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Compile Data Set for Download or QSAR

Found 62 hits with Last Name = 'fernandes' and Initial = 'e'   
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
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223987
PNG
(A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12
Show InChI InChI=1/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/s2
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0.400 -53.6n/an/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223987
PNG
(A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12
Show InChI InChI=1/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/s2
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0.5 -53.1n/an/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223986
PNG
((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2cccc(F)c12
Show InChI InChI=1/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/s2
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1 -51.4n/an/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223985
PNG
(rac-(3R,4S)-1-(2-fluoro-6-methylbenzyl)-N,N-dimeth...)
Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2ccccc12
Show InChI InChI=1/C23H28FN3/c1-16-8-7-10-21(24)18(16)13-27-14-20(23(15-27)25(2)3)19-12-26(4)22-11-6-5-9-17(19)22/h5-12,20,23H,13-15H2,1-4H3/t20-,23+/s2
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4 -47.9n/an/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223984
PNG
(rac-(3R,4S)-1-(2-methoxybenzyl)-N,N-dimethyl-4-(1-...)
Show SMILES COc1ccccc1CN1C[C@@H]([C@H](C1)c1cn(C)c2ccccc12)N(C)C
Show InChI InChI=1/C23H29N3O/c1-24(2)22-16-26(13-17-9-5-8-12-23(17)27-4)15-20(22)19-14-25(3)21-11-7-6-10-18(19)21/h5-12,14,20,22H,13,15-16H2,1-4H3/t20-,22+/s2
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1.20E+3 -33.8n/an/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223989
PNG
(A-395N (6))
Show SMILES CN(C)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1/C24H34N4O2S/c1-25(2)24-19-26(17-20-7-5-4-6-8-20)18-23(24)21-9-11-22(12-10-21)27-13-15-28(16-14-27)31(3,29)30/h4-12,23-24H,13-19H2,1-3H3/t23-,24+/s2
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1.83E+3 -32.7n/an/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
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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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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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
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223987
PNG
(A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12
Show InChI InChI=1/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/s2
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n/an/a 7.51n/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds or nonbiotinylated H3(23-34) peptide were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223987
PNG
(A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...)
Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12
Show InChI InChI=1/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/s2
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n/an/a 18n/an/an/an/an/a23



AbbVie Inc.



Assay Description
IC50 values were determined for compounds A-395 and A-395N at 75 nM of EZH2 trimeric complex (EZH2-EED-SUZ12), 3 μM of human nucleosome and 1 &#...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM70577
PNG
(H3 peptide)
Show SMILES CSCC[C@H](\N=C(/O)[C@H](C)\N=C(/O)[C@H](Cc1ccc(O)cc1)\N=C(/O)[C@H](Cc1ccccc1)\N=C(/O)C\N=C(/O)C\N=C(/O)[C@H](CCCNC(N)=N)\N=C(/O)[C@H](C)\N=C(/O)[C@@H](N)CS)C(\O)=N\[C@@H](CC(O)=O)C(\O)=N\[C@@H](Cc1ccc(O)cc1)C(\O)=N\[C@@H](Cc1c[nH]c2ccccc12)C(\O)=N\[C@@H](CCC(O)=N)C(\O)=N\C\C(O)=N\[C@@H](CCC(O)=N)C(\O)=N\CC(O)=O
Show InChI InChI=1S/C80H108N22O23S2/c1-41(92-70(116)50(81)40-126)68(114)96-52(14-9-28-86-80(84)85)71(117)89-36-63(107)88-37-64(108)95-56(30-43-10-5-4-6-11-43)76(122)99-57(31-44-15-19-47(103)20-16-44)75(121)93-42(2)69(115)97-55(27-29-127-3)74(120)102-60(34-66(110)111)79(125)100-58(32-45-17-21-48(104)22-18-45)77(123)101-59(33-46-35-87-51-13-8-7-12-49(46)51)78(124)98-54(24-26-62(83)106)73(119)90-38-65(109)94-53(23-25-61(82)105)72(118)91-39-67(112)113/h4-8,10-13,15-22,35,41-42,50,52-60,87,103-104,126H,9,14,23-34,36-40,81H2,1-3H3,(H2,82,105)(H2,83,106)(H,88,107)(H,89,117)(H,90,119)(H,91,118)(H,92,116)(H,93,121)(H,94,109)(H,95,108)(H,96,114)(H,97,115)(H,98,124)(H,99,122)(H,100,125)(H,101,123)(H,102,120)(H,110,111)(H,112,113)(H4,84,85,86)/t41-,42-,50-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1
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n/an/a 18.1n/an/an/an/a7.525



