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Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'silva' and Initial = 'am'   
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
Lipoxygenase-1


(Glycine max (soybean))
BDBM50445691
PNG
(CHEMBL243677)
Show SMILES Oc1ccc(cc1O)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C15H10O5/c16-9-5-4-8(6-11(9)18)14-7-12(19)15-10(17)2-1-3-13(15)20-14/h1-7,16,18-19H
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1.80E+4n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk ...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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PubMed
1.94E+4n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Mixed noncompetitive type inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Line...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50157555
PNG
(2-(3,4-dihydroxyphenyl)-4H-chromen-4-one | 3',4'-d...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H
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8.45E+4n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Mixed noncompetitive type inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Line...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50445690
PNG
(CHEMBL457821)
Show SMILES Oc1cccc(c1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-2-8(4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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9.54E+4n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk ...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50312650
PNG
(5,4'-dihydroxyflavone | 5-hydroxy-2-(4-hydroxyphen...)
Show SMILES Oc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C15H10O4/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,16,18H
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1.03E+5n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Mixed noncompetitive type inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Line...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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1.07E+5n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk ...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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PubMed
1.22E+5n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk ...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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1.78E+5n/an/an/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Mixed noncompetitive type inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Line...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM85585
PNG
(2-Styrylchromone derivate, 3c)
Show SMILES Oc1cc2oc(C=Cc3ccc(O)c(O)c3)cc(O)c2c(=O)c1
Show InChI InChI=1S/C17H12O6/c18-10-6-14(21)17-15(22)8-11(23-16(17)7-10)3-1-9-2-4-12(19)13(20)5-9/h1-8,18-20,22H/b3-1+
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n/an/a 550n/an/an/an/a7.825



University of Porto-Rua Anibal Cunha



Assay Description
The effect of 2-styrylchromone 1-3 on xanthine oxidase activity was evaluated by measuring the formation of uric acid from xanthine in a double beam ...


J Enzyme Inhib Med Chem 17: 45-8 (2002)


Article DOI: 10.1080/14756360290019944
BindingDB Entry DOI: 10.7270/Q29S1PKM
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX-mediated LTB4 production in human neutrophils using arachidonic acid as substrate preincubated for 10 mins followed by substrate ...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50157555
PNG
(2-(3,4-dihydroxyphenyl)-4H-chromen-4-one | 3',4'-d...)
Show SMILES Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H10O4/c16-11-6-5-9(7-13(11)18)15-8-12(17)10-3-1-2-4-14(10)19-15/h1-8,16,18H
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX-mediated LTB4 production in human neutrophils using arachidonic acid as substrate preincubated for 10 mins followed by substrate ...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50077325
PNG
(2-(3,4-Dihydroxy-phenyl)-7-hydroxy-chromen-4-one |...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-7,16-17,19H
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX-mediated LTB4 production in human neutrophils using arachidonic acid as substrate preincubated for 10 mins followed by substrate ...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM85584
PNG
(2-Styrylchromone derivate, 3b)
Show SMILES Oc1ccc2c(c1)oc(\C=C\c1ccc(O)c(O)c1)cc2=O
Show InChI InChI=1S/C17H12O5/c18-11-3-5-13-15(20)9-12(22-17(13)8-11)4-1-10-2-6-14(19)16(21)7-10/h1-9,18-19,21H/b4-1+
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n/an/a 2.03E+3n/an/an/an/a7.825



University of Porto-Rua Anibal Cunha



Assay Description
The effect of 2-styrylchromone 1-3 on xanthine oxidase activity was evaluated by measuring the formation of uric acid from xanthine in a double beam ...


