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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'fico' and Initial = 'g'   
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))
BDBM50384998
PNG
(CVD-0019905 | XANTHOHUMOL)
Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c1-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])cc1
Show InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli MV1190 cells preincubated for 10 mins followed by addition of arachidonic acid as ...


J Nat Prod 79: 590-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01052
BindingDB Entry DOI: 10.7270/Q2639RNJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50384998
PNG
(CVD-0019905 | XANTHOHUMOL)
Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c1-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])cc1
Show InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human polymorphonuclear leukocytes preincubated for 10 mins followed by addition of arachidonic acid as substrate measured afte...


J Nat Prod 79: 590-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01052
BindingDB Entry DOI: 10.7270/Q2639RNJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50177002
PNG
(CHEMBL3814590)
Show SMILES [#6]-[#6](-[#6])-[#6](=O)-[#6]-1=[#6](-[#8])C([#8])([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)C([#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](/[#6])-[#6])[#6]-1=O |c:5|
Show InChI InChI=1S/C25H36O5/c1-15(2)9-12-24(13-10-16(3)4)21(27)19(20(26)18(7)8)22(28)25(30,23(24)29)14-11-17(5)6/h9-11,18,28,30H,12-14H2,1-8H3
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli MV1190 cells preincubated for 10 mins followed by addition of arachidonic acid as ...


J Nat Prod 79: 590-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01052
BindingDB Entry DOI: 10.7270/Q2639RNJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50177000
PNG
(CHEMBL3814665)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#6]-1=[#6](-[#8])-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])=[#6](-[#8])[C@]([#8])([#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O |r,c:6,t:14|
Show InChI InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3/t21-/m1/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli MV1190 cells preincubated for 10 mins followed by addition of arachidonic acid as ...


J Nat Prod 79: 590-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01052
BindingDB Entry DOI: 10.7270/Q2639RNJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50177001
PNG
(Xanthohumol C)
Show SMILES COc1cc2OC(C)(C)C=Cc2c(O)c1C(=O)\C=C\c1ccc(O)cc1 |c:9|
Show InChI InChI=1S/C21H20O5/c1-21(2)11-10-15-17(26-21)12-18(25-3)19(20(15)24)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24H,1-3H3/b9-6+
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human polymorphonuclear leukocytes preincubated for 10 mins followed by addition of arachidonic acid as substrate measured afte...


J Nat Prod 79: 590-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01052
BindingDB Entry DOI: 10.7270/Q2639RNJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50177002
PNG
(CHEMBL3814590)
Show SMILES [#6]-[#6](-[#6])-[#6](=O)-[#6]-1=[#6](-[#8])C([#8])([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)C([#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](/[#6])-[#6])[#6]-1=O |c:5|
Show InChI InChI=1S/C25H36O5/c1-15(2)9-12-24(13-10-16(3)4)21(27)19(20(26)18(7)8)22(28)25(30,23(24)29)14-11-17(5)6/h9-11,18,28,30H,12-14H2,1-8H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human polymorphonuclear leukocytes preincubated for 10 mins followed by addition of arachidonic acid as substrate measured afte...


J Nat Prod 79: 590-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01052
BindingDB Entry DOI: 10.7270/Q2639RNJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM19460
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1 |r|
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli MV1190 cells preincubated for 10 mins followed by addition of arachidonic acid as ...


J Nat Prod 79: 590-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01052
BindingDB Entry DOI: 10.7270/Q2639RNJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50177000
PNG
(CHEMBL3814665)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#6]-1=[#6](-[#8])-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])=[#6](-[#8])[C@]([#8])([#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O |r,c:6,t:14|
Show InChI InChI=1S/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3/t21-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human polymorphonuclear leukocytes preincubated for 10 mins followed by addition of arachidonic acid as substrate measured afte...


J Nat Prod 79: 590-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01052
BindingDB Entry DOI: 10.7270/Q2639RNJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50177003
PNG
(CHEMBL3813911)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](=O)-[#6]-1=[#6](-[#8])-[#6](-[#6]\[#6]=[#6](\[#6])-[#6])=[#6]2-[#8]-[#6@H](-[#6][C@@]2([#8])[#6]-1=O)C([#6])([#6])[#8] |r,c:6,t:14|
Show InChI InChI=1S/C21H30O6/c1-11(2)7-8-13-17(23)16(14(22)9-12(3)4)18(24)21(26)10-15(20(5,6)25)27-19(13)21/h7,12,15,23,25-26H,8-10H2,1-6H3/t15-,21-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli MV1190 cells preincubated for 10 mins followed by addition of arachidonic acid as ...


J Nat Prod 79: 590-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01052
BindingDB Entry DOI: 10.7270/Q2639RNJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50177001
PNG
(Xanthohumol C)
Show SMILES COc1cc2OC(C)(C)C=Cc2c(O)c1C(=O)\C=C\c1ccc(O)cc1 |c:9|
Show InChI InChI=1S/C21H20O5/c1-21(2)11-10-15-17(26-21)12-18(25-3)19(20(15)24)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24H,1-3H3/b9-6+
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-LO expressed in Escherichia coli MV1190 cells preincubated for 10 mins followed by addition of arachidonic acid as ...


J Nat Prod 79: 590-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01052
BindingDB Entry DOI: 10.7270/Q2639RNJ
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM19460
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(-[#8])c2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1 |r|
Show InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of 5-LO in human polymorphonuclear leukocytes preincubated for 10 mins followed by addition of arachidonic acid as substrate measured afte...


J Nat Prod 79: 590-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01052
BindingDB Entry DOI: 10.7270/Q2639RNJ
More data for this
Ligand-Target Pair