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PubMed code 27639366

Compile data set for download or QSAR
Found 41 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


(Rattus norvegicus)
BDBM50208579
PNG
(CHEMBL3883498)
Show SMILES COc1cccc2C=C(COc12)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClN3O3/c1-30-21-6-2-4-16-12-17(14-31-22(16)21)24(29)28-11-3-5-20(28)23-26-13-19(27-23)15-7-9-18(25)10-8-15/h2,4,6-10,12-13,20H,3,5,11,14H2,1H3,(H,26,27)/t20-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208582
PNG
(CHEMBL3884649)
Show SMILES COc1cccc2C=C(COc12)C(=O)NCc1ncc([nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClN3O3/c1-27-18-4-2-3-14-9-15(12-28-20(14)18)21(26)24-11-19-23-10-17(25-19)13-5-7-16(22)8-6-13/h2-10H,11-12H2,1H3,(H,23,25)(H,24,26)
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n/an/a 65n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208488
PNG
(CHEMBL3883431)
Show SMILES COc1cccc2C=C(COc12)C(=O)NCc1ncc([nH]1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H18FN3O3/c1-27-18-4-2-3-14-9-15(12-28-20(14)18)21(26)24-11-19-23-10-17(25-19)13-5-7-16(22)8-6-13/h2-10H,11-12H2,1H3,(H,23,25)(H,24,26)
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n/an/a 71n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208586
PNG
(CHEMBL3883982)
Show SMILES COc1cccc2C=C(COc12)C(=O)NCc1ncc([nH]1)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H18BrN3O3/c1-27-18-4-2-3-14-9-15(12-28-20(14)18)21(26)24-11-19-23-10-17(25-19)13-5-7-16(22)8-6-13/h2-10H,11-12H2,1H3,(H,23,25)(H,24,26)
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n/an/a 91n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208491
PNG
(CHEMBL3884333)
Show SMILES Clc1ccc(cc1)-c1cnc(CNC(=O)C2=Cc3ccccc3OC2)[nH]1
Show InChI InChI=1S/C20H16ClN3O2/c21-16-7-5-13(6-8-16)17-10-22-19(24-17)11-23-20(25)15-9-14-3-1-2-4-18(14)26-12-15/h1-10H,11-12H2,(H,22,24)(H,23,25)
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n/an/a 114n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208490
PNG
(CHEMBL3885395)
Show SMILES COc1cccc2C=C(COc12)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cccnc1
Show InChI InChI=1S/C23H22N4O3/c1-29-20-8-2-5-15-11-17(14-30-21(15)20)23(28)27-10-4-7-19(27)22-25-13-18(26-22)16-6-3-9-24-12-16/h2-3,5-6,8-9,11-13,19H,4,7,10,14H2,1H3,(H,25,26)/t19-/m0/s1
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n/an/a 146n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208578
PNG
(CHEMBL3884033)
Show SMILES CC(C)[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ncc([nH]1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H22BrN3O2/c1-14(2)21(22-25-12-19(26-22)15-7-9-18(24)10-8-15)27-23(28)17-11-16-5-3-4-6-20(16)29-13-17/h3-12,14,21H,13H2,1-2H3,(H,25,26)(H,27,28)/t21-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208587
PNG
(CHEMBL3883594)
Show SMILES O=C(N1CCC[C@H]1c1ncc([nH]1)-c1cccnc1)C1=Cc2ccccc2OC1
Show InChI InChI=1S/C22H20N4O2/c27-22(17-11-15-5-1-2-8-20(15)28-14-17)26-10-4-7-19(26)21-24-13-18(25-21)16-6-3-9-23-12-16/h1-3,5-6,8-9,11-13,19H,4,7,10,14H2,(H,24,25)/t19-/m0/s1
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n/an/a 222n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208492
PNG
