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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'smallwood' and Initial = 'jk'   
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))
BDBM50280050
PNG
(5-Methyl-2-[2-(10H-phenothiazin-2-yloxy)-ethyl]-2,...)
Show SMILES Cc1cc(=O)n(CCOc2ccc3Sc4ccccc4Nc3c2)[nH]1
Show InChI InChI=1S/C18H17N3O2S/c1-12-10-18(22)21(20-12)8-9-23-13-6-7-17-15(11-13)19-14-4-2-3-5-16(14)24-17/h2-7,10-11,19-20H,8-9H2,1H3
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Article
n/an/a 57n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-LO isolated from guinea pig PMN


Bioorg Med Chem Lett 2: 59-62 (1992)


Article DOI: 10.1016/S0960-894X(00)80655-1
BindingDB Entry DOI: 10.7270/Q2FB52TK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50280049
PNG
(5-Methyl-2-[2-(10H-phenothiazin-3-yloxy)-ethyl]-2,...)
Show SMILES Cc1cc(=O)n(CCOc2ccc3Nc4ccccc4Sc3c2)[nH]1
Show InChI InChI=1S/C18H17N3O2S/c1-12-10-18(22)21(20-12)8-9-23-13-6-7-15-17(11-13)24-16-5-3-2-4-14(16)19-15/h2-7,10-11,19-20H,8-9H2,1H3
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n/an/a 61n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-LO isolated from guinea pig PMN


Bioorg Med Chem Lett 2: 59-62 (1992)


Article DOI: 10.1016/S0960-894X(00)80655-1
BindingDB Entry DOI: 10.7270/Q2FB52TK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50280048
PNG
(5-Methyl-2-[2-(10H-phenoxazin-2-yloxy)-ethyl]-2,4-...)
Show SMILES Cc1cc(=O)n(CCOc2ccc3Oc4ccccc4Nc3c2)[nH]1
Show InChI InChI=1S/C18H17N3O3/c1-12-10-18(22)21(20-12)8-9-23-13-6-7-17-15(11-13)19-14-4-2-3-5-16(14)24-17/h2-7,10-11,19-20H,8-9H2,1H3
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-LO isolated from guinea pig PMN


Bioorg Med Chem Lett 2: 59-62 (1992)


Article DOI: 10.1016/S0960-894X(00)80655-1
BindingDB Entry DOI: 10.7270/Q2FB52TK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50280047
PNG
(2-[2-(Naphthalen-2-yloxy)-ethyl]-2,3a,4,5,6,7-hexa...)
Show SMILES O=c1c2CCCCc2[nH]n1CCOc1ccc2ccccc2c1
Show InChI InChI=1S/C19H20N2O2/c22-19-17-7-3-4-8-18(17)20-21(19)11-12-23-16-10-9-14-5-1-2-6-15(14)13-16/h1-2,5-6,9-10,13,20H,3-4,7-8,11-12H2
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n/an/a 310n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-LO isolated from guinea pig PMN


Bioorg Med Chem Lett 2: 59-62 (1992)


Article DOI: 10.1016/S0960-894X(00)80655-1
BindingDB Entry DOI: 10.7270/Q2FB52TK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50280046
PNG
(2-[2-(Naphthalen-2-yloxy)-ethyl]-3a,4,5,6-tetrahyd...)
Show SMILES O=c1c2CCCc2[nH]n1CCOc1ccc2ccccc2c1
Show InChI InChI=1S/C18H18N2O2/c21-18-16-6-3-7-17(16)19-20(18)10-11-22-15-9-8-13-4-1-2-5-14(13)12-15/h1-2,4-5,8-9,12,19H,3,6-7,10-11H2
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n/an/a 480n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-LO isolated from guinea pig PMN


Bioorg Med Chem Lett 2: 59-62 (1992)


Article DOI: 10.1016/S0960-894X(00)80655-1
BindingDB Entry DOI: 10.7270/Q2FB52TK
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50008999
PNG
(5-Methyl-2-[2-(naphthalen-2-yloxy)-ethyl]-2,4-dihy...)
Show SMILES Cc1cc(=O)n(CCOc2ccc3ccccc3c2)[nH]1
Show InChI InChI=1S/C16H16N2O2/c1-12-10-16(19)18(17-12)8-9-20-15-7-6-13-4-2-3-5-14(13)11-15/h2-7,10-11,17H,8-9H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [14C]-arachidonic acid conversion to 5-HETE by broken cell 5-LO isolated from guinea pig PMN


Bioorg Med Chem Lett 2: 59-62 (1992)


Article DOI: 10.1016/S0960-894X(00)80655-1
BindingDB Entry DOI: 10.7270/Q2FB52TK
More data for this
Ligand-Target Pair