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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50030208   
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 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
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50150788
PNG
(2,3,5-tribromo-6-(3,5-dibromo-2-hydroxy-phenoxy)-p...)
Show SMILES Oc1c(Br)cc(Br)cc1Oc1c(O)c(Br)c(Br)cc1Br
Show InChI InChI=1S/C12H5Br5O3/c13-4-1-6(15)10(18)8(2-4)20-12-7(16)3-5(14)9(17)11(12)19/h1-3,18-19H
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Article
PubMed
n/an/a 2.50E+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
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50292444
PNG
(2,3,4-tribromo-6-(2,4-dibromophenoxy)phenol | CHEM...)
Show SMILES Oc1c(Oc2ccc(Br)cc2Br)cc(Br)c(Br)c1Br
Show InChI InChI=1S/C12H5Br5O2/c13-5-1-2-8(6(14)3-5)19-9-4-7(15)10(16)11(17)12(9)18/h1-4,18H
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Article
PubMed
n/an/a 7.40E+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
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50292443
PNG
(3,4,5-tribromo-2-(2', 4'-dibromo-phenoxy)phenol | ...)
Show SMILES Oc1cc(Br)c(Br)c(Br)c1Oc1ccc(Br)cc1Br
Show InChI InChI=1S/C12H5Br5O2/c13-5-1-2-9(6(14)3-5)19-12-8(18)4-7(15)10(16)11(12)17/h1-4,18H
PDB

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Article
PubMed
n/an/a 7.40E+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
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50232491
PNG
(3,5-dibromo-2-(2',4'-dibromophenoxy)phenol | 3,5-d...)
Show SMILES Oc1cc(Br)cc(Br)c1Oc1ccc(Br)cc1Br
Show InChI InChI=1S/C12H6Br4O2/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5,17H
PDB

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Article
PubMed
n/an/a 1.50E+4n/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