(CHEMBL3883606)
Show SMILES COc1ccc(cc1)-c1cnc(CNC(=O)C2=Cc3ccccc3OC2)[nH]1
Show InChI InChI=1S/C21H19N3O3/c1-26-17-8-6-14(7-9-17)18-11-22-20(24-18)12-23-21(25)16-10-15-4-2-3-5-19(15)27-13-16/h2-11H,12-13H2,1H3,(H,22,24)(H,23,25)
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n/an/a 275n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208584
PNG
(CHEMBL3884168)
Show SMILES Clc1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)C1=Cc2ccccc2OC1
Show InChI InChI=1S/C23H20ClN3O2/c24-18-9-7-15(8-10-18)19-13-25-22(26-19)20-5-3-11-27(20)23(28)17-12-16-4-1-2-6-21(16)29-14-17/h1-2,4,6-10,12-13,20H,3,5,11,14H2,(H,25,26)/t20-/m0/s1
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n/an/a 337n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208583
PNG
(CHEMBL3884188)
Show SMILES Fc1ccc(cc1)-c1cnc(CNC(=O)C2=Cc3ccccc3OC2)[nH]1
Show InChI InChI=1S/C20H16FN3O2/c21-16-7-5-13(6-8-16)17-10-22-19(24-17)11-23-20(25)15-9-14-3-1-2-4-18(14)26-12-15/h1-10H,11-12H2,(H,22,24)(H,23,25)
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n/an/a 420n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
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 430n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aldose reductase


(Rattus norvegicus)
BDBM50208572
PNG
(CHEMBL3885392)
Show SMILES COc1cccc2C=C(COc12)C(=O)NCc1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C21H19N3O3/c1-26-18-9-5-8-15-10-16(13-27-20(15)18)21(25)23-12-19-22-11-17(24-19)14-6-3-2-4-7-14/h2-11H,12-13H2,1H3,(H,22,24)(H,23,25)
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n/an/a 731n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208489
PNG
(CHEMBL3883963)
Show SMILES Brc1ccc(cc1)-c1cnc(CNC(=O)C2=Cc3ccccc3OC2)[nH]1
Show InChI InChI=1S/C20H16BrN3O2/c21-16-7-5-13(6-8-16)17-10-22-19(24-17)11-23-20(25)15-9-14-3-1-2-4-18(14)26-12-15/h1-10H,11-12H2,(H,22,24)(H,23,25)
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n/an/a 732n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208486
PNG
(CHEMBL3884131)
Show SMILES COc1cccc2C=C(COc12)C(=O)N[C@@H](C(C)C)c1ncc([nH]1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H24BrN3O3/c1-14(2)21(23-26-12-19(27-23)15-7-9-18(25)10-8-15)28-24(29)17-11-16-5-4-6-20(30-3)22(16)31-13-17/h4-12,14,21H,13H2,1-3H3,(H,26,27)(H,28,29)/t21-/m0/s1
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n/an/a 771n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208581
PNG
(CHEMBL3883612)
Show SMILES COc1ccc(cc1)-c1cnc(CNC(=O)C2=Cc3cccc(OC)c3OC2)[nH]1
Show InChI InChI=1S/C22H21N3O4/c1-27-17-8-6-14(7-9-17)18-11-23-20(25-18)12-24-22(26)16-10-15-4-3-5-19(28-2)21(15)29-13-16/h3-11H,12-13H2,1-2H3,(H,23,25)(H,24,26)
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n/an/a 899n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208576
PNG
(CHEMBL3883976)
Show SMILES COc1cccc2C=C(COc12)C(=O)N[C@@H](C(C)C)c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C24H25N3O3/c1-15(2)21(23-25-13-19(26-23)16-8-5-4-6-9-16)27-24(28)18-12-17-10-7-11-20(29-3)22(17)30-14-18/h4-13,15,21H,14H2,1-3H3,(H,25,26)(H,27,28)/t21-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208572
PNG
(CHEMBL3885392)
