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PubMed code 22047696

Compile data set for download or QSAR
Found 17 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


(Homo sapiens (Human))		BDBM50359034
PNG
(CHEMBL1922169)
Show SMILES C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C([C@@H](O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:17|
Show InChI InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-21,32-33H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,19+,20+,21+,28+,29-,30+/m1/s1
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n/an/a 2.28E+4n/an/an/an/an/an/a



Sepuluh Nopember Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometry

Bioorg Med Chem Lett 21: 7295-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.035
BindingDB Entry DOI: 10.7270/Q2FT8MF7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50359040
PNG
(CHEMBL1922174)
Show SMILES C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:17|
Show InChI InChI=1S/C30H46O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-23,32,34-35H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,22+,23+,28+,29-,30+/m1/s1
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n/an/a 4.38E+4n/an/an/an/an/an/a



Sepuluh Nopember Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometry

Bioorg Med Chem Lett 21: 7295-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.035
BindingDB Entry DOI: 10.7270/Q2FT8MF7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50359036
PNG
(CHEMBL1922171)
Show SMILES CC(CC(=O)C=C(C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(O)=O |r,w:5.4,c:14|
Show InChI InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21,23,32,35H,8-9,11-14H2,1-7H3,(H,36,37)/t16?,18-,19+,21+,23+,28+,29-,30+/m1/s1
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n/an/a 1.19E+5n/an/an/an/an/an/a



Sepuluh Nopember Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometry

Bioorg Med Chem Lett 21: 7295-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.035
BindingDB Entry DOI: 10.7270/Q2FT8MF7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50359043
PNG
(CHEMBL1922177)
Show SMILES C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:17|
Show InChI InChI=1S/C32H46O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19-22,27,35-36H,9-14H2,1-8H3,(H,39,40)/t15-,16?,19-,20+,21+,22+,27-,30+,31+,32+/m1/s1
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n/an/a>1.74E+5n/an/an/an/an/an/a



Sepuluh Nopember Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometry

Bioorg Med Chem Lett 21: 7295-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.035
BindingDB Entry DOI: 10.7270/Q2FT8MF7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50359044
PNG
(CHEMBL1922178)
Show SMILES C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O |r,c:17|
Show InChI InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21-22,27,36H,9-14H2,1-8H3,(H,39,40)/t15-,16?,19-,21+,22+,27-,30+,31+,32+/m1/s1
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n/an/a>1.75E+5n/an/an/an/an/an/a



Sepuluh Nopember Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometry

Bioorg Med Chem Lett 21: 7295-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.035
BindingDB Entry DOI: 10.7270/Q2FT8MF7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50359039
PNG
(CHEMBL1922173)
Show SMILES COC(=O)C(C)CC(=O)C=C(C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O |r,w:9.8,c:18|
Show InChI InChI=1S/C31H44O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h11,17,19-20,22,24,33,36H,9-10,12-15H2,1-8H3/t17?,19-,20+,22+,24+,29+,30-,31+/m1/s1
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n/an/a>1.84E+5n/an/an/an/an/an/a



Sepuluh Nopember Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometry

Bioorg Med Chem Lett 21: 7295-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.035
BindingDB Entry DOI: 10.7270/Q2FT8MF7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50359048
PNG
(CHEMBL1922182)
Show SMILES COC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:18|
Show InChI InChI=1S/C31H48O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h16-17,19-20,22-24,33,35-36H,9-15H2,1-8H3/t16-,17-,19-,20+,22+,23+,24+,29+,30-,31+/m1/s1
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n/an/a>1.84E+5n/an/an/an/an/an/a



Sepuluh Nopember Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometry

Bioorg Med Chem Lett 21: 7295-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.035
BindingDB Entry DOI: 10.7270/Q2FT8MF7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50359041
PNG
(CHEMBL1922175)
Show SMILES C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3C(=O)C(=O)[C@]12C |r|
Show InChI InChI=1S/C30H44O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-20,22-23,32-33H,8-13H2,1-7H3,(H,37,38)/t14-,15?,17-,18+,19+,20+,22?,23?,28+,29+,30+/m1/s1
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n/an/a>1.88E+5n/an/an/an/an/an/a



Sepuluh Nopember Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometry

Bioorg Med Chem Lett 21: 7295-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.035
BindingDB Entry DOI: 10.7270/Q2FT8MF7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50359047
PNG
(CHEMBL1922181)
Show SMILES COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C([C@@H](O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:18|
Show InChI InChI=1S/C31H46O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h16-17,19-22,33-34H,9-15H2,1-8H3/t16-,17?,19-,20+,21+,22+,29+,30-,31+/m1/s1
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n/an/a>1.89E+5n/an/an/an/an/an/a



