/c13-3-1-4(14)10(19)5(2-3)21-12-9(18)7(16)6(15)8(17)11(12)20/h1-2,19-20H
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Article
PubMed
n/an/a 790n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory effect on human reticulocyte 15-lipoxygenase


J Med Chem 47: 4060-5 (2004)


Article DOI: 10.1021/jm049872s
BindingDB Entry DOI: 10.7270/Q2SX6CPV
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50135851
PNG
(2,3,4,5-tetrabromo-6-(3,5-dibromo-2-hydroxy-phenox...)
Show SMILES Oc1c(Br)cc(Br)cc1Oc1c(O)c(Br)c(Br)c(Br)c1Br
Show InChI InChI=1S/C12H4Br6O3/c13-3-1-4(14)10(19)5(2-3)21-12-9(18)7(16)6(15)8(17)11(12)20/h1-2,19-20H
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Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 15-lipoxygenase


J Nat Prod 58: 1384-1391 (1995)


Article DOI: 10.1021/np50123a008
BindingDB Entry DOI: 10.7270/Q22B8Z26
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))
BDBM50135851
PNG
(2,3,4,5-tetrabromo-6-(3,5-dibromo-2-hydroxy-phenox...)
Show SMILES Oc1c(Br)cc(Br)cc1Oc1c(O)c(Br)c(Br)c(Br)c1Br
Show InChI InChI=1S/C12H4Br6O3/c13-3-1-4(14)10(19)5(2-3)21-12-9(18)7(16)6(15)8(17)11(12)20/h1-2,19-20H
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Article
PubMed
n/an/a 6.40E+3n/an/an/an/an/an/a



Instituto Biomar, S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human aldose reductase (ALR2) was determined


J Med Chem 46: 5208-21 (2003)


Article DOI: 10.1021/jm030957n
BindingDB Entry DOI: 10.7270/Q20Z72PQ
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50135851
PNG
(2,3,4,5-tetrabromo-6-(3,5-dibromo-2-hydroxy-phenox...)
Show SMILES Oc1c(Br)cc(Br)cc1Oc1c(O)c(Br)c(Br)c(Br)c1Br
Show InChI InChI=1S/C12H4Br6O3/c13-3-1-4(14)10(19)5(2-3)21-12-9(18)7(16)6(15)8(17)11(12)20/h1-2,19-20H
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a>1.48E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Bak binding to Mcl-1 by FRET assay


J Nat Prod 72: 443-9 (2009)


Article DOI: 10.1021/np800737z
BindingDB Entry DOI: 10.7270/Q2XW4NMD
More data for this
Ligand-Target Pair