Show SMILES COc1cccc2C=C(COc12)C(=O)NCc1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C21H19N3O3/c1-26-18-9-5-8-15-10-16(13-27-20(15)18)21(25)23-12-19-22-11-17(24-19)14-6-3-2-4-7-14/h2-11H,12-13H2,1H3,(H,22,24)(H,23,25)
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n/an/a 1.22E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208581
PNG
(CHEMBL3883612)
Show SMILES COc1ccc(cc1)-c1cnc(CNC(=O)C2=Cc3cccc(OC)c3OC2)[nH]1
Show InChI InChI=1S/C22H21N3O4/c1-27-17-8-6-14(7-9-17)18-11-23-20(25-18)12-24-22(26)16-10-15-4-3-5-19(28-2)21(15)29-13-16/h3-11H,12-13H2,1-2H3,(H,23,25)(H,24,26)
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n/an/a 1.31E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208490
PNG
(CHEMBL3885395)
Show SMILES COc1cccc2C=C(COc12)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1cccnc1
Show InChI InChI=1S/C23H22N4O3/c1-29-20-8-2-5-15-11-17(14-30-21(15)20)23(28)27-10-4-7-19(27)22-25-13-18(26-22)16-6-3-9-24-12-16/h2-3,5-6,8-9,11-13,19H,4,7,10,14H2,1H3,(H,25,26)/t19-/m0/s1
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n/an/a 1.42E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208582
PNG
(CHEMBL3884649)
Show SMILES COc1cccc2C=C(COc12)C(=O)NCc1ncc([nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClN3O3/c1-27-18-4-2-3-14-9-15(12-28-20(14)18)21(26)24-11-19-23-10-17(25-19)13-5-7-16(22)8-6-13/h2-10H,11-12H2,1H3,(H,23,25)(H,24,26)
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n/an/a 1.44E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208586
PNG
(CHEMBL3883982)
Show SMILES COc1cccc2C=C(COc12)C(=O)NCc1ncc([nH]1)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H18BrN3O3/c1-27-18-4-2-3-14-9-15(12-28-20(14)18)21(26)24-11-19-23-10-17(25-19)13-5-7-16(22)8-6-13/h2-10H,11-12H2,1H3,(H,23,25)(H,24,26)
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n/an/a 1.56E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208488
PNG
(CHEMBL3883431)
Show SMILES COc1cccc2C=C(COc12)C(=O)NCc1ncc([nH]1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H18FN3O3/c1-27-18-4-2-3-14-9-15(12-28-20(14)18)21(26)24-11-19-23-10-17(25-19)13-5-7-16(22)8-6-13/h2-10H,11-12H2,1H3,(H,23,25)(H,24,26)
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n/an/a 1.62E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208580
PNG
(CHEMBL3884074)
Show SMILES COc1cccc2C=C(COc12)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C24H23N3O3/c1-29-21-11-5-9-17-13-18(15-30-22(17)21)24(28)27-12-6-10-20(27)23-25-14-19(26-23)16-7-3-2-4-8-16/h2-5,7-9,11,13-14,20H,6,10,12,15H2,1H3,(H,25,26)/t20-/m0/s1
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n/an/a 1.83E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208583
PNG
(CHEMBL3884188)
Show SMILES Fc1ccc(cc1)-c1cnc(CNC(=O)C2=Cc3ccccc3OC2)[nH]1
Show InChI InChI=1S/C20H16FN3O2/c21-16-7-5-13(6-8-16)17-10-22-19(24-17)11-23-20(25)15-9-14-3-1-2-4-18(14)26-12-15/h1-10H,11-12H2,(H,22,24)(H,23,25)
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n/an/a 1.84E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208575
PNG
(CHEMBL3884072)
Show SMILES O=C(NCc1ncc([nH]1)-c1ccccc1)C1=Cc2ccccc2OC1
Show InChI InChI=1S/C20H17N3O2/c24-20(16-10-15-8-4-5-9-18(15)25-13-16)22-12-19-21-11-17(23-19)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,23)(H,22,24)