Sepuluh Nopember Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometry

Bioorg Med Chem Lett 21: 7295-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.035
BindingDB Entry DOI: 10.7270/Q2FT8MF7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50356914
PNG
(METHYL GANODERATE A)
Show SMILES COC(=O)C(C)CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:18|
Show InChI InChI=1S/C31H46O7/c1-16(11-18(32)12-17(2)27(37)38-8)19-13-24(36)31(7)26-20(33)14-22-28(3,4)23(35)9-10-29(22,5)25(26)21(34)15-30(19,31)6/h16-17,19-20,22,24,33,36H,9-15H2,1-8H3/t16-,17?,19-,20+,22+,24+,29+,30-,31+/m1/s1
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n/an/a>1.89E+5n/an/an/an/an/an/a



Sepuluh Nopember Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometry

Bioorg Med Chem Lett 21: 7295-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.035
BindingDB Entry DOI: 10.7270/Q2FT8MF7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50359037
PNG
(CHEMBL602899)
Show SMILES C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C(=O)C[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@@H]3O |r,c:17,@:30|
Show InChI InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,23,32,35H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21-,23-,28+,29+,30+/m1/s1
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n/an/a>1.94E+5n/an/an/an/an/an/a



Sepuluh Nopember Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometry

Bioorg Med Chem Lett 21: 7295-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.035
BindingDB Entry DOI: 10.7270/Q2FT8MF7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50359035
PNG
(CHEMBL1922170)
Show SMILES C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3C(C(=O)C(=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O |r|
Show InChI InChI=1S/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19-20,22-23,33H,8-13H2,1-7H3,(H,37,38)/t14-,15?,17-,19+,20+,22?,23?,28+,29+,30+/m1/s1
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n/an/a>1.94E+5n/an/an/an/an/an/a



Sepuluh Nopember Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometry

Bioorg Med Chem Lett 21: 7295-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.035
BindingDB Entry DOI: 10.7270/Q2FT8MF7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50356915
PNG
(GANODERIC ACID B)
Show SMILES C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:17|
Show InChI InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-22,32,34H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,19+,21+,22+,28+,29-,30+/m1/s1
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n/an/a>1.94E+5n/an/an/an/an/an/a



Sepuluh Nopember Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometry

Bioorg Med Chem Lett 21: 7295-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.035
BindingDB Entry DOI: 10.7270/Q2FT8MF7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50359046
PNG
(CHEMBL1922180)
Show SMILES C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O |r,c:17|
Show InChI InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,32H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,28+,29-,30+/m1/s1
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n/an/a>1.94E+5n/an/an/an/an/an/a



Sepuluh Nopember Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometry

Bioorg Med Chem Lett 21: 7295-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.035
BindingDB Entry DOI: 10.7270/Q2FT8MF7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50359038
PNG
(CHEMBL1922172)
Show SMILES C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O |r,c:17|
Show InChI InChI=1S/C30H42O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21,23,35H,8-14H2,1-7H3,(H,36,37)/t15-,16?,18-,21+,23+,28+,29-,30+/m1/s1
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n/an/a>1.94E+5n/an/an/an/an/an/a



Sepuluh Nopember Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometry

Bioorg Med Chem Lett 21: 7295-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.035
BindingDB Entry DOI: 10.7270/Q2FT8MF7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50359045
PNG
(CHEMBL1922179)
Show SMILES CC(CC(=O)C=C(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(O)=O |r,w:5.4,c:14|
Show InChI InChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h10,16,18-19,21,32H,8-9,11-14H2,1-7H3,(H,36,37)/t16?,18-,19+,21+,28+,29-,30+/m1/s1
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n/an/a>1.95E+5n/an/an/an/an/an/a



Sepuluh Nopember Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometry

Bioorg Med Chem Lett 21: 7295-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.035
BindingDB Entry DOI: 10.7270/Q2FT8MF7
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Homo sapiens (Human))		BDBM50359042
PNG
(CHEMBL1922176)
Show SMILES C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 |r,c:17|
Show InChI InChI=1S/C30H46O6/c1-16(12-18(31)13-17(2)26(35)36)20-14-24(34)30(7)19-8-9-22-27(3,4)23(33)10-11-28(22,5)25(19)21(32)15-29(20,30)6/h16-17,20,22-24,33-34H,8-15H2,1-7H3,(H,35,36)/t16-,17?,20-,22+,23+,24+,28+,29-,30-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
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UniChem

Similars
Article
PubMed
n/an/a>1.99E+5n/an/an/an/an/an/a



Sepuluh Nopember Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometry

Bioorg Med Chem Lett 21: 7295-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.035
BindingDB Entry DOI: 10.7270/Q2FT8MF7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%