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Assay Description
For the assay, compounds or nonbiotinylated H3(23-34) peptide were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50242778
PNG
(CHEMBL459843 | [4'-(4''-Aminopyrazolo[3,4-d]pyrimi...)
Show SMILES COC(=O)CNC(=O)c1ccc(cc1)-n1ncc2c(N)ncnc12
Show InChI InChI=1S/C15H14N6O3/c1-24-12(22)7-17-15(23)9-2-4-10(5-3-9)21-14-11(6-20-21)13(16)18-8-19-14/h2-6,8H,7H2,1H3,(H,17,23)(H2,16,18,19)
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n/an/a 80n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 43: 771-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.002
BindingDB Entry DOI: 10.7270/Q2J102XV
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50242777
PNG
(1-(4'-Trifluoromethylphenyl)-1H-pyrazolo[3,4-d]pyr...)
Show SMILES Nc1ncnc2n(ncc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C12H8F3N5/c13-12(14,15)7-1-3-8(4-2-7)20-11-9(5-19-20)10(16)17-6-18-11/h1-6H,(H2,16,17,18)
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n/an/a 180n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 43: 771-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.002
BindingDB Entry DOI: 10.7270/Q2J102XV
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50242775
PNG
(4-(4'-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-benzonit...)
Show SMILES Nc1ncnc2n(ncc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C12H8N6/c13-5-8-1-3-9(4-2-8)18-12-10(6-17-18)11(14)15-7-16-12/h1-4,6-7H,(H2,14,15,16)
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n/an/a 400n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 43: 771-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.002
BindingDB Entry DOI: 10.7270/Q2J102XV
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
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223989
PNG
(A-395N (6))
Show SMILES CN(C)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1/C24H34N4O2S/c1-25(2)24-19-26(17-20-7-5-4-6-8-20)18-23(24)21-9-11-22(12-10-21)27-13-15-28(16-14-27)31(3,29)30/h4-12,23-24H,13-19H2,1-3H3/t23-,24+/s2
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n/an/a 1.32E+3n/an/an/an/a7.525



AbbVie Inc.



Assay Description
For the assay, compounds or nonbiotinylated H3(23-34) peptide were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
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))
BDBM50242776
PNG
(1-(4'-Nitrophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-y...)
Show SMILES Nc1ncnc2n(ncc12)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C11H8N6O2/c12-10-9-5-15-16(11(9)14-6-13-10)7-1-3-8(4-2-7)17(18)19/h1-6H,(H2,12,13,14)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 43: 771-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.002
BindingDB Entry DOI: 10.7270/Q2J102XV
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))
BDBM50242764
PNG
(1-p-Tolyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine | ...)
Show SMILES Cc1ccc(cc1)-n1ncc2c(N)ncnc12
Show InChI InChI=1S/C12H11N5/c1-8-2-4-9(5-3-8)17-12-10(6-16-17)11(13)14-7-15-12/h2-7H,1H3,(H2,13,14,15)
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n/an/a 1.74E+4n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 43: 771-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.002
BindingDB Entry DOI: 10.7270/Q2J102XV
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50242780
PNG
(CHEMBL508899 | N-(4''-Carboxyphenyl)-N-(2',3',4',6...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](Nc2ncnc3n(ncc23)-c2ccc(cc2)C(O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Show InChI InChI=1/C26H27N5O11/c1-12(32)38-10-19-20(39-13(2)33)21(40-14(3)34)22(41-15(4)35)25(42-19)30-23-18-9-29-31(24(18)28-11-27-23)17-7-5-16(6-8-17)26(36)37/h5-9,11,19-22,25H,10H2,1-4H3,(H,36,37)(H,27,28,30)/t19-,20-,21+,22-,25-/s2
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n/an/a 1.84E+4n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 43: 771-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.002
BindingDB Entry DOI: 10.7270/Q2J102XV
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50242765
PNG
((4'-Methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-y...)
Show SMILES COc1ccc(cc1)-n1ncc2c(N)ncnc12
Show InChI InChI=1S/C12H11N5O/c1-18-9-4-2-8(3-5-9)17-12-10(6-16-17)11(13)14-7-15-12/h2-7H,1H3,(H2,13,14,15)
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n/an/a 1.96E+4n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 43: 771-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.002
BindingDB Entry DOI: 10.7270/Q2J102XV
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+
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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))
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 2.44E+4n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 43: 771-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.002
BindingDB Entry DOI: 10.7270/Q2J102XV
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50242693
PNG
(5-Amino-1-(4'-carboxyphenyl)-1H-pyrazole-4-carboni...)
Show SMILES Nc1c(cnn1-c1ccc(cc1)C(O)=O)C#N
Show InChI InChI=1S/C11H8N4O2/c12-5-8-6-14-15(10(8)13)9-3-1-7(2-4-9)11(16)17/h1-4,6H,13H2,(H,16,17)
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n/an/a 3.61E+4n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 43: 771-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.002
BindingDB Entry DOI: 10.7270/Q2J102XV
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50242763
PNG
(CHEMBL513450 | [4'-(5-Amino-4-cyanopyrazol-1-yl)-b...)
Show SMILES COC(=O)CNC(=O)c1ccc(cc1)-n1ncc(C#N)c1N
Show InChI InChI=1S/C14H13N5O3/c1-22-12(20)8-17-14(21)9-2-4-11(5-3-9)19-13(16)10(6-15)7-18-19/h2-5,7H,8,16H2,1H3,(H,17,21)
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n/an/a 3.79E+4n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 43: 771-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.002
BindingDB Entry DOI: 10.7270/Q2J102XV
More data for this
Ligand-Target Pair
Polycomb protein EED (EED)


