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PubMed code 26331986

Compile data set for download or QSAR
Found 6 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
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50115820
PNG
(CHEMBL3608478)
Show SMILES COc1cc(OC)cc(c1)-c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 |r|
Show InChI InChI=1S/C20H24O9/c1-26-12-5-11(6-13(8-12)27-2)10-3-4-14(22)15(7-10)28-20-19(25)18(24)17(23)16(9-21)29-20/h3-8,16-25H,9H2,1-2H3/t16-,17-,18+,19-,20-/m1/s1
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PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Institute of Oriental Medicine

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat lense aldose reductase using DL-glyceraldehyde as substrate by spectrofluorometric analysis


J Nat Prod 78: 2249-54 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00469
BindingDB Entry DOI: 10.7270/Q2Z321FB
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50115821
PNG
(CHEMBL3608477)
Show SMILES COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(c1)-c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C19H22O9/c1-26-11-4-10(9-2-3-13(21)14(22)6-9)5-12(7-11)27-19-18(25)17(24)16(23)15(8-20)28-19/h2-7,15-25H,8H2,1H3/t15-,16-,17+,18-,19-/m1/s1
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PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Institute of Oriental Medicine

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat lense aldose reductase using DL-glyceraldehyde as substrate by spectrofluorometric analysis


J Nat Prod 78: 2249-54 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00469
BindingDB Entry DOI: 10.7270/Q2Z321FB
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50115822
PNG
(CHEMBL3608476)
Show SMILES COc1cc(O)cc(c1)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C13H12O4/c1-17-11-5-9(4-10(14)7-11)8-2-3-12(15)13(16)6-8/h2-7,14-16H,1H3
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n/an/a 1.38E+4n/an/an/an/an/an/a



Institute of Oriental Medicine

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat lense aldose reductase using DL-glyceraldehyde as substrate by spectrofluorometric analysis


J Nat Prod 78: 2249-54 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00469
BindingDB Entry DOI: 10.7270/Q2Z321FB
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50022418
PNG
((1-Carboxymethyl-cyclopentyl)-acetic acid(TMG) | 3...)
Show SMILES OC(=O)CC1(CC(O)=O)CCCC1
Show InChI InChI=1S/C9H14O4/c10-7(11)5-9(6-8(12)13)3-1-2-4-9/h1-6H2,(H,10,11)(H,12,13)
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n/an/a 2.87E+4n/an/an/an/an/an/a



Institute of Oriental Medicine

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat lense aldose reductase using DL-glyceraldehyde as substrate by spectrofluorometric analysis


J Nat Prod 78: 2249-54 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00469
BindingDB Entry DOI: 10.7270/Q2Z321FB
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50115818
PNG
(CHEBI:68176 | Huazhongilexin)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1O[C@@H]([C@@H](CO)[C@@H]1CO)c1cc(OC)c(O)c(OC)c1 |r|
Show InChI InChI=1S/C22H28O9/c1-27-15-5-11(6-16(28-2)19(15)25)21-13(9-23)14(10-24)22(31-21)12-7-17(29-3)20(26)18(8-12)30-4/h5-8,13-14,21-26H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute of Oriental Medicine

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat lense aldose reductase using DL-glyceraldehyde as substrate by spectrofluorometric analysis


J Nat Prod 78: 2249-54 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00469
BindingDB Entry DOI: 10.7270/Q2Z321FB
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50115819
PNG
(CHEMBL3608479)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1O[C@@H]([C@@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H]1CO)c1cc(OC)c(O)c(OC)c1 |r|
Show InChI InChI=1S/C28H38O13/c1-12-21(30)24(33)25(34)28(40-12)39-11-16-15(10-29)26(13-6-17(35-2)22(31)18(7-13)36-3)41-27(16)14-8-19(37-4)23(32)20(9-14)38-5/h6-9,12,15-16,21,24-34H,10-11H2,1-5H3/t12-,15-,16-,21-,24+,25+,26+,27+,28+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute of Oriental Medicine

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat lense aldose reductase using DL-glyceraldehyde as substrate by spectrofluorometric analysis


J Nat Prod 78: 2249-54 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00469
BindingDB Entry DOI: 10.7270/Q2Z321FB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%