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n/an/a 2.12E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208578
PNG
(CHEMBL3884033)
Show SMILES CC(C)[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ncc([nH]1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H22BrN3O2/c1-14(2)21(22-25-12-19(26-22)15-7-9-18(24)10-8-15)27-23(28)17-11-16-5-3-4-6-20(16)29-13-17/h3-12,14,21H,13H2,1-2H3,(H,25,26)(H,27,28)/t21-/m0/s1
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n/an/a 2.28E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208491
PNG
(CHEMBL3884333)
Show SMILES Clc1ccc(cc1)-c1cnc(CNC(=O)C2=Cc3ccccc3OC2)[nH]1
Show InChI InChI=1S/C20H16ClN3O2/c21-16-7-5-13(6-8-16)17-10-22-19(24-17)11-23-20(25)15-9-14-3-1-2-4-18(14)26-12-15/h1-10H,11-12H2,(H,22,24)(H,23,25)
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n/an/a 2.42E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208587
PNG
(CHEMBL3883594)
Show SMILES O=C(N1CCC[C@H]1c1ncc([nH]1)-c1cccnc1)C1=Cc2ccccc2OC1
Show InChI InChI=1S/C22H20N4O2/c27-22(17-11-15-5-1-2-8-20(15)28-14-17)26-10-4-7-19(26)21-24-13-18(25-21)16-6-3-9-23-12-16/h1-3,5-6,8-9,11-13,19H,4,7,10,14H2,(H,24,25)/t19-/m0/s1
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n/an/a 2.43E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208492
PNG
(CHEMBL3883606)
Show SMILES COc1ccc(cc1)-c1cnc(CNC(=O)C2=Cc3ccccc3OC2)[nH]1
Show InChI InChI=1S/C21H19N3O3/c1-26-17-8-6-14(7-9-17)18-11-22-20(24-18)12-23-21(25)16-10-15-4-2-3-5-19(15)27-13-16/h2-11H,12-13H2,1H3,(H,22,24)(H,23,25)
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n/an/a 2.54E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208580
PNG
(CHEMBL3884074)
Show SMILES COc1cccc2C=C(COc12)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C24H23N3O3/c1-29-21-11-5-9-17-13-18(15-30-22(17)21)24(28)27-12-6-10-20(27)23-25-14-19(26-23)16-7-3-2-4-8-16/h2-5,7-9,11,13-14,20H,6,10,12,15H2,1H3,(H,25,26)/t20-/m0/s1
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n/an/a 3.07E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208489
PNG
(CHEMBL3883963)
Show SMILES Brc1ccc(cc1)-c1cnc(CNC(=O)C2=Cc3ccccc3OC2)[nH]1
Show InChI InChI=1S/C20H16BrN3O2/c21-16-7-5-13(6-8-16)17-10-22-19(24-17)11-23-20(25)15-9-14-3-1-2-4-18(14)26-12-15/h1-10H,11-12H2,(H,22,24)(H,23,25)
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n/an/a 3.38E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208486
PNG
(CHEMBL3884131)
Show SMILES COc1cccc2C=C(COc12)C(=O)N[C@@H](C(C)C)c1ncc([nH]1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H24BrN3O3/c1-14(2)21(23-26-12-19(27-23)15-7-9-18(25)10-8-15)28-24(29)17-11-16-5-4-6-20(30-3)22(16)31-13-17/h4-12,14,21H,13H2,1-3H3,(H,26,27)(H,28,29)/t21-/m0/s1
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n/an/a 3.41E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208579
PNG
(CHEMBL3883498)
Show SMILES COc1cccc2C=C(COc12)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClN3O3/c1-30-21-6-2-4-16-12-17(14-31-22(16)21)24(29)28-11-3-5-20(28)23-26-13-19(27-23)15-7-9-18(25)10-8-15/h2,4,6-10,12-13,20H,3,5,11,14H2,1H3,(H,26,27)/t20-/m0/s1
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n/an/a 3.42E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208585
