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Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'morelli' and Initial = 'i'   
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
Xanthine dehydrogenase/oxidase


(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 3.00E+3n/an/an/an/an/an/a



Università di Salerno

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry

J Nat Prod 65: 1526-9 (2002)


BindingDB Entry DOI: 10.7270/Q2959H9S
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50260202
PNG
(CHEMBL451090 | myricetin 7-O-alpha-L-rhamnopyranos...)
Show SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)oc(c(O)c4=O)-c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H30O17/c1-7-16(31)20(35)23(38)26(41-7)40-6-14-18(33)21(36)24(39)27(44-14)42-9-4-10(28)15-13(5-9)43-25(22(37)19(15)34)8-2-11(29)17(32)12(30)3-8/h2-5,7,14,16,18,20-21,23-24,26-33,35-39H,6H2,1H3/t7-,14+,16-,18+,20+,21-,23+,24+,26+,27+/m0/s1
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n/an/a 6.13E+3n/an/an/an/an/an/a



Università di Salerno

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry

J Nat Prod 65: 1526-9 (2002)


BindingDB Entry DOI: 10.7270/Q2959H9S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50260201
PNG
(CHEMBL503182 | myricetin 7-O-beta-D-glucopyranosyl...)
Show SMILES OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(c3)oc(-c3cc(O)c(O)c(O)c3)c(O)c4=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C27H30O18/c28-5-13-17(33)20(36)23(39)26(44-13)41-6-14-18(34)21(37)24(40)27(45-14)42-8-3-9(29)15-12(4-8)43-25(22(38)19(15)35)7-1-10(30)16(32)11(31)2-7/h1-4,13-14,17-18,20-21,23-24,26-34,36-40H,5-6H2/t13-,14-,17-,18-,20+,21+,23-,24-,26-,27-/m1/s1
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n/an/a 6.52E+3n/an/an/an/an/an/a



Università di Salerno

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry

J Nat Prod 65: 1526-9 (2002)


BindingDB Entry DOI: 10.7270/Q2959H9S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50022445
PNG
(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(3,4,5-tr...)
Show SMILES CC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O
Show InChI InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-24,26-29H,1H3
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n/an/a 1.47E+4n/an/an/an/an/an/a



Università di Salerno

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry

J Nat Prod 65: 1526-9 (2002)


BindingDB Entry DOI: 10.7270/Q2959H9S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50187133
PNG
(3,4,5-Trihydroxy-benzoic acid methyl ester | CHEMB...)
Show SMILES COC(=O)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3
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n/an/a 1.55E+4n/an/an/an/an/an/a



Università di Salerno

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry

J Nat Prod 65: 1526-9 (2002)


BindingDB Entry DOI: 10.7270/Q2959H9S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50242283
PNG
(3,4-dihydroxymethylbenzoate | CHEMBL486027 | Methy...)
Show SMILES COC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3
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n/an/a 2.96E+4n/an/an/an/an/an/a



Università di Salerno

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry

J Nat Prod 65: 1526-9 (2002)


BindingDB Entry DOI: 10.7270/Q2959H9S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50240383
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-propenal | CHEMBL1729...)
Show SMILES Oc1ccc(\C=C\C=O)cc1O
Show InChI InChI=1S/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H/b2-1+
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n/an/a 3.15E+4n/an/an/an/an/an/a



Università di Salerno

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry

J Nat Prod 65: 1526-9 (2002)


BindingDB Entry DOI: 10.7270/Q2959H9S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50240367
PNG
(3-Hydroxy-4-methoxy-benzaldehyde | 3-hydroxy-4-met...)
Show SMILES COc1ccc(C=O)cc1O
Show InChI InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Università di Salerno

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry

J Nat Prod 65: 1526-9 (2002)


BindingDB Entry DOI: 10.7270/Q2959H9S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50209100
PNG
(4-hydroxymethylbenzoate | CHEMBL325372 | Methyl pa...)
Show SMILES COC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Università di Salerno

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry

J Nat Prod 65: 1526-9 (2002)


BindingDB Entry DOI: 10.7270/Q2959H9S
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM50241354
PNG
(2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-3-(3,4,5-tr...)
Show SMILES OC[C@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-25,27-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Università di Salerno

Curated by ChEMBL


Assay Description
Inhibition of xanthine oxidase (unknown origin)-mediated formation of uric acid by spectrophotometry

J Nat Prod 65: 1526-9 (2002)


BindingDB Entry DOI: 10.7270/Q2959H9S
More data for this
Ligand-Target Pair