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PubMed code 8699190

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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
Aldose reductase


(Sus scrofa)
BDBM50292354
PNG
(CHEMBL463755 | Isorhamnetin 3,7-disulfate)
Show SMILES COc1cc(ccc1O)-c1oc2cc(OS([O-])(=O)=O)cc(O)c2c(=O)c1OS([O-])(=O)=O
Show InChI InChI=1S/C16H12O13S2/c1-26-11-4-7(2-3-9(11)17)15-16(29-31(23,24)25)14(19)13-10(18)5-8(6-12(13)27-15)28-30(20,21)22/h2-6,17-18H,1H3,(H,20,21,22)(H,23,24,25)/p-2
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Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Fukuyama University

Curated by ChEMBL


Assay Description
Inhibition of pig lens aldose reductase by spectrophotometry


J Nat Prod 59: 443-5 (1996)


Article DOI: 10.1021/np9601622
BindingDB Entry DOI: 10.7270/Q29Z94X7
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50292357
PNG
(CHEMBL458251 | Tamarixetin 3-glucoside-7-sulfate)
Show SMILES COc1ccc(cc1O)-c1oc2cc(OS([O-])(=O)=O)cc(O)c2c(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C22H22O15S/c1-33-12-3-2-8(4-10(12)24)20-21(36-22-19(29)18(28)16(26)14(7-23)35-22)17(27)15-11(25)5-9(6-13(15)34-20)37-38(30,31)32/h2-6,14,16,18-19,22-26,28-29H,7H2,1H3,(H,30,31,32)/p-1/t14-,16-,18+,19-,22+/m1/s1
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PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Fukuyama University

Curated by ChEMBL


Assay Description
Inhibition of pig lens aldose reductase by spectrophotometry


J Nat Prod 59: 443-5 (1996)


Article DOI: 10.1021/np9601622
BindingDB Entry DOI: 10.7270/Q29Z94X7
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
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
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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PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



Fukuyama University

Curated by ChEMBL


Assay Description
Inhibition of pig lens aldose reductase by spectrophotometry


J Nat Prod 59: 443-5 (1996)


Article DOI: 10.1021/np9601622
BindingDB Entry DOI: 10.7270/Q29Z94X7
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50292356
PNG
(CHEMBL457815 | Rhamnazin-3-sulfate)
Show SMILES COc1cc2oc(-c3ccc(O)c(OC)c3)c(OS([O-])(=O)=O)c(O)c2c(=O)c1
Show InChI InChI=1S/C17H14O10S/c1-24-9-6-11(19)14-13(7-9)26-16(17(15(14)20)27-28(21,22)23)8-3-4-10(18)12(5-8)25-2/h3-7,18,20H,1-2H3,(H,21,22,23)/p-1
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PubMed
n/an/a 3.01E+4n/an/an/an/an/an/a



Fukuyama University

Curated by ChEMBL


Assay Description
Inhibition of pig lens aldose reductase by spectrophotometry


J Nat Prod 59: 443-5 (1996)


Article DOI: 10.1021/np9601622
BindingDB Entry DOI: 10.7270/Q29Z94X7
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
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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PubMed
n/an/a 5.01E+4n/an/an/an/an/an/a



Fukuyama University

Curated by ChEMBL


Assay Description
Inhibition of pig lens aldose reductase by spectrophotometry


J Nat Prod 59: 443-5 (1996)


Article DOI: 10.1021/np9601622
BindingDB Entry DOI: 10.7270/Q29Z94X7
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50292352
PNG
(CHEMBL463753 | potassium 2-(3,4-dihydroxyphenyl)-5...)
Show SMILES Oc1cc2oc(-c3ccc(O)c(O)c3)c(OS([O-])(=O)=O)c(O)c2c(=O)c1
Show InChI InChI=1S/C15H10O10S/c16-7-4-10(19)12-11(5-7)24-14(6-1-2-8(17)9(18)3-6)15(13(12)20)25-26(21,22)23/h1-5,16-18,20H,(H,21,22,23)/p-1
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Article
PubMed
n/an/a 5.09E+4n/an/an/an/an/an/a



Fukuyama University

Curated by ChEMBL


Assay Description
Inhibition of pig lens aldose reductase by spectrophotometry


J Nat Prod 59: 443-5 (1996)


Article DOI: 10.1021/np9601622
BindingDB Entry DOI: 10.7270/Q29Z94X7
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50292353
PNG
(CHEMBL471479 | Percicarin | Persicarin)
Show SMILES COc1cc(ccc1O)-c1oc2cc(O)cc(=O)c2c(O)c1OS([O-])(=O)=O
Show InChI InChI=1S/C16H12O10S/c1-24-11-4-7(2-3-9(11)18)15-16(26-27(21,22)23)14(20)13-10(19)5-8(17)6-12(13)25-15/h2-6,17-18,20H,1H3,(H,21,22,23)/p-1
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PubMed
n/an/a 6.90E+4n/an/an/an/an/an/a



Fukuyama University

Curated by ChEMBL


Assay Description
Inhibition of pig lens aldose reductase by spectrophotometry


J Nat Prod 59: 443-5 (1996)


Article DOI: 10.1021/np9601622
BindingDB Entry DOI: 10.7270/Q29Z94X7
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM50292355
PNG
(CHEMBL457148 | Rhamnazin)
Show SMILES COc1cc(O)c2c(c1)oc(-c1ccc(O)c(OC)c1)c(O)c2=O
Show InChI InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-10(18)12(5-8)23-2/h3-7,18-19,21H,1-2H3
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PubMed
n/an/a>9.10E+4n/an/an/an/an/an/a



Fukuyama University

Curated by ChEMBL


Assay Description
Inhibition of pig lens aldose reductase by spectrophotometry


J Nat Prod 59: 443-5 (1996)


Article DOI: 10.1021/np9601622
BindingDB Entry DOI: 10.7270/Q29Z94X7
More data for this
Ligand-Target Pair
Aldose reductase


(Sus scrofa)
BDBM23409
PNG
(3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-...)
Show SMILES COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
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Article
PubMed
n/an/a>9.50E+4n/an/an/an/an/an/a



Fukuyama University

Curated by ChEMBL


Assay Description
Inhibition of pig lens aldose reductase by spectrophotometry


J Nat Prod 59: 443-5 (1996)


Article DOI: 10.1021/np9601622
BindingDB Entry DOI: 10.7270/Q29Z94X7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%