(Homo sapiens (Human))
BDBM223989
PNG
(A-395N (6))
Show SMILES CN(C)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1/C24H34N4O2S/c1-25(2)24-19-26(17-20-7-5-4-6-8-20)18-23(24)21-9-11-22(12-10-21)27-13-15-28(16-14-27)31(3,29)30/h4-12,23-24H,13-19H2,1-3H3/t23-,24+/s2
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n/an/a>5.00E+4n/an/an/an/an/a23



AbbVie Inc.



Assay Description
IC50 values were determined for compounds A-395 and A-395N at 75 nM of EZH2 trimeric complex (EZH2-EED-SUZ12), 3 μM of human nucleosome and 1 &#...


Nat Chem Biol 13: 389-395 (2017)


Article DOI: 10.1038/nchembio.2306
BindingDB Entry DOI: 10.7270/Q2NG4PGD
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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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+
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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))
BDBM50242766
PNG
(CHEMBL500751 | N-(4'-Carboxyphenyl)-1H-4-aminopyra...)
Show SMILES Nc1ncnc2n(ncc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C12H9N5O2/c13-10-9-5-16-17(11(9)15-6-14-10)8-3-1-7(2-4-8)12(18)19/h1-6H,(H,18,19)(H2,13,14,15)
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n/an/a 8.10E+4n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 43: 771-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.002
BindingDB Entry DOI: 10.7270/Q2J102XV
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50242704
PNG
(5-Amino-1-(4'-cyanophenyl)-1H-pyrazole-4-carbonitr...)
Show SMILES Nc1c(cnn1-c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C11H7N5/c12-5-8-1-3-10(4-2-8)16-11(14)9(6-13)7-15-16/h1-4,7H,14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 43: 771-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.002
BindingDB Entry DOI: 10.7270/Q2J102XV
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50242692
PNG
(5-Amino-1-(4'-methoxyphenyl)-1H-pyrazole-4-carboni...)
Show SMILES COc1ccc(cc1)-n1ncc(C#N)c1N
Show InChI InChI=1S/C11H10N4O/c1-16-10-4-2-9(3-5-10)15-11(13)8(6-12)7-14-15/h2-5,7H,13H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 43: 771-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.002
BindingDB Entry DOI: 10.7270/Q2J102XV
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50242779
PNG
(CHEMBL518487 | N-(2'',3'',4'',6''-Tetra-O-acetyl-b...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](Nc2c(cnn2-c2ccc(cc2)C(O)=O)C#N)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Show InChI InChI=1/C25H26N4O11/c1-12(30)36-11-19-20(37-13(2)31)21(38-14(3)32)22(39-15(4)33)24(40-19)28-23-17(9-26)10-27-29(23)18-7-5-16(6-8-18)25(34)35/h5-8,10,19-22,24,28H,11H2,1-4H3,(H,34,35)/t19-,20-,21+,22-,24-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 43: 771-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.002
BindingDB Entry DOI: 10.7270/Q2J102XV
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50242691
PNG
(5-Amino-1-p-tolyl-1H-pyrazole-4-carbonitrile | CHE...)
Show SMILES Cc1ccc(cc1)-n1ncc(C#N)c1N
Show InChI InChI=1S/C11H10N4/c1-8-2-4-10(5-3-8)15-11(13)9(6-12)7-14-15/h2-5,7H,13H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 43: 771-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.002
BindingDB Entry DOI: 10.7270/Q2J102XV
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50242762
PNG
(5-Amino-1-(4'-chlorophenyl)-1H-pyrazole-4-carbonit...)
Show SMILES Nc1c(cnn1-c1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C10H7ClN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)


Eur J Med Chem 43: 771-80 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.002
BindingDB Entry DOI: 10.7270/Q2J102XV
More data for this
Ligand-Target Pair
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