J Enzyme Inhib Med Chem 17: 45-8 (2002)


Article DOI: 10.1080/14756360290019944
BindingDB Entry DOI: 10.7270/Q29S1PKM
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM85579
PNG
(2-Styrylchromone derivate, 1d)
Show SMILES Oc1cc(O)c2c(c1)oc(C=Cc1ccccc1)cc2=O
Show InChI InChI=1S/C17H12O4/c18-12-8-14(19)17-15(20)10-13(21-16(17)9-12)7-6-11-4-2-1-3-5-11/h1-10,18-19H/b7-6+
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n/an/a 2.52E+3n/an/an/an/a7.825



University of Porto-Rua Anibal Cunha



Assay Description
The effect of 2-styrylchromone 1-3 on xanthine oxidase activity was evaluated by measuring the formation of uric acid from xanthine in a double beam ...


J Enzyme Inhib Med Chem 17: 45-8 (2002)


Article DOI: 10.1080/14756360290019944
BindingDB Entry DOI: 10.7270/Q29S1PKM
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50445691
PNG
(CHEMBL243677)
Show SMILES Oc1ccc(cc1O)-c1cc(O)c2c(cccc2=O)o1
Show InChI InChI=1S/C15H10O5/c16-9-5-4-8(6-11(9)18)14-7-12(19)15-10(17)2-1-3-13(15)20-14/h1-7,16,18-19H
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n/an/a 2.90E+3n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX-mediated LTB4 production in human neutrophils using arachidonic acid as substrate preincubated for 10 mins followed by substrate ...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universidade do Porto

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX-mediated LTB4 production in human neutrophils using arachidonic acid as substrate preincubated for 10 mins followed by substrate ...


Eur J Med Chem 72: 137-45 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.030
BindingDB Entry DOI: 10.7270/Q27H1M2P
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM85583
PNG
(2-Styrylchromone derivate, 3a)
Show SMILES Oc1ccc(C=Cc2cc(O)c3c(cccc3=O)o2)cc1O
Show InChI InChI=1S/C17H12O5/c18-12-7-5-10(8-14(12)20)4-6-11-9-15(21)17-13(19)2-1-3-16(17)22-11/h1-9,18,20-21H/b6-4+
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n/an/a 4.36E+3n/an/an/an/a7.825



University of Porto-Rua Anibal Cunha



Assay Description
The effect of 2-styrylchromone 1-3 on xanthine oxidase activity was evaluated by measuring the formation of uric acid from xanthine in a double beam ...


J Enzyme Inhib Med Chem 17: 45-8 (2002)


Article DOI: 10.1080/14756360290019944
BindingDB Entry DOI: 10.7270/Q29S1PKM
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM35440
PNG
(ALLOPURINOL | MLS000069453 | SMR000059083 | cid_20...)
Show SMILES O=c1[nH]cnc2n[nH]cc12
Show InChI InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
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n/an/a 5.43E+3n/an/an/an/a7.825



University of Porto-Rua Anibal Cunha



Assay Description
The effect of 2-styrylchromone 1-3 on xanthine oxidase activity was evaluated by measuring the formation of uric acid from xanthine in a double beam ...


J Enzyme Inhib Med Chem 17: 45-8 (2002)


Article DOI: 10.1080/14756360290019944
BindingDB Entry DOI: 10.7270/Q29S1PKM
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM85582
PNG
(2-Styrylchromone derivate, 2c)
Show SMILES Oc1ccc(C=Cc2cc(=O)c3c(O)cc(O)cc3o2)cc1
Show InChI InChI=1S/C17H12O5/c18-11-4-1-10(2-5-11)3-6-13-9-15(21)17-14(20)7-12(19)8-16(17)22-13/h1-9,18-20H/b6-3+
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n/an/a 9.46E+3n/an/an/an/a7.825



University of Porto-Rua Anibal Cunha



Assay Description
The effect of 2-styrylchromone 1-3 on xanthine oxidase activity was evaluated by measuring the formation of uric acid from xanthine in a double beam ...