PNG
(CHEMBL3885343)
Show SMILES O=C(N1CCC[C@H]1c1ncc([nH]1)-c1ccccc1)C1=Cc2ccccc2OC1
Show InChI InChI=1S/C23H21N3O2/c27-23(18-13-17-9-4-5-11-21(17)28-15-18)26-12-6-10-20(26)22-24-14-19(25-22)16-7-2-1-3-8-16/h1-5,7-9,11,13-14,20H,6,10,12,15H2,(H,24,25)/t20-/m0/s1
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n/an/a 3.67E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208584
PNG
(CHEMBL3884168)
Show SMILES Clc1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)C1=Cc2ccccc2OC1
Show InChI InChI=1S/C23H20ClN3O2/c24-18-9-7-15(8-10-18)19-13-25-22(26-19)20-5-3-11-27(20)23(28)17-12-16-4-1-2-6-21(16)29-14-17/h1-2,4,6-10,12-13,20H,3,5,11,14H2,(H,25,26)/t20-/m0/s1
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n/an/a 3.88E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208487
PNG
(CHEMBL3885001)
Show SMILES CC(C)[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C23H23N3O2/c1-15(2)21(22-24-13-19(25-22)16-8-4-3-5-9-16)26-23(27)18-12-17-10-6-7-11-20(17)28-14-18/h3-13,15,21H,14H2,1-2H3,(H,24,25)(H,26,27)/t21-/m0/s1
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n/an/a 4.29E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat lenses ALR2 using DL-glyceraldehyde as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208576
PNG
(CHEMBL3883976)
Show SMILES COc1cccc2C=C(COc12)C(=O)N[C@@H](C(C)C)c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C24H25N3O3/c1-15(2)21(23-25-13-19(26-23)16-8-5-4-6-9-16)27-24(28)18-12-17-10-7-11-20(29-3)22(17)30-14-18/h4-13,15,21H,14H2,1-3H3,(H,25,26)(H,27,28)/t21-/m0/s1
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n/an/a 4.87E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208575
PNG
(CHEMBL3884072)
Show SMILES O=C(NCc1ncc([nH]1)-c1ccccc1)C1=Cc2ccccc2OC1
Show InChI InChI=1S/C20H17N3O2/c24-20(16-10-15-8-4-5-9-18(15)25-13-16)22-12-19-21-11-17(23-19)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,23)(H,22,24)
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n/an/a 5.19E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208585
PNG
(CHEMBL3885343)
Show SMILES O=C(N1CCC[C@H]1c1ncc([nH]1)-c1ccccc1)C1=Cc2ccccc2OC1
Show InChI InChI=1S/C23H21N3O2/c27-23(18-13-17-9-4-5-11-21(17)28-15-18)26-12-6-10-20(26)22-24-14-19(25-22)16-7-2-1-3-8-16/h1-5,7-9,11,13-14,20H,6,10,12,15H2,(H,24,25)/t20-/m0/s1
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n/an/a 5.72E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50208487
PNG
(CHEMBL3885001)
Show SMILES CC(C)[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ncc([nH]1)-c1ccccc1
Show InChI InChI=1S/C23H23N3O2/c1-15(2)21(22-24-13-19(25-22)16-8-4-3-5-9-16)26-23(27)18-12-17-10-6-7-11-20(17)28-14-18/h3-13,15,21H,14H2,1-2H3,(H,24,25)(H,26,27)/t21-/m0/s1
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n/an/a 9.41E+3n/an/an/an/an/an/a



Osmania University

Curated by ChEMBL


Assay Description
Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 10 mins followed by substrate addition measured for 4 mins


Eur J Med Chem 124: 750-762 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.070
BindingDB Entry DOI: 10.7270/Q2NZ89NF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%