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PubMed code 1908522

Compile data set for download or QSAR
Found 5 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 (ALR2)


(Bos taurus (Cattle))
BDBM50010062
PNG
(CHEMBL84152 | [(2-Fluoro-6-methoxy-5-trifluorometh...)
Show SMILES COC(=O)N(CC(O)=O)C(=O)c1c(F)ccc2c(c(OC)ccc12)C(F)(F)F
Show InChI InChI=1S/C17H13F4NO6/c1-27-11-6-4-8-9(14(11)17(19,20)21)3-5-10(18)13(8)15(25)22(7-12(23)24)16(26)28-2/h3-6H,7H2,1-2H3,(H,23,24)
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PubMed
n/an/a 25n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase activity of the compound was measured on partially purified bovine lens preparations incubated in presense of 50 mM gl...


J Med Chem 34: 2504-20 (1991)


Article DOI: 10.1021/jm00112a029
BindingDB Entry DOI: 10.7270/Q2H9945P
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM16314
PNG
(2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)
Show SMILES COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22)
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Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
inhibition of aldose reductase activity of the compound was measured on partially purified bovine lens preparations incubated in presense of 50 mM gl...


J Med Chem 34: 2504-20 (1991)


Article DOI: 10.1021/jm00112a029
BindingDB Entry DOI: 10.7270/Q2H9945P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM50009777
PNG
((ponalrestat)[3-(4-Bromo-2-fluoro-benzyl)-4-oxo-3,...)
Show SMILES OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12
Show InChI InChI=1S/C17H12BrFN2O3/c18-11-6-5-10(14(19)7-11)9-21-17(24)13-4-2-1-3-12(13)15(20-21)8-16(22)23/h1-7H,8-9H2,(H,22,23)
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n/an/a 37n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro Inhibition of aldose reductase was measured in isolated partially purified bovine lens preparations at 10e-7 M concentration


J Med Chem 34: 2504-20 (1991)


Article DOI: 10.1021/jm00112a029
BindingDB Entry DOI: 10.7270/Q2H9945P
More data for this
Ligand-Target Pair
Aldose reductase (ALR2)


(Bos taurus (Cattle))
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro % decrease of aldose reductase was measured in isolated partially purified bovine lens preparations at 10e-7 M concentration


J Med Chem 34: 2504-20 (1991)


Article DOI: 10.1021/jm00112a029
BindingDB Entry DOI: 10.7270/Q2H9945P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Bos taurus (Cattle))
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro % decrease of aldose reductase was measured in isolated partially purified bovine lens preparations at 10e-6 M concentration


J Med Chem 34: 2504-20 (1991)


Article DOI: 10.1021/jm00112a029
BindingDB Entry DOI: 10.7270/Q2H9945P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%