J Enzyme Inhib Med Chem 17: 45-8 (2002)


Article DOI: 10.1080/14756360290019944
BindingDB Entry DOI: 10.7270/Q29S1PKM
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM85578
PNG
(2-Styrylchromone derivate, 1c)
Show SMILES Oc1ccc2c(c1)oc(\C=C\c1ccccc1)cc2=O
Show InChI InChI=1S/C17H12O3/c18-13-7-9-15-16(19)11-14(20-17(15)10-13)8-6-12-4-2-1-3-5-12/h1-11,18H/b8-6+
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n/an/a 1.70E+4n/an/an/an/a7.825



University of Porto-Rua Anibal Cunha



Assay Description
The effect of 2-styrylchromone 1-3 on xanthine oxidase activity was evaluated by measuring the formation of uric acid from xanthine in a double beam ...


J Enzyme Inhib Med Chem 17: 45-8 (2002)


Article DOI: 10.1080/14756360290019944
BindingDB Entry DOI: 10.7270/Q29S1PKM
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM85581
PNG
(2-Styrylchromone derivate, 2b)
Show SMILES Oc1ccc(\C=C\c2cc(=O)c3ccc(O)cc3o2)cc1
Show InChI InChI=1S/C17H12O4/c18-12-4-1-11(2-5-12)3-7-14-10-16(20)15-8-6-13(19)9-17(15)21-14/h1-10,18-19H/b7-3+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.96E+4n/an/an/an/a7.825



University of Porto-Rua Anibal Cunha



Assay Description
The effect of 2-styrylchromone 1-3 on xanthine oxidase activity was evaluated by measuring the formation of uric acid from xanthine in a double beam ...


J Enzyme Inhib Med Chem 17: 45-8 (2002)


Article DOI: 10.1080/14756360290019944
BindingDB Entry DOI: 10.7270/Q29S1PKM
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM85577
PNG
(2-Styrylchromone derivate, 1b)
Show SMILES Oc1cc(C=Cc2ccccc2)oc2cccc(=O)c12
Show InChI InChI=1S/C17H12O3/c18-14-7-4-8-16-17(14)15(19)11-13(20-16)10-9-12-5-2-1-3-6-12/h1-11,19H/b10-9+
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UniChem

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Article
PubMed
n/an/a 5.21E+4n/an/an/an/a7.825



University of Porto-Rua Anibal Cunha



Assay Description
The effect of 2-styrylchromone 1-3 on xanthine oxidase activity was evaluated by measuring the formation of uric acid from xanthine in a double beam ...


J Enzyme Inhib Med Chem 17: 45-8 (2002)


Article DOI: 10.1080/14756360290019944
BindingDB Entry DOI: 10.7270/Q29S1PKM
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM85580
PNG
(2-Styrylchromone derivate, 2a)
Show SMILES Oc1ccc(C=Cc2cc(O)c3c(cccc3=O)o2)cc1
Show InChI InChI=1S/C17H12O4/c18-12-7-4-11(5-8-12)6-9-13-10-15(20)17-14(19)2-1-3-16(17)21-13/h1-10,18,20H/b9-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 7.74E+4n/an/an/an/a7.825



University of Porto-Rua Anibal Cunha



Assay Description
The effect of 2-styrylchromone 1-3 on xanthine oxidase activity was evaluated by measuring the formation of uric acid from xanthine in a double beam ...


J Enzyme Inhib Med Chem 17: 45-8 (2002)


Article DOI: 10.1080/14756360290019944
BindingDB Entry DOI: 10.7270/Q29S1PKM
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM85576
PNG
(2-Styrylchromone derivate, 1a | cid_754332)
Show SMILES O=c1cc(\C=C\c2ccccc2)oc2ccccc12
Show InChI InChI=1S/C17H12O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-12H/b11-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/a7.825



University of Porto-Rua Anibal Cunha



Assay Description
The effect of 2-styrylchromone 1-3 on xanthine oxidase activity was evaluated by measuring the formation of uric acid from xanthine in a double beam ...


J Enzyme Inhib Med Chem 17: 45-8 (2002)


Article DOI: 10.1080/14756360290019944
BindingDB Entry DOI: 10.7270/Q29S1PKM
More data for this
Ligand-Target Pair